smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1SCCc2sccc21 ZINC000175807476 823045022 /nfs/dbraw/zinc/04/50/22/823045022.db2.gz JXSZDEQQFSZXIR-INIZCTEOSA-N 0 0 386.458 4.016 20 5 GIBDRN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000570492872 823045756 /nfs/dbraw/zinc/04/57/56/823045756.db2.gz DRLGVYJQAZORKB-CYBMUJFWSA-N 0 0 391.349 4.227 20 5 GIBDRN Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1NC(=O)c1ccccc1 ZINC000055803331 823046053 /nfs/dbraw/zinc/04/60/53/823046053.db2.gz HBRYQMFVEHLVHS-UHFFFAOYSA-N 0 0 389.411 4.337 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000055804096 823046236 /nfs/dbraw/zinc/04/62/36/823046236.db2.gz QIQGFRMFPBESFV-UHFFFAOYSA-N 0 0 389.839 4.195 20 5 GIBDRN CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000175818160 823047226 /nfs/dbraw/zinc/04/72/26/823047226.db2.gz YMDMSXJWWLTVJY-ZDUSSCGKSA-N 0 0 376.840 4.350 20 5 GIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175832931 823050461 /nfs/dbraw/zinc/05/04/61/823050461.db2.gz PFSQKVJNAWXPJT-UHFFFAOYSA-N 0 0 384.779 4.391 20 5 GIBDRN COc1ccc(C(NCc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000055840835 823051609 /nfs/dbraw/zinc/05/16/09/823051609.db2.gz MISJUZLZNNUZQR-UHFFFAOYSA-N 0 0 378.428 4.491 20 5 GIBDRN Cc1cc(C)c(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 ZINC000055843377 823051933 /nfs/dbraw/zinc/05/19/33/823051933.db2.gz NBHXTTSIQXZLMU-UHFFFAOYSA-N 0 0 379.363 4.172 20 5 GIBDRN C[C@@H](OC(=O)C1(c2ccc(F)cc2F)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120738249 823055070 /nfs/dbraw/zinc/05/50/70/823055070.db2.gz YQJSEBPYTMEGIR-CYBMUJFWSA-N 0 0 391.370 4.226 20 5 GIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187403673 823056636 /nfs/dbraw/zinc/05/66/36/823056636.db2.gz WRHFLUQVJUFJFV-UHFFFAOYSA-N 0 0 383.448 4.417 20 5 GIBDRN CC[C@H](CN(CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000187405402 823056844 /nfs/dbraw/zinc/05/68/44/823056844.db2.gz DBRKWLRIYQACRB-OAHLLOKOSA-N 0 0 386.448 4.268 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175862181 823057845 /nfs/dbraw/zinc/05/78/45/823057845.db2.gz KIUUKFLNFZXATI-OLZOCXBDSA-N 0 0 375.400 4.172 20 5 GIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000570603859 823060958 /nfs/dbraw/zinc/06/09/58/823060958.db2.gz FDVDQWPXUMKUPA-UHFFFAOYSA-N 0 0 396.321 4.005 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000175877605 823062058 /nfs/dbraw/zinc/06/20/58/823062058.db2.gz DGYYPGVKCREYGO-JTQLQIEISA-N 0 0 398.282 4.288 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CCCOC3)cc2[N+](=O)[O-])cc1 ZINC000055919925 823066928 /nfs/dbraw/zinc/06/69/28/823066928.db2.gz LDFZGMFXFIYNQA-OAHLLOKOSA-N 0 0 386.473 4.211 20 5 GIBDRN C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000175900677 823067443 /nfs/dbraw/zinc/06/74/43/823067443.db2.gz HRDGVBLVFVPQSQ-QMMMGPOBSA-N 0 0 385.164 4.127 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187471944 823070071 /nfs/dbraw/zinc/07/00/71/823070071.db2.gz VQPUPQCFNNNKHR-LBPRGKRZSA-N 0 0 380.778 4.085 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Br)c1Cl ZINC000570699655 823073074 /nfs/dbraw/zinc/07/30/74/823073074.db2.gz NIWKNVLDWCEIID-UHFFFAOYSA-N 0 0 398.644 4.375 20 5 GIBDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458693323 823075006 /nfs/dbraw/zinc/07/50/06/823075006.db2.gz QMVJFWSLZATJIF-GOEBONIOSA-N 0 0 387.402 4.461 20 5 GIBDRN CCOc1cc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC ZINC000570755802 823081497 /nfs/dbraw/zinc/08/14/97/823081497.db2.gz YXOHHFWOMCERTH-WDEREUQCSA-N 0 0 390.358 4.309 20 5 GIBDRN CCC(CC)[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccs1 ZINC000056008035 823078346 /nfs/dbraw/zinc/07/83/46/823078346.db2.gz OYHXMHHPMUXKDO-SFHVURJKSA-N 0 0 399.476 4.144 20 5 GIBDRN CCOc1cc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC ZINC000570755800 823081558 /nfs/dbraw/zinc/08/15/58/823081558.db2.gz YXOHHFWOMCERTH-MNOVXSKESA-N 0 0 390.358 4.309 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCCN(Cc2cscn2)CC1 ZINC000570749436 823080623 /nfs/dbraw/zinc/08/06/23/823080623.db2.gz PIOUVBYWVQMNRQ-UHFFFAOYSA-N 0 0 387.292 4.070 20 5 GIBDRN CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056056429 823081797 /nfs/dbraw/zinc/08/17/97/823081797.db2.gz QZFLWTDYHDQZGR-LBPRGKRZSA-N 0 0 398.868 4.029 20 5 GIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570771062 823084738 /nfs/dbraw/zinc/08/47/38/823084738.db2.gz HTNVXAOWGGOKEM-VFVRVIDISA-N 0 0 376.840 4.244 20 5 GIBDRN Cc1c(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000056132073 823086271 /nfs/dbraw/zinc/08/62/71/823086271.db2.gz XHGRXTKHLIYMCR-IBGZPJMESA-N 0 0 378.432 4.157 20 5 GIBDRN O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176002760 823092808 /nfs/dbraw/zinc/09/28/08/823092808.db2.gz OWPHYBSSDMUHQZ-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN C[C@H](c1ccco1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000176020580 823097631 /nfs/dbraw/zinc/09/76/31/823097631.db2.gz VDPBHMGMOMWTQU-LLVKDONJSA-N 0 0 393.237 4.245 20 5 GIBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000120968518 823094690 /nfs/dbraw/zinc/09/46/90/823094690.db2.gz SOKXURRWSWHPOB-SECBINFHSA-N 0 0 398.282 4.264 20 5 GIBDRN Cc1ccc(O[C@@H](C)CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000570857984 823097126 /nfs/dbraw/zinc/09/71/26/823097126.db2.gz SPCMDBYNKHRCOA-LBPRGKRZSA-N 0 0 382.338 4.119 20 5 GIBDRN CC(C)C(=O)Nc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000570859547 823097316 /nfs/dbraw/zinc/09/73/16/823097316.db2.gz XJAQRBWNMMVHOU-UHFFFAOYSA-N 0 0 395.337 4.460 20 5 GIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176022633 823098325 /nfs/dbraw/zinc/09/83/25/823098325.db2.gz CTQBGGRXVDKPIB-NWDGAFQWSA-N 0 0 387.299 4.104 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000121026666 823105306 /nfs/dbraw/zinc/10/53/06/823105306.db2.gz FVFRWKKZSXGDET-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN O=C(Nc1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccco1 ZINC000121037927 823106829 /nfs/dbraw/zinc/10/68/29/823106829.db2.gz SLYPDFDXVRZWFU-UHFFFAOYSA-N 0 0 391.383 4.033 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(C)c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000056225258 823107218 /nfs/dbraw/zinc/10/72/18/823107218.db2.gz OJIIWKBHMDZGFY-UHFFFAOYSA-N 0 0 378.384 4.201 20 5 GIBDRN Cc1nc(COc2ccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)cc2)no1 ZINC000187660405 823107526 /nfs/dbraw/zinc/10/75/26/823107526.db2.gz AGZRBJDGRJOWIV-UHFFFAOYSA-N 0 0 396.403 4.241 20 5 GIBDRN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000056226828 823107875 /nfs/dbraw/zinc/10/78/75/823107875.db2.gz LALSNFRTSYOUKB-UHFFFAOYSA-N 0 0 378.378 4.096 20 5 GIBDRN Cc1cc(C)n(-c2ccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cc2F)n1 ZINC000121060516 823111103 /nfs/dbraw/zinc/11/11/03/823111103.db2.gz VRGRIOFLQZPBBK-UHFFFAOYSA-N 0 0 394.406 4.129 20 5 GIBDRN Cc1nc(CCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)oc1-c1ccccc1 ZINC000121065405 823111763 /nfs/dbraw/zinc/11/17/63/823111763.db2.gz MDTPXYMLAHDEIW-UHFFFAOYSA-N 0 0 391.427 4.470 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000176069138 823112026 /nfs/dbraw/zinc/11/20/26/823112026.db2.gz CHIMOPIPFNVFAG-DOTOQJQBSA-N 0 0 389.452 4.270 20 5 GIBDRN Cc1sc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000056249292 823112225 /nfs/dbraw/zinc/11/22/25/823112225.db2.gz CQYFRALZMMUFTD-UHFFFAOYSA-N 0 0 380.838 4.389 20 5 GIBDRN O=C(c1cnc(-c2ccccc2F)s1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121070859 823112937 /nfs/dbraw/zinc/11/29/37/823112937.db2.gz CUNJFJNAHRAYMZ-UHFFFAOYSA-N 0 0 383.404 4.450 20 5 GIBDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000056274227 823118277 /nfs/dbraw/zinc/11/82/77/823118277.db2.gz FUINZGHWYRGZSH-HNNXBMFYSA-N 0 0 390.823 4.367 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1sccc1Br ZINC000056288312 823121804 /nfs/dbraw/zinc/12/18/04/823121804.db2.gz YURZTQSNPXYSPG-UHFFFAOYSA-N 0 0 383.267 4.470 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1-c1ccccc1 ZINC000056288171 823121838 /nfs/dbraw/zinc/12/18/38/823121838.db2.gz TZUVSGACWMFNAT-UHFFFAOYSA-N 0 0 378.432 4.140 20 5 GIBDRN COc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000176115166 823125060 /nfs/dbraw/zinc/12/50/60/823125060.db2.gz YMFAFUUSIAHIEL-LBPRGKRZSA-N 0 0 375.352 4.010 20 5 GIBDRN CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)cc21 ZINC000187770641 823129695 /nfs/dbraw/zinc/12/96/95/823129695.db2.gz AIOYCJMPNWTTQE-UHFFFAOYSA-N 0 0 396.447 4.063 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cnn(CC(C)C)c2C(F)F)cc1[N+](=O)[O-] ZINC000121165301 823130815 /nfs/dbraw/zinc/13/08/15/823130815.db2.gz POJYUCYATOKFTP-LBPRGKRZSA-N 0 0 380.395 4.184 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccsc3)CC2)cc1SC ZINC000187800887 823136029 /nfs/dbraw/zinc/13/60/29/823136029.db2.gz GYADUWOZJBZASR-UHFFFAOYSA-N 0 0 392.502 4.407 20 5 GIBDRN CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000176153841 823137792 /nfs/dbraw/zinc/13/77/92/823137792.db2.gz MNJYFLOKTQEDJO-CYBMUJFWSA-N 0 0 377.466 4.118 20 5 GIBDRN CCOc1ccccc1N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000121214745 823139994 /nfs/dbraw/zinc/13/99/94/823139994.db2.gz TUVSAEIUJDDNQG-UHFFFAOYSA-N 0 0 398.337 4.211 20 5 GIBDRN COC[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000571197103 823147026 /nfs/dbraw/zinc/14/70/26/823147026.db2.gz ZCKRADJODZADBQ-INIZCTEOSA-N 0 0 398.246 4.089 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c1[N+](=O)[O-] ZINC000176184515 823147614 /nfs/dbraw/zinc/14/76/14/823147614.db2.gz LUZXFGUVDVLTIQ-UHFFFAOYSA-N 0 0 391.362 4.029 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000121256980 823149276 /nfs/dbraw/zinc/14/92/76/823149276.db2.gz BHNYJTOSJHQENN-FUHWJXTLSA-N 0 0 398.459 4.143 20 5 GIBDRN CN(c1ccccc1)c1ccc(CNc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000571211072 823149362 /nfs/dbraw/zinc/14/93/62/823149362.db2.gz YVHBJUPSKMESKZ-UHFFFAOYSA-N 0 0 377.448 4.008 20 5 GIBDRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000121282460 823154210 /nfs/dbraw/zinc/15/42/10/823154210.db2.gz YYUVCWCBCJPUPO-VIFPVBQESA-N 0 0 386.738 4.256 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000176213534 823154306 /nfs/dbraw/zinc/15/43/06/823154306.db2.gz YGEIONPUNQIMDY-FQEVSTJZSA-N 0 0 397.431 4.256 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176213326 823154323 /nfs/dbraw/zinc/15/43/23/823154323.db2.gz DOQKRAUSNWBZON-UHFFFAOYSA-N 0 0 378.388 4.094 20 5 GIBDRN O=C(NC1CCC(C(F)F)CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459273852 823155035 /nfs/dbraw/zinc/15/50/35/823155035.db2.gz HWMRBFJSIPCVBQ-PCKAHOCUSA-N 0 0 381.423 4.308 20 5 GIBDRN C[C@@H](NC(=O)NCc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000056483654 823158114 /nfs/dbraw/zinc/15/81/14/823158114.db2.gz ZQDRUOYKIYODFI-SNVBAGLBSA-N 0 0 396.216 4.057 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC(OCC)C2)C1 ZINC000571271253 823158655 /nfs/dbraw/zinc/15/86/55/823158655.db2.gz ILHJMCYNLKAUJL-UHFFFAOYSA-N 0 0 378.494 4.128 20 5 GIBDRN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000187929135 823159552 /nfs/dbraw/zinc/15/95/52/823159552.db2.gz JTAHNXQRGDMUGP-UHFFFAOYSA-N 0 0 377.400 4.033 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176248225 823162716 /nfs/dbraw/zinc/16/27/16/823162716.db2.gz VILNYSRZSGCCML-IUODEOHRSA-N 0 0 380.853 4.038 20 5 GIBDRN Cc1c(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000056546383 823166080 /nfs/dbraw/zinc/16/60/80/823166080.db2.gz OTCWENAIRXTGTP-UHFFFAOYSA-N 0 0 396.447 4.354 20 5 GIBDRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000121379882 823174156 /nfs/dbraw/zinc/17/41/56/823174156.db2.gz HTHYBDZXXRRSAS-UHFFFAOYSA-N 0 0 396.230 4.294 20 5 GIBDRN O=C(Nc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)C1CC1 ZINC000121384355 823174633 /nfs/dbraw/zinc/17/46/33/823174633.db2.gz XXELRVMNMRULTR-UHFFFAOYSA-N 0 0 394.431 4.140 20 5 GIBDRN CCOc1ccccc1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121395147 823176703 /nfs/dbraw/zinc/17/67/03/823176703.db2.gz OOMFCOFYSOSHRW-UHFFFAOYSA-N 0 0 379.210 4.033 20 5 GIBDRN C[C@@H]1CSc2ccccc2N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000571441623 823183010 /nfs/dbraw/zinc/18/30/10/823183010.db2.gz XWSYULOXGRTUQB-NSHDSACASA-N 0 0 378.400 4.191 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl ZINC000121442236 823185218 /nfs/dbraw/zinc/18/52/18/823185218.db2.gz LYDIXPKEZZMRNG-UHFFFAOYSA-N 0 0 384.617 4.061 20 5 GIBDRN O=C(NC1(c2nccs2)CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121451075 823186971 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ZINC000012226098 818147408 /nfs/dbraw/zinc/14/74/08/818147408.db2.gz OBJPPJDITMGAHY-UHFFFAOYSA-N 0 0 393.321 4.214 20 5 GIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCc4sccc4C3)cc2[N+](=O)[O-])C1 ZINC000012215975 818147482 /nfs/dbraw/zinc/14/74/82/818147482.db2.gz YUMNSEOQUCCJFU-CQSZACIVSA-N 0 0 385.489 4.091 20 5 GIBDRN COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000057622671 823316045 /nfs/dbraw/zinc/31/60/45/823316045.db2.gz GUYPJNHTXSZHMF-QFIPXVFZSA-N 0 0 376.412 4.052 20 5 GIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1ccc([N+](=O)[O-])cc1 ZINC000012268388 818151807 /nfs/dbraw/zinc/15/18/07/818151807.db2.gz SOCKQOOVGUUMMO-UHFFFAOYSA-N 0 0 388.326 4.204 20 5 GIBDRN CCOc1cc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000012396046 818157386 /nfs/dbraw/zinc/15/73/86/818157386.db2.gz UPEAZSMZVPLTOA-UHFFFAOYSA-N 0 0 396.443 4.240 20 5 GIBDRN Cc1c(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000012512201 818165336 /nfs/dbraw/zinc/16/53/36/818165336.db2.gz RNXLGZJHVRDHAX-FQEVSTJZSA-N 0 0 390.395 4.440 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012623918 818172405 /nfs/dbraw/zinc/17/24/05/818172405.db2.gz VWHASUOEMABXET-NSHDSACASA-N 0 0 384.379 4.411 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000409824382 823317523 /nfs/dbraw/zinc/31/75/23/823317523.db2.gz UVCUUTPNVNDIEH-CABCVRRESA-N 0 0 395.242 4.330 20 5 GIBDRN Cc1ccc(-c2nnc([C@H](C)N3CCc4ccc([N+](=O)[O-])cc4C3)o2)cc1C ZINC000122181119 823317626 /nfs/dbraw/zinc/31/76/26/823317626.db2.gz QZCAAILFBDFJNZ-HNNXBMFYSA-N 0 0 378.432 4.381 20 5 GIBDRN CC(C)c1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc(=O)[nH]1 ZINC000122187023 823318618 /nfs/dbraw/zinc/31/86/18/823318618.db2.gz GIPOCJSXOZIJQQ-UHFFFAOYSA-N 0 0 398.444 4.219 20 5 GIBDRN Cc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000012933768 818194538 /nfs/dbraw/zinc/19/45/38/818194538.db2.gz DOYPCKFGBZHGEP-CYBMUJFWSA-N 0 0 390.823 4.060 20 5 GIBDRN Cc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000013159853 818204183 /nfs/dbraw/zinc/20/41/83/818204183.db2.gz JKNDYFZCIDGWPA-HNNXBMFYSA-N 0 0 392.411 4.091 20 5 GIBDRN CN(C(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000057682047 823321031 /nfs/dbraw/zinc/32/10/31/823321031.db2.gz WRWILTOKFLWZGF-UHFFFAOYSA-N 0 0 392.411 4.216 20 5 GIBDRN CC(C)(C)OC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000460220081 823321495 /nfs/dbraw/zinc/32/14/95/823321495.db2.gz FXRUOKWNTLTPFA-UHFFFAOYSA-N 0 0 390.823 4.237 20 5 GIBDRN Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000014376498 818239874 /nfs/dbraw/zinc/23/98/74/818239874.db2.gz WBIBXOONDQWMBI-ZDUSSCGKSA-N 0 0 383.429 4.433 20 5 GIBDRN COc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014554969 818250160 /nfs/dbraw/zinc/25/01/60/818250160.db2.gz CTXPLVSDUZNWMX-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN COc1c(Br)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014554997 818250240 /nfs/dbraw/zinc/25/02/40/818250240.db2.gz RXOHUTNJSCACIV-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(C(F)(F)F)c1 ZINC000014574627 818251534 /nfs/dbraw/zinc/25/15/34/818251534.db2.gz JRVURMYWNCKHCV-NSHDSACASA-N 0 0 381.354 4.171 20 5 GIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000014575794 818252180 /nfs/dbraw/zinc/25/21/80/818252180.db2.gz IJWYYTRGQUWFDI-SECBINFHSA-N 0 0 387.194 4.297 20 5 GIBDRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000014736100 818263160 /nfs/dbraw/zinc/26/31/60/818263160.db2.gz HQGRXUBKTSCIRR-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN COc1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 ZINC000014785532 818265309 /nfs/dbraw/zinc/26/53/09/818265309.db2.gz XUQRMXMTVCGREX-UHFFFAOYSA-N 0 0 377.352 4.447 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(F)ccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000014795327 818267625 /nfs/dbraw/zinc/26/76/25/818267625.db2.gz SJOIYQGJCAYYIC-UHFFFAOYSA-N 0 0 382.395 4.156 20 5 GIBDRN CCNc1ccc(C(=O)Nc2nc3ccc(OCC)cc3s2)cc1[N+](=O)[O-] ZINC000014826454 818270428 /nfs/dbraw/zinc/27/04/28/818270428.db2.gz YGPLZJBVTXWYFC-UHFFFAOYSA-N 0 0 386.433 4.287 20 5 GIBDRN COc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000572342331 823324655 /nfs/dbraw/zinc/32/46/55/823324655.db2.gz UDNXUWQUIAJGRM-UHFFFAOYSA-N 0 0 387.392 4.047 20 5 GIBDRN CC1CCN(c2ccc(C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])CC1 ZINC000015011283 818282971 /nfs/dbraw/zinc/28/29/71/818282971.db2.gz PHJUXVUEGHUVIU-UHFFFAOYSA-N 0 0 375.375 4.362 20 5 GIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccnc1 ZINC000015096960 818290242 /nfs/dbraw/zinc/29/02/42/818290242.db2.gz IIOBBSLXLNOSIW-UHFFFAOYSA-N 0 0 399.410 4.024 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000409850448 823325875 /nfs/dbraw/zinc/32/58/75/823325875.db2.gz MNGJPTOYWZFAFK-JKSUJKDBSA-N 0 0 379.243 4.364 20 5 GIBDRN CCCCCOc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000015210199 818300155 /nfs/dbraw/zinc/30/01/55/818300155.db2.gz ASPPGBXNMHLEPD-UHFFFAOYSA-N 0 0 379.434 4.360 20 5 GIBDRN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000015239622 818301661 /nfs/dbraw/zinc/30/16/61/818301661.db2.gz JAPKPHVHXKJZIM-UHFFFAOYSA-N 0 0 391.214 4.399 20 5 GIBDRN C/C=C/c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(OC)c1 ZINC000015327200 818313348 /nfs/dbraw/zinc/31/33/48/818313348.db2.gz AUYRVKGXABCGLJ-AATRIKPKSA-N 0 0 377.418 4.021 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015372241 818318864 /nfs/dbraw/zinc/31/88/64/818318864.db2.gz CUSFTXUZLGLUIG-FQEVSTJZSA-N 0 0 384.432 4.197 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000015394160 818320639 /nfs/dbraw/zinc/32/06/39/818320639.db2.gz BOFRQPOLAKXRDB-SECBINFHSA-N 0 0 385.203 4.316 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000015394161 818320740 /nfs/dbraw/zinc/32/07/40/818320740.db2.gz BOFRQPOLAKXRDB-VIFPVBQESA-N 0 0 385.203 4.316 20 5 GIBDRN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015396311 818321069 /nfs/dbraw/zinc/32/10/69/818321069.db2.gz SHYMACOQNKYPGH-SECBINFHSA-N 0 0 392.770 4.095 20 5 GIBDRN Cc1cccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000015395399 818321125 /nfs/dbraw/zinc/32/11/25/818321125.db2.gz BXADIPCSFXWHHX-UHFFFAOYSA-N 0 0 382.441 4.299 20 5 GIBDRN Cc1ccc(OCc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)o2)cc1 ZINC000176937914 823329333 /nfs/dbraw/zinc/32/93/33/823329333.db2.gz CSUSXKHYZWZVHZ-UHFFFAOYSA-N 0 0 398.400 4.299 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000015629361 818350659 /nfs/dbraw/zinc/35/06/59/818350659.db2.gz UHRINSFHCRQUTD-UHFFFAOYSA-N 0 0 385.470 4.489 20 5 GIBDRN O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015651198 818354835 /nfs/dbraw/zinc/35/48/35/818354835.db2.gz HJPJOBSMPUSHFB-UHFFFAOYSA-N 0 0 393.365 4.160 20 5 GIBDRN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000015650899 818354921 /nfs/dbraw/zinc/35/49/21/818354921.db2.gz KFIUTTQVNQEFIT-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2)cs1 ZINC000015765855 818366434 /nfs/dbraw/zinc/36/64/34/818366434.db2.gz JATCQNYSNSMZDI-UHFFFAOYSA-N 0 0 397.412 4.050 20 5 GIBDRN Cc1c(NC(=O)CCOc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000015790979 818367682 /nfs/dbraw/zinc/36/76/82/818367682.db2.gz JRGJACNHIMTGOA-UHFFFAOYSA-N 0 0 379.210 4.073 20 5 GIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000015827489 818373760 /nfs/dbraw/zinc/37/37/60/818373760.db2.gz HGOQWABNBLTFTH-MRXNPFEDSA-N 0 0 390.823 4.243 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1F ZINC000015976779 818380291 /nfs/dbraw/zinc/38/02/91/818380291.db2.gz CTPURARFFPQRJD-UHFFFAOYSA-N 0 0 388.342 4.161 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(CCC(F)(F)F)c1 ZINC000176952510 823332989 /nfs/dbraw/zinc/33/29/89/823332989.db2.gz KMBUVQUCMILYFU-UHFFFAOYSA-N 0 0 382.338 4.497 20 5 GIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000016005152 818383990 /nfs/dbraw/zinc/38/39/90/818383990.db2.gz IRHRREIBZVRXQI-UHFFFAOYSA-N 0 0 385.754 4.168 20 5 GIBDRN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000016088111 818391037 /nfs/dbraw/zinc/39/10/37/818391037.db2.gz SMSLRYNEJMBUOR-QMMMGPOBSA-N 0 0 393.223 4.080 20 5 GIBDRN CC(C)c1ccccc1-n1ccnc1SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000016121882 818395330 /nfs/dbraw/zinc/39/53/30/818395330.db2.gz VXTWFSMNLZKVKU-UHFFFAOYSA-N 0 0 396.472 4.295 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176956693 823334070 /nfs/dbraw/zinc/33/40/70/823334070.db2.gz HWWPQPAHFHVYMJ-WFASDCNBSA-N 0 0 395.868 4.430 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C)sc3c2)cc1OC ZINC000016180184 818402171 /nfs/dbraw/zinc/40/21/71/818402171.db2.gz OMOXMAGLKCNNQM-UHFFFAOYSA-N 0 0 387.417 4.173 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000016195947 818404800 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UPRGUGPGFDPNDR-CYBMUJFWSA-N 0 0 390.823 4.357 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000023027493 818888925 /nfs/dbraw/zinc/88/89/25/818888925.db2.gz IUPIBONPYSYZKB-UHFFFAOYSA-N 0 0 376.368 4.109 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000023031916 818889445 /nfs/dbraw/zinc/88/94/45/818889445.db2.gz GEKAZKGFUYNFCU-UHFFFAOYSA-N 0 0 390.395 4.417 20 5 GIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000058273437 823373641 /nfs/dbraw/zinc/37/36/41/823373641.db2.gz CDLWKPJDQQCFBS-UHFFFAOYSA-N 0 0 375.812 4.403 20 5 GIBDRN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023386835 818931601 /nfs/dbraw/zinc/93/16/01/818931601.db2.gz JFEAIIGXBHMCNS-HUUCEWRRSA-N 0 0 399.413 4.049 20 5 GIBDRN COCCCOc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000177130166 823378522 /nfs/dbraw/zinc/37/85/22/823378522.db2.gz RPGACPZDWIYIBU-UHFFFAOYSA-N 0 0 387.436 4.067 20 5 GIBDRN CCn1c(SCC(=O)c2cc(C)[nH]c2C)nc2cc3ccccc3cc2c1=O ZINC000023463735 818943779 /nfs/dbraw/zinc/94/37/79/818943779.db2.gz MJIUPYHVIZSCTO-UHFFFAOYSA-N 0 0 391.496 4.490 20 5 GIBDRN COc1cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC ZINC000023489688 818946491 /nfs/dbraw/zinc/94/64/91/818946491.db2.gz DPYXBXXHXHOLPS-UHFFFAOYSA-N 0 0 399.230 4.191 20 5 GIBDRN CSc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000460399377 823376732 /nfs/dbraw/zinc/37/67/32/823376732.db2.gz INOLKHGDMDTVDI-UHFFFAOYSA-N 0 0 385.214 4.471 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000460402816 823377495 /nfs/dbraw/zinc/37/74/95/823377495.db2.gz PRLGNEBCCQMDJZ-WCQYABFASA-N 0 0 388.411 4.497 20 5 GIBDRN O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000410043478 823378304 /nfs/dbraw/zinc/37/83/04/823378304.db2.gz RQETUSHSKOTRAO-JOCHJYFZSA-N 0 0 388.423 4.439 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccc(Cl)cc2)on1 ZINC000122625628 823383778 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392.209 4.003 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccccc2Cl)c1 ZINC000024185747 819030552 /nfs/dbraw/zinc/03/05/52/819030552.db2.gz OGXPJVLPDDUHBN-UHFFFAOYSA-N 0 0 380.853 4.121 20 5 GIBDRN Cc1nn(C)c2ncc(C(=O)OCc3nc4ccccc4c4ccccc34)cc12 ZINC000024198683 819032077 /nfs/dbraw/zinc/03/20/77/819032077.db2.gz UWHLJHWINGAIDV-UHFFFAOYSA-N 0 0 382.423 4.335 20 5 GIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000024212926 819035014 /nfs/dbraw/zinc/03/50/14/819035014.db2.gz ILVIUCBXELGKCH-UHFFFAOYSA-N 0 0 387.697 4.307 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nncn1-c1cccc(Cl)c1 ZINC000024229796 819037602 /nfs/dbraw/zinc/03/76/02/819037602.db2.gz ULEYNKJCHRHVAF-UHFFFAOYSA-N 0 0 376.825 4.130 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1sc(C)nc1-c1ccccc1 ZINC000024224835 819037809 /nfs/dbraw/zinc/03/78/09/819037809.db2.gz WVCJUBOWLVEKJX-UHFFFAOYSA-N 0 0 384.413 4.392 20 5 GIBDRN Cc1nc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C ZINC000024244841 819038726 /nfs/dbraw/zinc/03/87/26/819038726.db2.gz UOCXGOYVSMWSDV-UHFFFAOYSA-N 0 0 391.396 4.418 20 5 GIBDRN COCCCOc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000177145321 823381910 /nfs/dbraw/zinc/38/19/10/823381910.db2.gz XMVLTZMETGJSAF-HNNXBMFYSA-N 0 0 387.436 4.201 20 5 GIBDRN COc1cccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])cc3)nc3ccccc32)c1 ZINC000460417002 823381970 /nfs/dbraw/zinc/38/19/70/823381970.db2.gz VEWOUPSAAXUBLV-UHFFFAOYSA-N 0 0 388.383 4.195 20 5 GIBDRN C[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000460416743 823382053 /nfs/dbraw/zinc/38/20/53/823382053.db2.gz SPZFZMLVMQMSQM-INIZCTEOSA-N 0 0 377.448 4.085 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NCCCc1ccccc1 ZINC000024440220 819057097 /nfs/dbraw/zinc/05/70/97/819057097.db2.gz TUVTVSULOYHFCH-UHFFFAOYSA-N 0 0 396.468 4.451 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000024507225 819066263 /nfs/dbraw/zinc/06/62/63/819066263.db2.gz LCFUGZJYHCOTFN-UHFFFAOYSA-N 0 0 399.321 4.378 20 5 GIBDRN COc1ccc(Br)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000410080589 823386142 /nfs/dbraw/zinc/38/61/42/823386142.db2.gz FCJHMRWRWKFVDN-UHFFFAOYSA-N 0 0 390.193 4.100 20 5 GIBDRN O=C(CCCOc1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000058445803 823392419 /nfs/dbraw/zinc/39/24/19/823392419.db2.gz STUFCNQCXJZDTG-UHFFFAOYSA-N 0 0 384.310 4.133 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460441799 823390700 /nfs/dbraw/zinc/39/07/00/823390700.db2.gz YNKNWDOEYGSTKZ-UHFFFAOYSA-N 0 0 388.395 4.463 20 5 GIBDRN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000460442275 823390885 /nfs/dbraw/zinc/39/08/85/823390885.db2.gz IPNYAEQMNAOLBI-LBPRGKRZSA-N 0 0 389.839 4.020 20 5 GIBDRN CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000189304084 823391047 /nfs/dbraw/zinc/39/10/47/823391047.db2.gz OBILBAJYISWJCZ-NSHDSACASA-N 0 0 391.811 4.003 20 5 GIBDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460461923 823397735 /nfs/dbraw/zinc/39/77/35/823397735.db2.gz RHHJLJJKXDDHJR-YNEHKIRRSA-N 0 0 386.370 4.235 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1SCC(F)F ZINC000122712526 823399207 /nfs/dbraw/zinc/39/92/07/823399207.db2.gz NYKMHGLBKSBUGL-UHFFFAOYSA-N 0 0 386.351 4.109 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000572795268 823400151 /nfs/dbraw/zinc/40/01/51/823400151.db2.gz VQXARIXUHPZVOI-GOSISDBHSA-N 0 0 398.356 4.184 20 5 GIBDRN O=C(NCc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1Br ZINC000189378358 823404043 /nfs/dbraw/zinc/40/40/43/823404043.db2.gz NLAXXINWPVXZLU-UHFFFAOYSA-N 0 0 387.592 4.080 20 5 GIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc4ccccc43)CC2)cc1 ZINC000058501831 823401069 /nfs/dbraw/zinc/40/10/69/823401069.db2.gz VALJSIUCACXGPZ-UHFFFAOYSA-N 0 0 396.468 4.316 20 5 GIBDRN Cc1cc2c(ncnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000122728162 823401632 /nfs/dbraw/zinc/40/16/32/823401632.db2.gz STVRGMRSUITKLC-UHFFFAOYSA-N 0 0 375.431 4.067 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000572805237 823402171 /nfs/dbraw/zinc/40/21/71/823402171.db2.gz KCVNXGTWSCZASF-BFUOFWGJSA-N 0 0 387.436 4.064 20 5 GIBDRN Cc1ccc(-c2cnc(CCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)o2)cc1 ZINC000058520131 823403237 /nfs/dbraw/zinc/40/32/37/823403237.db2.gz PFKJRBLHDIMJAE-UHFFFAOYSA-N 0 0 377.400 4.080 20 5 GIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCCc2ccccc21 ZINC000460489804 823406081 /nfs/dbraw/zinc/40/60/81/823406081.db2.gz PCMZUDXVHCZKJR-UHFFFAOYSA-N 0 0 376.416 4.154 20 5 GIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000177238359 823407304 /nfs/dbraw/zinc/40/73/04/823407304.db2.gz AHUOZLNHQGEDRN-UHFFFAOYSA-N 0 0 391.431 4.236 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000410166155 823408432 /nfs/dbraw/zinc/40/84/32/823408432.db2.gz ABTIGJRRLKICBB-VIFPVBQESA-N 0 0 394.359 4.495 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000572864653 823411261 /nfs/dbraw/zinc/41/12/61/823411261.db2.gz YKIALWJGBHDXLT-MRXNPFEDSA-N 0 0 396.447 4.040 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2cc(Br)ccc2o1 ZINC000460507722 823411750 /nfs/dbraw/zinc/41/17/50/823411750.db2.gz LVVBDHZBUYDPCO-UHFFFAOYSA-N 0 0 389.205 4.076 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000460508199 823412029 /nfs/dbraw/zinc/41/20/29/823412029.db2.gz JGOJOSJDQQNVGZ-ZIAGYGMSSA-N 0 0 379.243 4.364 20 5 GIBDRN CC(C)[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000572886668 823414028 /nfs/dbraw/zinc/41/40/28/823414028.db2.gz ZFMVXHHABSNSEE-HYSAVQALSA-N 0 0 392.415 4.275 20 5 GIBDRN O=C(C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccs1 ZINC000122771657 823409664 /nfs/dbraw/zinc/40/96/64/823409664.db2.gz LHKCKRJKERHVQD-ZDUSSCGKSA-N 0 0 378.837 4.187 20 5 GIBDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000460501971 823410106 /nfs/dbraw/zinc/41/01/06/823410106.db2.gz HDLOGRFNZJZJRP-GOSISDBHSA-N 0 0 395.503 4.175 20 5 GIBDRN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058567054 823410401 /nfs/dbraw/zinc/41/04/01/823410401.db2.gz NIKOMMCLNQPEQT-UHFFFAOYSA-N 0 0 392.415 4.001 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410194829 823415953 /nfs/dbraw/zinc/41/59/53/823415953.db2.gz LGEANFNEQQCVHV-UHFFFAOYSA-N 0 0 380.778 4.488 20 5 GIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000410201414 823418134 /nfs/dbraw/zinc/41/81/34/823418134.db2.gz BXLCQLCVBFPRPP-UHFFFAOYSA-N 0 0 375.388 4.037 20 5 GIBDRN CC(C)(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000058638245 823421942 /nfs/dbraw/zinc/42/19/42/823421942.db2.gz HDDGNTHWWRDXTR-UHFFFAOYSA-N 0 0 392.459 4.318 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460533658 823422580 /nfs/dbraw/zinc/42/25/80/823422580.db2.gz GGKKIXZMHNFUPE-UHFFFAOYSA-N 0 0 394.349 4.431 20 5 GIBDRN Cc1cc([C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C2CC2)ccc1F ZINC000460542249 823425448 /nfs/dbraw/zinc/42/54/48/823425448.db2.gz CXWLJXLHFNNDCG-HXUWFJFHSA-N 0 0 399.422 4.098 20 5 GIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@@H]1CCOC1 ZINC000410231799 823427657 /nfs/dbraw/zinc/42/76/57/823427657.db2.gz HNHLSCOXNVZYOQ-DZGCQCFKSA-N 0 0 378.494 4.032 20 5 GIBDRN CSc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000410241553 823431149 /nfs/dbraw/zinc/43/11/49/823431149.db2.gz LXYZPHAMYYYZMT-NSHDSACASA-N 0 0 383.429 4.062 20 5 GIBDRN CCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000024926369 819896098 /nfs/dbraw/zinc/89/60/98/819896098.db2.gz IWNSONWESAXIKB-UHFFFAOYSA-N 0 0 397.456 4.389 20 5 GIBDRN CCNc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000460568295 823436663 /nfs/dbraw/zinc/43/66/63/823436663.db2.gz URZOODBZFBERIM-VJFUWPCTSA-N 0 0 389.496 4.227 20 5 GIBDRN COc1cc(CSc2ncc3ccccn32)c([N+](=O)[O-])cc1OC(F)F ZINC000025029484 819911714 /nfs/dbraw/zinc/91/17/14/819911714.db2.gz GBXWLBLNBUGNKI-UHFFFAOYSA-N 0 0 381.360 4.145 20 5 GIBDRN O=C(NOCc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025035879 819913236 /nfs/dbraw/zinc/91/32/36/819913236.db2.gz PPNRYNRPTRAGNI-UHFFFAOYSA-N 0 0 377.400 4.069 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000460572411 823439170 /nfs/dbraw/zinc/43/91/70/823439170.db2.gz JMVZSPDWRZTJRP-LAUBAEHRSA-N 0 0 396.487 4.478 20 5 GIBDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000025172310 819938672 /nfs/dbraw/zinc/93/86/72/819938672.db2.gz RGXAYCMUUJKVTH-ZDUSSCGKSA-N 0 0 384.461 4.226 20 5 GIBDRN CCn1cnnc1-c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000025281324 819953949 /nfs/dbraw/zinc/95/39/49/819953949.db2.gz QJGWZTZRVLSLBL-UHFFFAOYSA-N 0 0 393.428 4.340 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000025381239 819973156 /nfs/dbraw/zinc/97/31/56/819973156.db2.gz GVQRWHORQFRVJE-RRFJBIMHSA-N 0 0 376.453 4.091 20 5 GIBDRN O=Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c([N+](=O)[O-])c1 ZINC000025522634 819995141 /nfs/dbraw/zinc/99/51/41/819995141.db2.gz GVRNWJWTIUZMTJ-UHFFFAOYSA-N 0 0 393.277 4.055 20 5 GIBDRN O=Cc1cc([N+](=O)[O-])ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025529803 819996895 /nfs/dbraw/zinc/99/68/95/819996895.db2.gz PSJXLWXHFSDGNJ-UHFFFAOYSA-N 0 0 393.277 4.055 20 5 GIBDRN COCCOc1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC ZINC000025578615 820004285 /nfs/dbraw/zinc/00/42/85/820004285.db2.gz XEKNSCXULHHPGN-UHFFFAOYSA-N 0 0 386.326 4.391 20 5 GIBDRN CCCNC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 ZINC000025615509 820007037 /nfs/dbraw/zinc/00/70/37/820007037.db2.gz XMWVGRFVZRARRU-UHFFFAOYSA-N 0 0 396.369 4.295 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025880252 820034997 /nfs/dbraw/zinc/03/49/97/820034997.db2.gz PZSITNOVTAMQDY-KRWDZBQOSA-N 0 0 392.358 4.086 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025929243 820041016 /nfs/dbraw/zinc/04/10/16/820041016.db2.gz IUIHJNXCDZLQRJ-UHFFFAOYSA-N 0 0 379.372 4.145 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc2ccccc21 ZINC000410283409 823448003 /nfs/dbraw/zinc/44/80/03/823448003.db2.gz LXLJTAAHTBWGEZ-ZDUSSCGKSA-N 0 0 384.819 4.485 20 5 GIBDRN C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025980871 820046289 /nfs/dbraw/zinc/04/62/89/820046289.db2.gz MXDCZWIPKLIFEI-SNVBAGLBSA-N 0 0 392.387 4.459 20 5 GIBDRN COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000410285034 823448886 /nfs/dbraw/zinc/44/88/86/823448886.db2.gz KPDRHKKIZFORFM-GFCCVEGCSA-N 0 0 383.429 4.218 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000026116403 820060402 /nfs/dbraw/zinc/06/04/02/820060402.db2.gz JEJZNAAUSLZSRS-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000026117273 820060410 /nfs/dbraw/zinc/06/04/10/820060410.db2.gz YSHWBECHQNQZAW-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000026117657 820060515 /nfs/dbraw/zinc/06/05/15/820060515.db2.gz YMGXEJGHUFVAJI-AWEZNQCLSA-N 0 0 378.384 4.240 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCC2CCC2)cc1[N+](=O)[O-] ZINC000026144407 820064109 /nfs/dbraw/zinc/06/41/09/820064109.db2.gz QTVYYKBHRMOFGA-UHFFFAOYSA-N 0 0 384.457 4.078 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2ccccc2F)no1 ZINC000573139086 823453434 /nfs/dbraw/zinc/45/34/34/823453434.db2.gz CQEIADLQNUKDKU-CQSZACIVSA-N 0 0 398.394 4.034 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000026289314 820078312 /nfs/dbraw/zinc/07/83/12/820078312.db2.gz QMOAAVVZPIIRBN-UHFFFAOYSA-N 0 0 381.335 4.405 20 5 GIBDRN C[C@@H](c1cccs1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000026352132 820087983 /nfs/dbraw/zinc/08/79/83/820087983.db2.gz CURNQHUGFLWEGU-HNNXBMFYSA-N 0 0 376.481 4.436 20 5 GIBDRN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000026402276 820094208 /nfs/dbraw/zinc/09/42/08/820094208.db2.gz XYQTZRUTOAMFSW-UHFFFAOYSA-N 0 0 376.727 4.399 20 5 GIBDRN CC(C)c1nnc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000026567972 820115260 /nfs/dbraw/zinc/11/52/60/820115260.db2.gz XFZZVBGFSRBCQZ-UHFFFAOYSA-N 0 0 397.460 4.434 20 5 GIBDRN CCn1c(S[C@@H](C)C(=O)NCCC(C)C)nc2cc3ccccc3cc2c1=O ZINC000026581118 820116711 /nfs/dbraw/zinc/11/67/11/820116711.db2.gz NZGKGMSYESFKMO-HNNXBMFYSA-N 0 0 397.544 4.213 20 5 GIBDRN Cn1c(=O)c2ccsc2nc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000026757616 820140014 /nfs/dbraw/zinc/14/00/14/820140014.db2.gz QTFLKVUJETXJHJ-UHFFFAOYSA-N 0 0 387.364 4.073 20 5 GIBDRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000026982036 820172826 /nfs/dbraw/zinc/17/28/26/820172826.db2.gz AIFVWMWSQQJDQU-UHFFFAOYSA-N 0 0 386.795 4.184 20 5 GIBDRN O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000410308126 823458762 /nfs/dbraw/zinc/45/87/62/823458762.db2.gz KPYLZXQEYLGQOC-UHFFFAOYSA-N 0 0 394.431 4.046 20 5 GIBDRN C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000027043264 820184524 /nfs/dbraw/zinc/18/45/24/820184524.db2.gz FZRCZEJDLQMOEK-GFCCVEGCSA-N 0 0 382.420 4.473 20 5 GIBDRN Cc1c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cccc1[N+](=O)[O-] ZINC000027067379 820188348 /nfs/dbraw/zinc/18/83/48/820188348.db2.gz ACJRGOIEPWQHFT-UHFFFAOYSA-N 0 0 397.818 4.019 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)CCO4)cc2[N+](=O)[O-])C1 ZINC000027131672 820198378 /nfs/dbraw/zinc/19/83/78/820198378.db2.gz MIPJQZMXLJSCRF-AWEZNQCLSA-N 0 0 381.432 4.018 20 5 GIBDRN C[C@H](C(=O)NCCOc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000573177586 823461242 /nfs/dbraw/zinc/46/12/42/823461242.db2.gz FTUVKWRTVWDTDC-NSHDSACASA-N 0 0 383.231 4.200 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000027258328 820216445 /nfs/dbraw/zinc/21/64/45/820216445.db2.gz QQQKJGHDPRRFFL-LIRRHRJNSA-N 0 0 384.480 4.107 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[C@@H](F)C3)cc2[N+](=O)[O-])n1 ZINC000573194370 823463808 /nfs/dbraw/zinc/46/38/08/823463808.db2.gz PGODLNQTYRNMMW-VXGBXAGGSA-N 0 0 381.454 4.131 20 5 GIBDRN O=C(CSc1nccn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027485887 820251235 /nfs/dbraw/zinc/25/12/35/820251235.db2.gz ICPKUFDBBNIUHD-UHFFFAOYSA-N 0 0 388.836 4.165 20 5 GIBDRN Cc1csc(-c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000410340955 823467324 /nfs/dbraw/zinc/46/73/24/823467324.db2.gz PMCPQLCGZUPAND-UHFFFAOYSA-N 0 0 389.458 4.136 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000027800097 820287310 /nfs/dbraw/zinc/28/73/10/820287310.db2.gz UVJNSZMQKYRSJR-UHFFFAOYSA-N 0 0 388.763 4.269 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc3ccc(OC)cc3c2)cc1OC ZINC000028245979 820320499 /nfs/dbraw/zinc/32/04/99/820320499.db2.gz CJCBGHZVRGTRNB-UHFFFAOYSA-N 0 0 397.383 4.383 20 5 GIBDRN Cc1noc(C)c1COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028442574 820337079 /nfs/dbraw/zinc/33/70/79/820337079.db2.gz WADZSYGTVOAHRY-CHWSQXEVSA-N 0 0 387.436 4.039 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000028515654 820343216 /nfs/dbraw/zinc/34/32/16/820343216.db2.gz GNXBNSXSQVHJMW-INIZCTEOSA-N 0 0 394.475 4.031 20 5 GIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000028731318 820354280 /nfs/dbraw/zinc/35/42/80/820354280.db2.gz RSARFWNGWXVHBT-UHFFFAOYSA-N 0 0 392.440 4.386 20 5 GIBDRN C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000028779323 820356892 /nfs/dbraw/zinc/35/68/92/820356892.db2.gz JFNAYQDWINYCJL-HNNXBMFYSA-N 0 0 376.416 4.093 20 5 GIBDRN C[C@H]1C[C@]1(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000410357820 823473180 /nfs/dbraw/zinc/47/31/80/823473180.db2.gz CFGUPTMIUXTXFP-FKIZINRSSA-N 0 0 383.835 4.324 20 5 GIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000028855588 820364464 /nfs/dbraw/zinc/36/44/64/820364464.db2.gz OWYXLJZSWJCHDU-JTQLQIEISA-N 0 0 393.852 4.326 20 5 GIBDRN CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411269052 823561232 /nfs/dbraw/zinc/56/12/32/823561232.db2.gz VMPRFLMULUNCBB-UHFFFAOYSA-N 0 0 386.832 4.049 20 5 GIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029251626 820419252 /nfs/dbraw/zinc/41/92/52/820419252.db2.gz LLQHZJDKPOQCDL-UHFFFAOYSA-N 0 0 383.404 4.369 20 5 GIBDRN COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 ZINC000029271232 820425027 /nfs/dbraw/zinc/42/50/27/820425027.db2.gz OGVIZIUNJVABED-LJQANCHMSA-N 0 0 392.839 4.149 20 5 GIBDRN Cc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000029470467 820459304 /nfs/dbraw/zinc/45/93/04/820459304.db2.gz MPQMOPBVFRRWKC-UHFFFAOYSA-N 0 0 386.795 4.178 20 5 GIBDRN CCCCCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000029504744 820464832 /nfs/dbraw/zinc/46/48/32/820464832.db2.gz IPXSEFBJWLPWRV-UHFFFAOYSA-N 0 0 386.473 4.468 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000059012290 823483386 /nfs/dbraw/zinc/48/33/86/823483386.db2.gz LGHHTCXYTCNALZ-UHFFFAOYSA-N 0 0 392.692 4.424 20 5 GIBDRN CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000123238156 823483380 /nfs/dbraw/zinc/48/33/80/823483380.db2.gz IFCINYCAPVUJBQ-UHFFFAOYSA-N 0 0 379.210 4.398 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@](F)(c4ccccc4)C3)o2)c1 ZINC000573340979 823481858 /nfs/dbraw/zinc/48/18/58/823481858.db2.gz MNXFFBNUWRIPJC-OAQYLSRUSA-N 0 0 381.407 4.363 20 5 GIBDRN COc1cc(C(=O)Nc2cnccc2-c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000177527314 823482967 /nfs/dbraw/zinc/48/29/67/823482967.db2.gz LWAUMXSKRBXBRJ-UHFFFAOYSA-N 0 0 397.362 4.065 20 5 GIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000189735374 823484089 /nfs/dbraw/zinc/48/40/89/823484089.db2.gz XTOMQYZMLMWSPD-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000029804158 820521753 /nfs/dbraw/zinc/52/17/53/820521753.db2.gz VEGKUVHRWKAYPH-UHFFFAOYSA-N 0 0 388.449 4.252 20 5 GIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000177541754 823486521 /nfs/dbraw/zinc/48/65/21/823486521.db2.gz HEWFAFQDKNQDBV-UHFFFAOYSA-N 0 0 387.848 4.344 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029845277 820531458 /nfs/dbraw/zinc/53/14/58/820531458.db2.gz XAJUKUKSMRCLEW-OAQYLSRUSA-N 0 0 388.423 4.391 20 5 GIBDRN COc1ccc2cc(CN(C)C(=O)COc3cc([N+](=O)[O-])ccc3C)ccc2c1 ZINC000059248081 823486773 /nfs/dbraw/zinc/48/67/73/823486773.db2.gz SQQUARHMZVCVAR-UHFFFAOYSA-N 0 0 394.427 4.102 20 5 GIBDRN Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])s3)s2)cc1F ZINC000029879001 820538694 /nfs/dbraw/zinc/53/86/94/820538694.db2.gz QNVGHJDKDMBQGT-UHFFFAOYSA-N 0 0 377.422 4.403 20 5 GIBDRN O=C(N=c1[nH]c2ccccc2n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000059266366 823488459 /nfs/dbraw/zinc/48/84/59/823488459.db2.gz ZWHPBYRUYUQMSR-UHFFFAOYSA-N 0 0 392.802 4.261 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000030117405 820577092 /nfs/dbraw/zinc/57/70/92/820577092.db2.gz CMZQKDADPWAESA-JTQLQIEISA-N 0 0 398.337 4.122 20 5 GIBDRN Cc1c(C(=O)NC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000059362315 823493702 /nfs/dbraw/zinc/49/37/02/823493702.db2.gz IIUHUOVHJANUGD-UHFFFAOYSA-N 0 0 375.222 4.085 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000030327302 820601433 /nfs/dbraw/zinc/60/14/33/820601433.db2.gz HPSDWRRFDURKKM-CQSZACIVSA-N 0 0 398.893 4.072 20 5 GIBDRN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000030358570 820604335 /nfs/dbraw/zinc/60/43/35/820604335.db2.gz WEMWKJDPIRRKTF-MRXNPFEDSA-N 0 0 396.468 4.094 20 5 GIBDRN CC(C)(NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177558838 823490900 /nfs/dbraw/zinc/49/09/00/823490900.db2.gz FPVDXGFMDRMPHM-UHFFFAOYSA-N 0 0 392.415 4.187 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189768543 823490963 /nfs/dbraw/zinc/49/09/63/823490963.db2.gz ORUIFZCDPICSAY-UHFFFAOYSA-N 0 0 388.836 4.251 20 5 GIBDRN COc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c(OC)c1 ZINC000410419267 823491631 /nfs/dbraw/zinc/49/16/31/823491631.db2.gz LZFDVURGAUHZKR-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C)O[C@@H](C)C2 ZINC000410423726 823493335 /nfs/dbraw/zinc/49/33/35/823493335.db2.gz SCJQDUJJZHZUIL-OWQGQXMQSA-N 0 0 396.443 4.368 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410440092 823495793 /nfs/dbraw/zinc/49/57/93/823495793.db2.gz HYPPOQMRRSSXIR-IAGOWNOFSA-N 0 0 394.349 4.264 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410449958 823496616 /nfs/dbraw/zinc/49/66/16/823496616.db2.gz WFVUBRJYONQYHY-SJORKVTESA-N 0 0 394.349 4.264 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000123332708 823497479 /nfs/dbraw/zinc/49/74/79/823497479.db2.gz YRCZHEHRZUFITI-UHFFFAOYSA-N 0 0 396.777 4.213 20 5 GIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])s2)sc1Cc1ccccc1F ZINC000059772851 823498342 /nfs/dbraw/zinc/49/83/42/823498342.db2.gz NQMKOSJOMUMPDB-UHFFFAOYSA-N 0 0 377.422 4.403 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000059785049 823498824 /nfs/dbraw/zinc/49/88/24/823498824.db2.gz YMRWDYYBTFZURY-UHFFFAOYSA-N 0 0 381.819 4.419 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccco1 ZINC000460733728 823499021 /nfs/dbraw/zinc/49/90/21/823499021.db2.gz RNJQTLZLESVFGI-HNNXBMFYSA-N 0 0 399.451 4.070 20 5 GIBDRN CC(C)Cn1c(-c2ccccn2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460735947 823499861 /nfs/dbraw/zinc/49/98/61/823499861.db2.gz IZCXTJUSUGBGRY-UHFFFAOYSA-N 0 0 392.463 4.073 20 5 GIBDRN Cc1cccc(C(=O)NCc2cccc(COc3ccccc3)c2)c1[N+](=O)[O-] ZINC000059826474 823499892 /nfs/dbraw/zinc/49/98/92/823499892.db2.gz IYZAVJQPYIYDJI-UHFFFAOYSA-N 0 0 376.412 4.412 20 5 GIBDRN C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)s1 ZINC000177644089 823506298 /nfs/dbraw/zinc/50/62/98/823506298.db2.gz FQXMPDSCFVJJTK-LBPRGKRZSA-N 0 0 394.880 4.483 20 5 GIBDRN COc1ccc2c(c1)N(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000410522003 823501134 /nfs/dbraw/zinc/50/11/34/823501134.db2.gz FEIZQWCEDAGJPL-JTQLQIEISA-N 0 0 396.321 4.050 20 5 GIBDRN Cc1cccc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000031211391 820770284 /nfs/dbraw/zinc/77/02/84/820770284.db2.gz JAFVLSQDJXGKNJ-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN Cc1c(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000031212606 820770829 /nfs/dbraw/zinc/77/08/29/820770829.db2.gz GURGBXYLCGRIOM-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN Cc1cc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000031212468 820770944 /nfs/dbraw/zinc/77/09/44/820770944.db2.gz BJSIEHINHHSYTD-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189822452 823502247 /nfs/dbraw/zinc/50/22/47/823502247.db2.gz FCPDLKBGKSXCOK-GOSISDBHSA-N 0 0 394.471 4.259 20 5 GIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000031307555 820789143 /nfs/dbraw/zinc/78/91/43/820789143.db2.gz UYSFNBQDNWWYQU-NSHDSACASA-N 0 0 383.429 4.259 20 5 GIBDRN COc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2OC)c([N+](=O)[O-])cc1F ZINC000410537075 823502744 /nfs/dbraw/zinc/50/27/44/823502744.db2.gz AYQAHLSVFATEPJ-MRXNPFEDSA-N 0 0 390.411 4.268 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000460746889 823503020 /nfs/dbraw/zinc/50/30/20/823503020.db2.gz FNDLRFCJEYXVNG-UHFFFAOYSA-N 0 0 383.795 4.259 20 5 GIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410551758 823503619 /nfs/dbraw/zinc/50/36/19/823503619.db2.gz VNEFYSNKHMWNPA-GXTWGEPZSA-N 0 0 376.400 4.408 20 5 GIBDRN Cc1ccccc1-c1noc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000031423105 820809233 /nfs/dbraw/zinc/80/92/33/820809233.db2.gz JBBBLYGBXOFCIT-UHFFFAOYSA-N 0 0 399.428 4.253 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000060063857 823506614 /nfs/dbraw/zinc/50/66/14/823506614.db2.gz WWPKHLMNZURIKF-UHFFFAOYSA-N 0 0 384.388 4.287 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCOc2ccc(C(F)(F)F)cc21 ZINC000177656570 823508689 /nfs/dbraw/zinc/50/86/89/823508689.db2.gz PFGNXSAMDOTYBH-UHFFFAOYSA-N 0 0 386.713 4.306 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000460787938 823512485 /nfs/dbraw/zinc/51/24/85/823512485.db2.gz FMHIOWCCTUGSAD-INIZCTEOSA-N 0 0 399.495 4.049 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)nc(SCCO)n2-c1cccc(C(F)(F)F)c1 ZINC000031707681 820848763 /nfs/dbraw/zinc/84/87/63/820848763.db2.gz FXBZFFLKOPPIHE-UHFFFAOYSA-N 0 0 383.351 4.037 20 5 GIBDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000410705857 823510117 /nfs/dbraw/zinc/51/01/17/823510117.db2.gz WQGNEKBUPOGFMH-BDJLRTHQSA-N 0 0 379.338 4.232 20 5 GIBDRN CNc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] ZINC000031812420 820864117 /nfs/dbraw/zinc/86/41/17/820864117.db2.gz JGOJKEIGQHREHX-UHFFFAOYSA-N 0 0 390.371 4.291 20 5 GIBDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000031817953 820864847 /nfs/dbraw/zinc/86/48/47/820864847.db2.gz LAXXKTFAANNVAX-UHFFFAOYSA-N 0 0 398.728 4.255 20 5 GIBDRN CCCOc1ccccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000031879373 820869319 /nfs/dbraw/zinc/86/93/19/820869319.db2.gz WWCUYZJFWXLYEI-UHFFFAOYSA-N 0 0 390.461 4.264 20 5 GIBDRN Cc1nn(-c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1Cl ZINC000031930018 820876357 /nfs/dbraw/zinc/87/63/57/820876357.db2.gz FUKMUSUWCLLDNS-UHFFFAOYSA-N 0 0 398.850 4.323 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2[N+](=O)[O-])C1 ZINC000031942277 820877119 /nfs/dbraw/zinc/87/71/19/820877119.db2.gz XGUHRWUQNQYVSM-QFBILLFUSA-N 0 0 394.475 4.203 20 5 GIBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410736600 823511524 /nfs/dbraw/zinc/51/15/24/823511524.db2.gz OHMZKORMIAIZRH-LDYMZIIASA-N 0 0 384.276 4.417 20 5 GIBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(c1ccccc1)[C@@H]1CCOC1 ZINC000410754202 823512458 /nfs/dbraw/zinc/51/24/58/823512458.db2.gz HJNRFGUVNGZERS-CQSZACIVSA-N 0 0 380.322 4.049 20 5 GIBDRN Cc1sc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] ZINC000031992217 820887096 /nfs/dbraw/zinc/88/70/96/820887096.db2.gz MXYIPXYVHXJKPY-UHFFFAOYSA-N 0 0 377.422 4.403 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000460787939 823512581 /nfs/dbraw/zinc/51/25/81/823512581.db2.gz FMHIOWCCTUGSAD-MRXNPFEDSA-N 0 0 399.495 4.049 20 5 GIBDRN CCCn1ccc2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc21 ZINC000060271136 823513796 /nfs/dbraw/zinc/51/37/96/823513796.db2.gz NGAPVZSYKPGVHA-UHFFFAOYSA-N 0 0 389.415 4.398 20 5 GIBDRN Cc1coc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc12 ZINC000189919569 823513866 /nfs/dbraw/zinc/51/38/66/823513866.db2.gz FNIKYETWXUGFHB-UHFFFAOYSA-N 0 0 395.415 4.025 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000189922081 823514111 /nfs/dbraw/zinc/51/41/11/823514111.db2.gz PEQVOVPVBOJYFU-UHFFFAOYSA-N 0 0 385.811 4.098 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000189958750 823517884 /nfs/dbraw/zinc/51/78/84/823517884.db2.gz PISFFJFQUTZOCB-UHFFFAOYSA-N 0 0 394.387 4.089 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(Oc2ccccc2)c1 ZINC000032363014 820925825 /nfs/dbraw/zinc/92/58/25/820925825.db2.gz DMWHUHMXLYMXQR-UHFFFAOYSA-N 0 0 378.384 4.082 20 5 GIBDRN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCN(c2ccccc2)CC1 ZINC000410807748 823515411 /nfs/dbraw/zinc/51/54/11/823515411.db2.gz PNWPXCLCXRUUQS-UHFFFAOYSA-N 0 0 379.416 4.082 20 5 GIBDRN CC(C)Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000032585538 820972199 /nfs/dbraw/zinc/97/21/99/820972199.db2.gz LFSFKLMBCKIHQB-UHFFFAOYSA-N 0 0 386.429 4.336 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000032591650 820974417 /nfs/dbraw/zinc/97/44/17/820974417.db2.gz OQVJLFGDJOROMP-UHFFFAOYSA-N 0 0 384.841 4.145 20 5 GIBDRN Cc1c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)onc1C1CCCCC1 ZINC000410876194 823520064 /nfs/dbraw/zinc/52/00/64/823520064.db2.gz GZCKWKYNKJLCLM-UHFFFAOYSA-N 0 0 379.363 4.398 20 5 GIBDRN Cc1nc2ccccc2n1CCc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000460817663 823520883 /nfs/dbraw/zinc/52/08/83/823520883.db2.gz CCTSHACUVHVASD-UHFFFAOYSA-N 0 0 383.795 4.199 20 5 GIBDRN Cc1ccc(C)c(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000032794009 821008520 /nfs/dbraw/zinc/00/85/20/821008520.db2.gz TXCWHOIDCOLXHZ-UHFFFAOYSA-N 0 0 375.446 4.390 20 5 GIBDRN CCOc1cc(C)ccc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000123573509 823522865 /nfs/dbraw/zinc/52/28/65/823522865.db2.gz BGOLXRGODUVPDD-UHFFFAOYSA-N 0 0 383.448 4.176 20 5 GIBDRN CCCN(Cc1ccc(C)cc1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033158768 821040342 /nfs/dbraw/zinc/04/03/42/821040342.db2.gz KJCFJJIWCFVXJM-UHFFFAOYSA-N 0 0 378.432 4.141 20 5 GIBDRN Cc1cccc(C(=O)N2CCc3cc(Br)cc(F)c32)c1[N+](=O)[O-] ZINC000177806835 823528233 /nfs/dbraw/zinc/52/82/33/823528233.db2.gz UFSFZFCKIBJKKF-UHFFFAOYSA-N 0 0 379.185 4.008 20 5 GIBDRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000035281545 821064828 /nfs/dbraw/zinc/06/48/28/821064828.db2.gz WMCBXOPVDARXPZ-QGZVFWFLSA-N 0 0 392.415 4.321 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1NC(=O)c1ccccc1 ZINC000036843387 821087601 /nfs/dbraw/zinc/08/76/01/821087601.db2.gz WWBGLLFPFJWEOW-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN CS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000060462497 823530629 /nfs/dbraw/zinc/53/06/29/823530629.db2.gz UMMBRSGWMVZMIQ-UHFFFAOYSA-N 0 0 397.408 4.022 20 5 GIBDRN COc1ccc(OCc2nc3ccc(Br)cc3o2)c([N+](=O)[O-])c1 ZINC000460871169 823533290 /nfs/dbraw/zinc/53/32/90/823533290.db2.gz YIBQQBNGWRXTFB-UHFFFAOYSA-N 0 0 379.166 4.086 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(OCc2ccccc2)cc1 ZINC000040877909 821165852 /nfs/dbraw/zinc/16/58/52/821165852.db2.gz SKGNJKDORKOYOM-UHFFFAOYSA-N 0 0 379.368 4.158 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC000177833655 823533308 /nfs/dbraw/zinc/53/33/08/823533308.db2.gz HZKHFSDLAGEHPB-AWEZNQCLSA-N 0 0 393.399 4.240 20 5 GIBDRN COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000040912778 821165956 /nfs/dbraw/zinc/16/59/56/821165956.db2.gz WEWVHXWBQFHGPF-UHFFFAOYSA-N 0 0 378.812 4.363 20 5 GIBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000460883552 823535704 /nfs/dbraw/zinc/53/57/04/823535704.db2.gz VRXAUBFOVFWSKO-UHFFFAOYSA-N 0 0 375.306 4.360 20 5 GIBDRN CCOc1cc(OCc2nc3ccc(Br)cc3o2)ccc1[N+](=O)[O-] ZINC000460872479 823533561 /nfs/dbraw/zinc/53/35/61/823533561.db2.gz ADVQTLRBEVGNKJ-UHFFFAOYSA-N 0 0 393.193 4.476 20 5 GIBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1nc2ccc(Br)cc2o1 ZINC000460874185 823533884 /nfs/dbraw/zinc/53/38/84/823533884.db2.gz VTTYWJAQHPOWAD-UHFFFAOYSA-N 0 0 384.573 4.126 20 5 GIBDRN COCC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000411042057 823536660 /nfs/dbraw/zinc/53/66/60/823536660.db2.gz CTQKBCSGICTZSS-OAHLLOKOSA-N 0 0 382.338 4.121 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000177857977 823537151 /nfs/dbraw/zinc/53/71/51/823537151.db2.gz QKWCVOZZBMFLDT-INIZCTEOSA-N 0 0 397.475 4.009 20 5 GIBDRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041792581 821230657 /nfs/dbraw/zinc/23/06/57/821230657.db2.gz UGEMBRQUQDGZFP-UHFFFAOYSA-N 0 0 399.410 4.019 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177864377 823538385 /nfs/dbraw/zinc/53/83/85/823538385.db2.gz COXCWRYQTIHISJ-YCRPNKLZSA-N 0 0 393.443 4.045 20 5 GIBDRN CCOc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)c2ccccc2)cc1 ZINC000041941563 821248439 /nfs/dbraw/zinc/24/84/39/821248439.db2.gz FPXMIUXDLPXVFW-NRFANRHFSA-N 0 0 391.427 4.216 20 5 GIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cn1 ZINC000041948542 821249349 /nfs/dbraw/zinc/24/93/49/821249349.db2.gz RWHQWTRZGGZUTD-UHFFFAOYSA-N 0 0 394.387 4.055 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Br ZINC000042082835 821262310 /nfs/dbraw/zinc/26/23/10/821262310.db2.gz XMTYVDPIHZAJAP-SECBINFHSA-N 0 0 399.628 4.417 20 5 GIBDRN Cn1c(SCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000042108508 821267343 /nfs/dbraw/zinc/26/73/43/821267343.db2.gz ADGKYTKVIZWFHI-UHFFFAOYSA-N 0 0 378.816 4.475 20 5 GIBDRN CCOc1ccccc1-c1nnc(SCc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000042153190 821275861 /nfs/dbraw/zinc/27/58/61/821275861.db2.gz XOQYYVKWOPLACS-UHFFFAOYSA-N 0 0 375.381 4.475 20 5 GIBDRN Cc1c(CSc2nnc(N3CCCC3)n2Cc2ccco2)cccc1[N+](=O)[O-] ZINC000042155069 821276404 /nfs/dbraw/zinc/27/64/04/821276404.db2.gz ZZTXDFPWEOKCEO-UHFFFAOYSA-N 0 0 399.476 4.029 20 5 GIBDRN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CCc1ccc([N+](=O)[O-])cc1 ZINC000042155996 821276439 /nfs/dbraw/zinc/27/64/39/821276439.db2.gz ILNDEADUEMVLOX-UHFFFAOYSA-N 0 0 389.333 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O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2ncc[nH]2)c1 ZINC000182628126 822329642 /nfs/dbraw/zinc/32/96/42/822329642.db2.gz RIPZHBWCTRHONB-UHFFFAOYSA-N 0 0 388.836 4.369 20 5 GIBDRN O=C(Nc1cccc(-c2cnco2)c1)c1cccc([N+](=O)[O-])c1Br ZINC000182648615 822338255 /nfs/dbraw/zinc/33/82/55/822338255.db2.gz JBUCSEFPCLULEQ-UHFFFAOYSA-N 0 0 388.177 4.265 20 5 GIBDRN C[C@H](C(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182650678 822339019 /nfs/dbraw/zinc/33/90/19/822339019.db2.gz RLPKSBYFHXTOAB-JTQLQIEISA-N 0 0 386.301 4.417 20 5 GIBDRN Cc1cc(C)n(-c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000182665563 822344259 /nfs/dbraw/zinc/34/42/59/822344259.db2.gz RUDFHCRLEHWVSN-AWEZNQCLSA-N 0 0 382.395 4.279 20 5 GIBDRN Nc1c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000178200522 822350521 /nfs/dbraw/zinc/35/05/21/822350521.db2.gz DBHPUQVPCANLGP-UHFFFAOYSA-N 0 0 389.717 4.024 20 5 GIBDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178227649 822356162 /nfs/dbraw/zinc/35/61/62/822356162.db2.gz AIJDNRRZBGDXLP-ZDUSSCGKSA-N 0 0 395.440 4.454 20 5 GIBDRN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CCO1 ZINC000182732194 822359283 /nfs/dbraw/zinc/35/92/83/822359283.db2.gz NFELPOMVZCRURX-ZIAGYGMSSA-N 0 0 375.450 4.170 20 5 GIBDRN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182761092 822363619 /nfs/dbraw/zinc/36/36/19/822363619.db2.gz KZIRFHMQTUKHOL-UHFFFAOYSA-N 0 0 387.367 4.199 20 5 GIBDRN CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000178295086 822364206 /nfs/dbraw/zinc/36/42/06/822364206.db2.gz IEICBUABFCHYEI-UHFFFAOYSA-N 0 0 394.460 4.122 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1 ZINC000045173353 822367763 /nfs/dbraw/zinc/36/77/63/822367763.db2.gz PXBHVXFIMGMDCB-NSHDSACASA-N 0 0 395.278 4.154 20 5 GIBDRN CCOCCCNC(=O)c1cccc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000182800639 822369571 /nfs/dbraw/zinc/36/95/71/822369571.db2.gz ABQVFYQOEWYTAZ-MRXNPFEDSA-N 0 0 385.464 4.233 20 5 GIBDRN Nc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1[N+](=O)[O-] ZINC000045197972 822370002 /nfs/dbraw/zinc/37/00/02/822370002.db2.gz JJIGATNARDMLMF-UHFFFAOYSA-N 0 0 379.338 4.001 20 5 GIBDRN CCC[C@@H](CCO)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000178495128 822385238 /nfs/dbraw/zinc/38/52/38/822385238.db2.gz ZELSGHYWKDYNJP-HNNXBMFYSA-N 0 0 388.489 4.275 20 5 GIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000045446823 822388026 /nfs/dbraw/zinc/38/80/26/822388026.db2.gz KPPXQJOAOWSMBI-AWEZNQCLSA-N 0 0 388.851 4.454 20 5 GIBDRN COc1cccc([C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCO2)c1 ZINC000178543689 822390041 /nfs/dbraw/zinc/39/00/41/822390041.db2.gz HLFRQGDWBOIJBG-KRWDZBQOSA-N 0 0 398.440 4.032 20 5 GIBDRN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000045506579 822391670 /nfs/dbraw/zinc/39/16/70/822391670.db2.gz SDOOIOHVZBBTCV-INIZCTEOSA-N 0 0 397.475 4.427 20 5 GIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccccc3N3CCCCC3)cc2N1 ZINC000182923663 822393473 /nfs/dbraw/zinc/39/34/73/822393473.db2.gz FJUVCGUIVOAAGH-UHFFFAOYSA-N 0 0 380.448 4.082 20 5 GIBDRN Cc1c(CC(=O)Nc2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000178585948 822394192 /nfs/dbraw/zinc/39/41/92/822394192.db2.gz SLNIIYQJPHETTL-UHFFFAOYSA-N 0 0 377.400 4.058 20 5 GIBDRN CNc1ccc(C(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000045537541 822394439 /nfs/dbraw/zinc/39/44/39/822394439.db2.gz VTGRLBFXJRLJCJ-LJQANCHMSA-N 0 0 383.448 4.403 20 5 GIBDRN O=C(N[C@@H]1CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000178634374 822398042 /nfs/dbraw/zinc/39/80/42/822398042.db2.gz OTZBBEWXJMZCMS-HZPDHXFCSA-N 0 0 392.864 4.043 20 5 GIBDRN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000045622223 822401040 /nfs/dbraw/zinc/40/10/40/822401040.db2.gz CSVLTMAJPAQRKK-NSHDSACASA-N 0 0 383.326 4.054 20 5 GIBDRN Cc1sc2[nH]c([C@@H](C)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000178688601 822403205 /nfs/dbraw/zinc/40/32/05/822403205.db2.gz CTWQFRZZXUJKRG-VXGBXAGGSA-N 0 0 386.477 4.230 20 5 GIBDRN COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182980438 822403964 /nfs/dbraw/zinc/40/39/64/822403964.db2.gz MVRMKPXCSLLEKB-OAHLLOKOSA-N 0 0 383.448 4.321 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178753831 822407384 /nfs/dbraw/zinc/40/73/84/822407384.db2.gz OIXFPKSGKWUYBB-UHFFFAOYSA-N 0 0 377.347 4.393 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1SCC(F)(F)F ZINC000045715094 822407311 /nfs/dbraw/zinc/40/73/11/822407311.db2.gz VVWJEFLLDTXUNA-UHFFFAOYSA-N 0 0 386.351 4.267 20 5 GIBDRN C[C@@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000182994358 822407582 /nfs/dbraw/zinc/40/75/82/822407582.db2.gz DDASIZNADVIUCR-OAHLLOKOSA-N 0 0 376.416 4.093 20 5 GIBDRN O=C(NC[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183004035 822409424 /nfs/dbraw/zinc/40/94/24/822409424.db2.gz KCQVNEPEAIIMDA-OAHLLOKOSA-N 0 0 378.494 4.034 20 5 GIBDRN O=C(Nc1ccc(F)cc1OCC1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183021296 822412626 /nfs/dbraw/zinc/41/26/26/822412626.db2.gz SDZLDVHXLIGBHU-UHFFFAOYSA-N 0 0 396.321 4.376 20 5 GIBDRN C[C@H](C(=O)Nc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000183032989 822414780 /nfs/dbraw/zinc/41/47/80/822414780.db2.gz BNJMFKSNKVMJPO-QMMMGPOBSA-N 0 0 385.164 4.378 20 5 GIBDRN CC[C@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000045812205 822415320 /nfs/dbraw/zinc/41/53/20/822415320.db2.gz BRKPOIPGOLYXQP-GFCCVEGCSA-N 0 0 394.374 4.128 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000045854083 822419328 /nfs/dbraw/zinc/41/93/28/822419328.db2.gz MDMXUUQIMBRIRB-HXUWFJFHSA-N 0 0 390.443 4.044 20 5 GIBDRN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)c1cccc(OC)c1 ZINC000178929001 822422303 /nfs/dbraw/zinc/42/23/03/822422303.db2.gz ICCBFGCKOAIVBP-AWEZNQCLSA-N 0 0 381.432 4.237 20 5 GIBDRN COc1cc(F)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000183104129 822424791 /nfs/dbraw/zinc/42/47/91/822424791.db2.gz VCOHFXTXIHESRA-UHFFFAOYSA-N 0 0 388.779 4.266 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000045948272 822426179 /nfs/dbraw/zinc/42/61/79/822426179.db2.gz AZLPLRLKEQDRIJ-SNVBAGLBSA-N 0 0 381.335 4.088 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000045951564 822426456 /nfs/dbraw/zinc/42/64/56/822426456.db2.gz ORNMNWUYLAVCPR-UHFFFAOYSA-N 0 0 392.415 4.199 20 5 GIBDRN C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000183137405 822429331 /nfs/dbraw/zinc/42/93/31/822429331.db2.gz PNZYMBJTWRIOIY-QAPCUYQASA-N 0 0 386.423 4.045 20 5 GIBDRN O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000045999154 822432727 /nfs/dbraw/zinc/43/27/27/822432727.db2.gz HVHWSXVLTOLUPE-UHFFFAOYSA-N 0 0 382.351 4.243 20 5 GIBDRN CSc1ccc(C(=O)OCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000179119060 822440165 /nfs/dbraw/zinc/44/01/65/822440165.db2.gz SVJILMRPJGPVEA-UHFFFAOYSA-N 0 0 378.353 4.149 20 5 GIBDRN COc1cc(C)c(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000454229949 822441341 /nfs/dbraw/zinc/44/13/41/822441341.db2.gz GSTMLOHJKVRFEG-INIZCTEOSA-N 0 0 399.447 4.332 20 5 GIBDRN Cc1ccnn1-c1ccccc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183223511 822444001 /nfs/dbraw/zinc/44/40/01/822444001.db2.gz PERTVNZORNABQN-UHFFFAOYSA-N 0 0 388.431 4.102 20 5 GIBDRN O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccccc1[N+](=O)[O-] ZINC000046148650 822444099 /nfs/dbraw/zinc/44/40/99/822444099.db2.gz WREUDTXWMTZGPR-UHFFFAOYSA-N 0 0 387.848 4.231 20 5 GIBDRN COc1ccc(CSCC(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000046149404 822444410 /nfs/dbraw/zinc/44/44/10/822444410.db2.gz OGDSYVSFXDKERB-AWEZNQCLSA-N 0 0 392.502 4.262 20 5 GIBDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000179154287 822444891 /nfs/dbraw/zinc/44/48/91/822444891.db2.gz WUNACQXYEGAOEQ-GFCCVEGCSA-N 0 0 377.238 4.465 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000046170761 822446561 /nfs/dbraw/zinc/44/65/61/822446561.db2.gz WYEDFGCAJWWODA-UHFFFAOYSA-N 0 0 389.411 4.225 20 5 GIBDRN COc1cc(C)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000454327012 822458268 /nfs/dbraw/zinc/45/82/68/822458268.db2.gz NKNIFVZCWYSOPG-UONOGXRCSA-N 0 0 387.436 4.042 20 5 GIBDRN CCOC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000179263423 822458603 /nfs/dbraw/zinc/45/86/03/822458603.db2.gz MSJYBIJHLMMZJU-UHFFFAOYSA-N 0 0 377.784 4.093 20 5 GIBDRN Cc1cccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c1[N+](=O)[O-] ZINC000046307682 822459940 /nfs/dbraw/zinc/45/99/40/822459940.db2.gz APYXSWLYUGBTCS-UHFFFAOYSA-N 0 0 381.363 4.160 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000454366754 822462966 /nfs/dbraw/zinc/46/29/66/822462966.db2.gz QECZBMACZNUXSH-LBPRGKRZSA-N 0 0 389.839 4.086 20 5 GIBDRN CCCOc1cc(NC(=O)N2CCC(CF)CC2)c([N+](=O)[O-])cc1OCCC ZINC000454367562 822463196 /nfs/dbraw/zinc/46/31/96/822463196.db2.gz WHHUCXCCNIBHNA-UHFFFAOYSA-N 0 0 397.447 4.386 20 5 GIBDRN COc1ccccc1[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccn1 ZINC000179308022 822463704 /nfs/dbraw/zinc/46/37/04/822463704.db2.gz CKCKNVUQNKAWAF-HXUWFJFHSA-N 0 0 378.384 4.253 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000454374537 822464821 /nfs/dbraw/zinc/46/48/21/822464821.db2.gz JLWMMUKVJGQWQV-AWEZNQCLSA-N 0 0 384.436 4.462 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000454382433 822466273 /nfs/dbraw/zinc/46/62/73/822466273.db2.gz MGCPWOSSDZHSMO-KRWDZBQOSA-N 0 0 396.447 4.273 20 5 GIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183384892 822466900 /nfs/dbraw/zinc/46/69/00/822466900.db2.gz AYQDOLUUFPRYTC-VXGBXAGGSA-N 0 0 387.436 4.195 20 5 GIBDRN C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454388354 822467102 /nfs/dbraw/zinc/46/71/02/822467102.db2.gz UDUHDSJRUOICTJ-QKYXUNIQSA-N 0 0 383.448 4.123 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000454404997 822470243 /nfs/dbraw/zinc/47/02/43/822470243.db2.gz LFMCWOKZZOOEKW-QAPCUYQASA-N 0 0 383.448 4.254 20 5 GIBDRN Cc1cc(N(C)C)ccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454434586 822475209 /nfs/dbraw/zinc/47/52/09/822475209.db2.gz NXRYAYXMMZPZJL-QGZVFWFLSA-N 0 0 382.464 4.381 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000183469081 822479821 /nfs/dbraw/zinc/47/98/21/822479821.db2.gz OYGNRKKBFQQJCO-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN COc1cc(F)c([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1OC ZINC000183476947 822481639 /nfs/dbraw/zinc/48/16/39/822481639.db2.gz UBBCUKJYDCKYKO-ZDUSSCGKSA-N 0 0 392.427 4.389 20 5 GIBDRN Cc1c(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000183487557 822483997 /nfs/dbraw/zinc/48/39/97/822483997.db2.gz WBDBKRHBMUROQQ-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC ZINC000046623687 822494450 /nfs/dbraw/zinc/49/44/50/822494450.db2.gz BJWWQXRDMURSIB-ZDUSSCGKSA-N 0 0 399.447 4.067 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC ZINC000046623686 822494474 /nfs/dbraw/zinc/49/44/74/822494474.db2.gz BJWWQXRDMURSIB-CYBMUJFWSA-N 0 0 399.447 4.067 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000183560236 822494914 /nfs/dbraw/zinc/49/49/14/822494914.db2.gz SGKKTIOPNLLORQ-UHFFFAOYSA-N 0 0 380.326 4.205 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000183573872 822496422 /nfs/dbraw/zinc/49/64/22/822496422.db2.gz VNTUKYUJASMPBM-UHFFFAOYSA-N 0 0 392.868 4.432 20 5 GIBDRN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)c1ccc(F)cc1 ZINC000046644692 822497254 /nfs/dbraw/zinc/49/72/54/822497254.db2.gz AVPHXCVEBOXZEM-CQSZACIVSA-N 0 0 382.395 4.143 20 5 GIBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000454562876 822497309 /nfs/dbraw/zinc/49/73/09/822497309.db2.gz 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822589020 /nfs/dbraw/zinc/58/90/20/822589020.db2.gz FRZKDIWMEPJOJD-AWEZNQCLSA-N 0 0 384.436 4.380 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@]2(CCSC2)C1 ZINC000455101734 822589018 /nfs/dbraw/zinc/58/90/18/822589018.db2.gz OKVJIGRDTFBHPN-HNNXBMFYSA-N 0 0 389.399 4.365 20 5 GIBDRN CSC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000455109400 822590268 /nfs/dbraw/zinc/59/02/68/822590268.db2.gz YMPVXJBBKQQUKB-SNVBAGLBSA-N 0 0 377.388 4.221 20 5 GIBDRN COC[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000455110912 822590533 /nfs/dbraw/zinc/59/05/33/822590533.db2.gz QMXPMHMUELNINK-XJKSGUPXSA-N 0 0 391.855 4.039 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 ZINC000047608670 822596301 /nfs/dbraw/zinc/59/63/01/822596301.db2.gz ONFGVDHXBZNOGV-UHFFFAOYSA-N 0 0 386.738 4.257 20 5 GIBDRN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000047625423 822597930 /nfs/dbraw/zinc/59/79/30/822597930.db2.gz RKJXZAQKGIBDBZ-LBPRGKRZSA-N 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389.429 4.191 20 5 GIBDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000456103117 822777872 /nfs/dbraw/zinc/77/78/72/822777872.db2.gz AZDRKGXPVPEQJH-IUCAKERBSA-N 0 0 395.175 4.160 20 5 GIBDRN C[C@@H](C(=O)N1CCC(c2c[nH]c3ncccc32)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185430836 822783010 /nfs/dbraw/zinc/78/30/10/822783010.db2.gz MEFNSBCAFUDMIF-CYBMUJFWSA-N 0 0 396.422 4.120 20 5 GIBDRN O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456146249 822783936 /nfs/dbraw/zinc/78/39/36/822783936.db2.gz QGPMPXVRCSSEBX-NSHDSACASA-N 0 0 382.313 4.171 20 5 GIBDRN COc1cc(CN(Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000051967360 822783954 /nfs/dbraw/zinc/78/39/54/822783954.db2.gz UXDPZURSOJYFEB-UHFFFAOYSA-N 0 0 382.363 4.271 20 5 GIBDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456157324 822784880 /nfs/dbraw/zinc/78/48/80/822784880.db2.gz AQALIGPDUJGOQJ-UHFFFAOYSA-N 0 0 396.451 4.301 20 5 GIBDRN Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000185455557 822786684 /nfs/dbraw/zinc/78/66/84/822786684.db2.gz IDSLGFJKAHWBLH-UHFFFAOYSA-N 0 0 376.347 4.391 20 5 GIBDRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cnn1-c1ccccc1F ZINC000185458737 822786764 /nfs/dbraw/zinc/78/67/64/822786764.db2.gz FWOAWTCYDCBFLC-UHFFFAOYSA-N 0 0 391.362 4.029 20 5 GIBDRN COCCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000456188097 822787190 /nfs/dbraw/zinc/78/71/90/822787190.db2.gz MSKLCKUDRFYWRB-UHFFFAOYSA-N 0 0 387.436 4.083 20 5 GIBDRN COc1ccccc1-n1c(NC(=O)c2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000174435096 822789684 /nfs/dbraw/zinc/78/96/84/822789684.db2.gz RBZPAUJIPLXFOV-UHFFFAOYSA-N 0 0 388.383 4.195 20 5 GIBDRN O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174452139 822791775 /nfs/dbraw/zinc/79/17/75/822791775.db2.gz IAMGIFGHTIPREJ-UHFFFAOYSA-N 0 0 394.762 4.088 20 5 GIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000174461026 822793226 /nfs/dbraw/zinc/79/32/26/822793226.db2.gz KHRQTSQLIGZQQA-NSHDSACASA-N 0 0 397.884 4.003 20 5 GIBDRN O=C(Nc1nc2ccccn2n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000185528899 822793750 /nfs/dbraw/zinc/79/37/50/822793750.db2.gz HGRJDFMUARUKCL-UHFFFAOYSA-N 0 0 397.460 4.172 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000174466524 822794161 /nfs/dbraw/zinc/79/41/61/822794161.db2.gz QSUGQUZVDRMFFR-LBPRGKRZSA-N 0 0 385.811 4.317 20 5 GIBDRN CC(=O)c1ccc(NCc2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000052243162 822794145 /nfs/dbraw/zinc/79/41/45/822794145.db2.gz TXEPHUXTMHPCSQ-UHFFFAOYSA-N 0 0 377.400 4.384 20 5 GIBDRN CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174478376 822795122 /nfs/dbraw/zinc/79/51/22/822795122.db2.gz CCZUXFPPOGPCGN-BMFZPTHFSA-N 0 0 388.445 4.079 20 5 GIBDRN CCc1ccc([C@@H](COC)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000174478524 822795177 /nfs/dbraw/zinc/79/51/77/822795177.db2.gz ZHIZJQJRDRCMEJ-QGZVFWFLSA-N 0 0 387.461 4.351 20 5 GIBDRN COCC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456301890 822796030 /nfs/dbraw/zinc/79/60/30/822796030.db2.gz UWEUGSNAZQKWQD-QGZVFWFLSA-N 0 0 396.365 4.050 20 5 GIBDRN COCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000456307531 822796621 /nfs/dbraw/zinc/79/66/21/822796621.db2.gz XZPCZSDYERHEJA-QGZVFWFLSA-N 0 0 396.365 4.050 20 5 GIBDRN COCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000456307098 822796642 /nfs/dbraw/zinc/79/66/42/822796642.db2.gz XZPCZSDYERHEJA-KRWDZBQOSA-N 0 0 396.365 4.050 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C(C)C)[C@H]3C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000456308349 822796745 /nfs/dbraw/zinc/79/67/45/822796745.db2.gz YRDJZZFJHOTPKU-VQTJNVASSA-N 0 0 398.507 4.209 20 5 GIBDRN CCc1cc(=O)c2cc(NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000185564227 822796998 /nfs/dbraw/zinc/79/69/98/822796998.db2.gz WKFADWYMUMKLLI-OAHLLOKOSA-N 0 0 393.443 4.206 20 5 GIBDRN COCCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000052359775 822797276 /nfs/dbraw/zinc/79/72/76/822797276.db2.gz MCFXLSNHQPEYHO-GFCCVEGCSA-N 0 0 380.828 4.455 20 5 GIBDRN COCCOc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000052359774 822797286 /nfs/dbraw/zinc/79/72/86/822797286.db2.gz MCFXLSNHQPEYHO-LBPRGKRZSA-N 0 0 380.828 4.455 20 5 GIBDRN CCCOCc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000052428703 822799144 /nfs/dbraw/zinc/79/91/44/822799144.db2.gz QKVOPQMCTQMZEB-UHFFFAOYSA-N 0 0 383.448 4.026 20 5 GIBDRN O=C(NCc1ccco1)c1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000052453678 822800229 /nfs/dbraw/zinc/80/02/29/822800229.db2.gz OWKACKQOTJHSAC-UHFFFAOYSA-N 0 0 385.807 4.383 20 5 GIBDRN C[C@@H](NC(=O)N1Cc2cccc(Br)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000185600196 822800897 /nfs/dbraw/zinc/80/08/97/822800897.db2.gz OKOXFUNPBYKAAN-LLVKDONJSA-N 0 0 390.237 4.144 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3cc(C)on3)cc2[N+](=O)[O-])n1 ZINC000052551478 822803310 /nfs/dbraw/zinc/80/33/10/822803310.db2.gz BDLMTTFQABYKBX-UHFFFAOYSA-N 0 0 376.419 4.060 20 5 GIBDRN CCOc1ccc([C@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OCC ZINC000052606336 822804859 /nfs/dbraw/zinc/80/48/59/822804859.db2.gz WPEDRELHTRJSLJ-ZDUSSCGKSA-N 0 0 397.431 4.365 20 5 GIBDRN CN(Cc1ccc(Br)s1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000052610909 822804990 /nfs/dbraw/zinc/80/49/90/822804990.db2.gz PROARBGJPBVLJK-UHFFFAOYSA-N 0 0 394.250 4.172 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456420635 822805937 /nfs/dbraw/zinc/80/59/37/822805937.db2.gz WTCSQNZEAFQPRH-SOLBZPMBSA-N 0 0 396.443 4.010 20 5 GIBDRN C[C@H](C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc([N+](=O)[O-])cc1F ZINC000456448715 822807685 /nfs/dbraw/zinc/80/76/85/822807685.db2.gz LJBMRBUXAHWYPI-RTHLEPHNSA-N 0 0 382.313 4.058 20 5 GIBDRN CN(Cc1csc2ccccc12)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052806286 822811529 /nfs/dbraw/zinc/81/15/29/822811529.db2.gz DOXLLVJBFPJGBO-UHFFFAOYSA-N 0 0 380.429 4.492 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000456528179 822813273 /nfs/dbraw/zinc/81/32/73/822813273.db2.gz HNPUIAHFDHPFPW-NHYWBVRUSA-N 0 0 378.475 4.028 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000052932413 822816219 /nfs/dbraw/zinc/81/62/19/822816219.db2.gz APNKOILXOWFORZ-OAHLLOKOSA-N 0 0 388.427 4.366 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052956718 822816858 /nfs/dbraw/zinc/81/68/58/822816858.db2.gz IPRRLBRDKYSYDR-AWEZNQCLSA-N 0 0 396.472 4.497 20 5 GIBDRN Cc1ccccc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052978193 822817454 /nfs/dbraw/zinc/81/74/54/822817454.db2.gz ZXSBDNMNQCAMHP-INIZCTEOSA-N 0 0 390.443 4.401 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2c1cccc2C(F)(F)F ZINC000185781388 822820663 /nfs/dbraw/zinc/82/06/63/822820663.db2.gz LVWFQRAQZGNIPB-UHFFFAOYSA-N 0 0 387.317 4.365 20 5 GIBDRN O=C(NCCC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000456714824 822826192 /nfs/dbraw/zinc/82/61/92/822826192.db2.gz BIDSARDHHYVLSL-HNNXBMFYSA-N 0 0 386.473 4.293 20 5 GIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@]2(CCOC2)C1 ZINC000456715144 822826206 /nfs/dbraw/zinc/82/62/06/822826206.db2.gz KHYMKOVTDPPMSY-NRFANRHFSA-N 0 0 398.484 4.389 20 5 GIBDRN COCc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)sc2cccc(F)c21 ZINC000053215416 822826305 /nfs/dbraw/zinc/82/63/05/822826305.db2.gz IPLDQFLXAPQOOA-UHFFFAOYSA-N 0 0 388.420 4.068 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456717528 822826463 /nfs/dbraw/zinc/82/64/63/822826463.db2.gz YDTZPQNEPASAQC-SFHVURJKSA-N 0 0 396.472 4.317 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(Cc2cccc(Cl)c2)CC1 ZINC000456732707 822827704 /nfs/dbraw/zinc/82/77/04/822827704.db2.gz OCSLSNIRFFGPGB-UHFFFAOYSA-N 0 0 383.835 4.164 20 5 GIBDRN CCOc1cc(NC(=O)N([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000174720959 822828251 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GIBDRN COc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)cc([N+](=O)[O-])c1OC ZINC000456828185 822835895 /nfs/dbraw/zinc/83/58/95/822835895.db2.gz DNMZLWRLBRTENC-INIZCTEOSA-N 0 0 388.395 4.037 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000185944052 822835902 /nfs/dbraw/zinc/83/59/02/822835902.db2.gz LGVMBSHZQIAFCN-UHFFFAOYSA-N 0 0 385.214 4.471 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccsc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053510016 822838059 /nfs/dbraw/zinc/83/80/59/822838059.db2.gz UPJXLAPCXZTPTM-ZDUSSCGKSA-N 0 0 382.445 4.154 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000053542408 822839957 /nfs/dbraw/zinc/83/99/57/822839957.db2.gz AELHKCOZDUYLDJ-SFHVURJKSA-N 0 0 384.432 4.044 20 5 GIBDRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000174817964 822841558 /nfs/dbraw/zinc/84/15/58/822841558.db2.gz PXQRVNCKDWUAKG-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185996329 822842191 /nfs/dbraw/zinc/84/21/91/822842191.db2.gz MFRMPWFLXKQRGH-UHFFFAOYSA-N 0 0 390.852 4.200 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cccc(SC)c3[N+](=O)[O-])C2)c1 ZINC000456931651 822842653 /nfs/dbraw/zinc/84/26/53/822842653.db2.gz YWAYDAHJWXPCFC-SHTZXODSSA-N 0 0 386.473 4.344 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N(CCC(F)(F)F)CC1CC1 ZINC000186005671 822843133 /nfs/dbraw/zinc/84/31/33/822843133.db2.gz ZKMZDCSBMLZUGE-UHFFFAOYSA-N 0 0 379.766 4.122 20 5 GIBDRN COc1ccc([C@H](C)N(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000186008332 822843418 /nfs/dbraw/zinc/84/34/18/822843418.db2.gz UJQBEPWNOBCWTJ-LBPRGKRZSA-N 0 0 377.828 4.159 20 5 GIBDRN COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000186011836 822843791 /nfs/dbraw/zinc/84/37/91/822843791.db2.gz VIWDQPDNMBZLPM-MRXNPFEDSA-N 0 0 393.827 4.034 20 5 GIBDRN COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000186011817 822843818 /nfs/dbraw/zinc/84/38/18/822843818.db2.gz VIWDQPDNMBZLPM-INIZCTEOSA-N 0 0 393.827 4.034 20 5 GIBDRN C[C@](Cc1ccccc1)(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457057329 822848716 /nfs/dbraw/zinc/84/87/16/822848716.db2.gz XQKMCARGLLRETF-JOCHJYFZSA-N 0 0 380.444 4.085 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186081344 822849944 /nfs/dbraw/zinc/84/99/44/822849944.db2.gz YXIFWRFBWFTAFR-UHFFFAOYSA-N 0 0 392.799 4.467 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000457081851 822851162 /nfs/dbraw/zinc/85/11/62/822851162.db2.gz NBOLYHMHJORORM-CQSZACIVSA-N 0 0 380.510 4.232 20 5 GIBDRN COC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000457084931 822851544 /nfs/dbraw/zinc/85/15/44/822851544.db2.gz NJDHCFIOCCPICB-SFHVURJKSA-N 0 0 397.475 4.096 20 5 GIBDRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000174897373 822852429 /nfs/dbraw/zinc/85/24/29/822852429.db2.gz BLENMWQWFSFJGN-INIZCTEOSA-N 0 0 376.456 4.192 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000186113719 822852721 /nfs/dbraw/zinc/85/27/21/822852721.db2.gz GBIJIWRJDXCBJK-UHFFFAOYSA-N 0 0 387.280 4.071 20 5 GIBDRN CSCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186142227 822855195 /nfs/dbraw/zinc/85/51/95/822855195.db2.gz PTYNYCWHLVRVFX-UHFFFAOYSA-N 0 0 381.251 4.473 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000186153046 822856155 /nfs/dbraw/zinc/85/61/55/822856155.db2.gz ULPQKGWSPQNACS-UHFFFAOYSA-N 0 0 391.474 4.181 20 5 GIBDRN Cc1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000054005122 822856942 /nfs/dbraw/zinc/85/69/42/822856942.db2.gz CGYHWHXSMBCOSF-QGZVFWFLSA-N 0 0 385.420 4.108 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)cc1SC ZINC000457181253 822859160 /nfs/dbraw/zinc/85/91/60/822859160.db2.gz XTBDUDVZWICQBU-QGZVFWFLSA-N 0 0 378.494 4.366 20 5 GIBDRN O=C(NCCC1CC(F)(F)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000457189732 822859595 /nfs/dbraw/zinc/85/95/95/822859595.db2.gz QXIFGMQNZCQXAY-UHFFFAOYSA-N 0 0 390.386 4.339 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000054059934 822860737 /nfs/dbraw/zinc/86/07/37/822860737.db2.gz PKMOTPSVVTUJRM-LBPRGKRZSA-N 0 0 385.420 4.363 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000186221568 822862016 /nfs/dbraw/zinc/86/20/16/822862016.db2.gz OHVUQGQGPNEWIJ-SFHVURJKSA-N 0 0 397.818 4.010 20 5 GIBDRN COc1cc(OCC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000457266650 822862702 /nfs/dbraw/zinc/86/27/02/822862702.db2.gz CLNMZZPXJFQWOU-OAQYLSRUSA-N 0 0 396.443 4.126 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN(C)C)cs1 ZINC000457310301 822864359 /nfs/dbraw/zinc/86/43/59/822864359.db2.gz JIMHLEBDGWQUJN-UHFFFAOYSA-N 0 0 394.522 4.257 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054176497 822866460 /nfs/dbraw/zinc/86/64/60/822866460.db2.gz NHOWAJASCLMNIQ-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457380721 822871701 /nfs/dbraw/zinc/87/17/01/822871701.db2.gz URITVLJVOFWYOS-GOSISDBHSA-N 0 0 398.850 4.421 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457393531 822872628 /nfs/dbraw/zinc/87/26/28/822872628.db2.gz ZQNJOAYPQKUZPD-SFHVURJKSA-N 0 0 398.850 4.421 20 5 GIBDRN CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000569045504 822872969 /nfs/dbraw/zinc/87/29/69/822872969.db2.gz AHGHTDATQWUHSA-CYBMUJFWSA-N 0 0 393.447 4.030 20 5 GIBDRN COCCC1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000186300287 822873090 /nfs/dbraw/zinc/87/30/90/822873090.db2.gz GICKEKSKTXMTQT-UHFFFAOYSA-N 0 0 389.496 4.256 20 5 GIBDRN COc1cccc(C=C2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000569063217 822875630 /nfs/dbraw/zinc/87/56/30/822875630.db2.gz GQPXGHSIHDUWBX-INIZCTEOSA-N 0 0 380.444 4.413 20 5 GIBDRN Cc1ccc2c(c1)N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000175062443 822876016 /nfs/dbraw/zinc/87/60/16/822876016.db2.gz QAFYUICECFEIHU-LLVKDONJSA-N 0 0 391.221 4.093 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000186335791 822877816 /nfs/dbraw/zinc/87/78/16/822877816.db2.gz CFYHYSNYVIXAAF-NSHDSACASA-N 0 0 387.486 4.287 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1occc1COc1ccccc1 ZINC000186346736 822879451 /nfs/dbraw/zinc/87/94/51/822879451.db2.gz YLJAERRCCWAHBO-UHFFFAOYSA-N 0 0 386.791 4.350 20 5 GIBDRN Cc1cc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(F)cc1Br ZINC000569149591 822884287 /nfs/dbraw/zinc/88/42/87/822884287.db2.gz AFBQWYBUEAYFNR-UHFFFAOYSA-N 0 0 396.216 4.164 20 5 GIBDRN COc1ccc(OC)c([C@H]2C[C@@H]2c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1 ZINC000569153888 822884804 /nfs/dbraw/zinc/88/48/04/822884804.db2.gz UUDBNNCCUAQAFH-WBVHZDCISA-N 0 0 395.415 4.165 20 5 GIBDRN COCc1nc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2o1 ZINC000175113484 822884889 /nfs/dbraw/zinc/88/48/89/822884889.db2.gz IAPHNNWGSASJQD-UHFFFAOYSA-N 0 0 395.293 4.154 20 5 GIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1csc([N+](=O)[O-])c1 ZINC000054449849 822887035 /nfs/dbraw/zinc/88/70/35/822887035.db2.gz QELSMGHXEBRBSO-UHFFFAOYSA-N 0 0 383.454 4.349 20 5 GIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000175126987 822887761 /nfs/dbraw/zinc/88/77/61/822887761.db2.gz VENKCJPUKZEAAB-UHFFFAOYSA-N 0 0 396.378 4.030 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1SCCc2ccccc21 ZINC000175128497 822888252 /nfs/dbraw/zinc/88/82/52/822888252.db2.gz KUBQEDQUNOZVTP-OAHLLOKOSA-N 0 0 380.372 4.165 20 5 GIBDRN Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccn1 ZINC000175148883 822892265 /nfs/dbraw/zinc/89/22/65/822892265.db2.gz MJXDXKIUXYRJQC-UHFFFAOYSA-N 0 0 392.459 4.122 20 5 GIBDRN CCOC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000054530314 822893451 /nfs/dbraw/zinc/89/34/51/822893451.db2.gz DLJQJVLGYRNIGR-CYBMUJFWSA-N 0 0 386.408 4.070 20 5 GIBDRN CC(C)(NC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000569218604 822893806 /nfs/dbraw/zinc/89/38/06/822893806.db2.gz IASLICWGVGHBQX-UHFFFAOYSA-N 0 0 397.353 4.435 20 5 GIBDRN CSc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000186452633 822898132 /nfs/dbraw/zinc/89/81/32/822898132.db2.gz CHTZYYYYHRPQJY-UHFFFAOYSA-N 0 0 376.865 4.432 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000054645370 822901218 /nfs/dbraw/zinc/90/12/18/822901218.db2.gz CNMVZPDWFOAQKA-HXUWFJFHSA-N 0 0 383.448 4.083 20 5 GIBDRN Cc1nc(-c2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)cs1 ZINC000569300326 822903999 /nfs/dbraw/zinc/90/39/99/822903999.db2.gz KZENZDYBJDENBN-UHFFFAOYSA-N 0 0 397.456 4.030 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cccc(Cl)c3n2C)c1 ZINC000186541124 822910737 /nfs/dbraw/zinc/91/07/37/822910737.db2.gz YNPUAGCSQPBJIC-UHFFFAOYSA-N 0 0 376.825 4.109 20 5 GIBDRN C[C@H](C(=O)Nc1nc2cccc(Cl)c2n1C)c1ccc([N+](=O)[O-])cc1F ZINC000186564531 822914083 /nfs/dbraw/zinc/91/40/83/822914083.db2.gz WNXWKXFDRZWZGT-VIFPVBQESA-N 0 0 376.775 4.016 20 5 GIBDRN CCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000569423589 822920996 /nfs/dbraw/zinc/92/09/96/822920996.db2.gz WGUMOGPAFRKXMW-IRXDYDNUSA-N 0 0 397.475 4.273 20 5 GIBDRN CC(=O)N(c1nc(COc2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1 ZINC000054912441 822921134 /nfs/dbraw/zinc/92/11/34/822921134.db2.gz OFZKXRGOOKEIMN-UHFFFAOYSA-N 0 0 387.392 4.454 20 5 GIBDRN CCCn1ccc2ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc21 ZINC000175272304 822921176 /nfs/dbraw/zinc/92/11/76/822921176.db2.gz AJMLBHAQJSYGSP-UHFFFAOYSA-N 0 0 383.404 4.229 20 5 GIBDRN O=[N+]([O-])c1ccc(OCCCSc2nnc(NCc3ccco3)s2)cc1 ZINC000054915239 822921670 /nfs/dbraw/zinc/92/16/70/822921670.db2.gz WPDATRNWKIFVEW-UHFFFAOYSA-N 0 0 392.462 4.213 20 5 GIBDRN CCOc1ccc([C@H](C)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641907 822928364 /nfs/dbraw/zinc/92/83/64/822928364.db2.gz KPDXJGNOSVLIEF-QKKBWIMNSA-N 0 0 398.438 4.306 20 5 GIBDRN COc1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])ccc1Br ZINC000186663831 822932321 /nfs/dbraw/zinc/93/23/21/822932321.db2.gz YSXRCWDKSIEOAK-UHFFFAOYSA-N 0 0 397.250 4.340 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000569514443 822932865 /nfs/dbraw/zinc/93/28/65/822932865.db2.gz DACWGOSWYKTFBW-UHFFFAOYSA-N 0 0 397.431 4.056 20 5 GIBDRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175341429 822940032 /nfs/dbraw/zinc/94/00/32/822940032.db2.gz OVSSIXFKDYGGCL-UHFFFAOYSA-N 0 0 392.749 4.024 20 5 GIBDRN COCCOc1ccc(N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000055153657 822941731 /nfs/dbraw/zinc/94/17/31/822941731.db2.gz MGABBWYOYSFCSD-CQSZACIVSA-N 0 0 398.419 4.152 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000175349517 822941916 /nfs/dbraw/zinc/94/19/16/822941916.db2.gz LQNGPRUUGTZHSL-UHFFFAOYSA-N 0 0 399.413 4.390 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000186731834 822946737 /nfs/dbraw/zinc/94/67/37/822946737.db2.gz PWESRLMYCIFYJY-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458018751 822950861 /nfs/dbraw/zinc/95/08/61/822950861.db2.gz CZCAXOMEMDTQHT-RTBURBONSA-N 0 0 390.443 4.189 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458028599 822951958 /nfs/dbraw/zinc/95/19/58/822951958.db2.gz NRSYJZQIVYQVEU-MJGOQNOKSA-N 0 0 390.443 4.189 20 5 GIBDRN CC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000055325746 822952517 /nfs/dbraw/zinc/95/25/17/822952517.db2.gz IBAWHTARUIBVAW-AWEZNQCLSA-N 0 0 394.374 4.233 20 5 GIBDRN COc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000458051675 822953731 /nfs/dbraw/zinc/95/37/31/822953731.db2.gz CYAHBCSJFPFLCD-DLBZAZTESA-N 0 0 384.432 4.020 20 5 GIBDRN COc1cccc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000186785814 822954848 /nfs/dbraw/zinc/95/48/48/822954848.db2.gz XCRKNOYJSQIAGG-UHFFFAOYSA-N 0 0 385.420 4.024 20 5 GIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458081517 822956342 /nfs/dbraw/zinc/95/63/42/822956342.db2.gz HPCXBBNXZHQQSP-MOPGFXCFSA-N 0 0 390.443 4.189 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)o1 ZINC000175399609 822959543 /nfs/dbraw/zinc/95/95/43/822959543.db2.gz ALXXPJNWJRJFPZ-UHFFFAOYSA-N 0 0 384.417 4.181 20 5 GIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(COc2ccccc2)CC1 ZINC000055425050 822960993 /nfs/dbraw/zinc/96/09/93/822960993.db2.gz OWYPMRYIGSOFOW-UHFFFAOYSA-N 0 0 379.416 4.007 20 5 GIBDRN CN(C)c1ccccc1-c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000569737366 822961216 /nfs/dbraw/zinc/96/12/16/822961216.db2.gz GDWVDZWOOCKPCV-UHFFFAOYSA-N 0 0 382.423 4.464 20 5 GIBDRN Cc1ccnc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)c1 ZINC000569743211 822962042 /nfs/dbraw/zinc/96/20/42/822962042.db2.gz HJDJUNSPESNKRS-HNNXBMFYSA-N 0 0 385.489 4.428 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1coc(-c3ccc(Cl)cc3)n1)CCO2 ZINC000569746292 822962760 /nfs/dbraw/zinc/96/27/60/822962760.db2.gz GMIFULHDOAZIQJ-UHFFFAOYSA-N 0 0 385.807 4.298 20 5 GIBDRN C[C@@H](NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415799 822963852 /nfs/dbraw/zinc/96/38/52/822963852.db2.gz ZVBWIGGEOAAFGX-DYESRHJHSA-N 0 0 397.475 4.089 20 5 GIBDRN CCN(CC)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cn1 ZINC000569768508 822966042 /nfs/dbraw/zinc/96/60/42/822966042.db2.gz HJCPHRMQQFTPLK-UHFFFAOYSA-N 0 0 382.342 4.107 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055464540 822966631 /nfs/dbraw/zinc/96/66/31/822966631.db2.gz GJICDFICGDKILY-VXGBXAGGSA-N 0 0 393.237 4.002 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000175429978 822966691 /nfs/dbraw/zinc/96/66/91/822966691.db2.gz GIBQOJSHQUHEGB-LIRRHRJNSA-N 0 0 390.386 4.079 20 5 GIBDRN C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000055465504 822966772 /nfs/dbraw/zinc/96/67/72/822966772.db2.gz FOJCTDBLGUZENU-CQSZACIVSA-N 0 0 376.416 4.149 20 5 GIBDRN 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4.179 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000055753547 823037522 /nfs/dbraw/zinc/03/75/22/823037522.db2.gz QDTFXFQUDLLOOK-HNNXBMFYSA-N 0 0 381.432 4.170 20 5 GIBDRN Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175786009 823039782 /nfs/dbraw/zinc/03/97/82/823039782.db2.gz RLBARDUMOZXADN-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000055771267 823042038 /nfs/dbraw/zinc/04/20/38/823042038.db2.gz MUMULOQOBHIQQH-UHFFFAOYSA-N 0 0 393.374 4.167 20 5 GIBDRN Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055779755 823043388 /nfs/dbraw/zinc/04/33/88/823043388.db2.gz OGBAWDNJHFWWEC-SFHVURJKSA-N 0 0 376.416 4.066 20 5 GIBDRN COc1cc(C(=O)N2CCCc3c(Cl)ccc(C)c32)cc([N+](=O)[O-])c1OC ZINC000411090985 823544306 /nfs/dbraw/zinc/54/43/06/823544306.db2.gz IOXPELDADUYLIM-UHFFFAOYSA-N 0 0 390.823 4.167 20 5 GIBDRN COCCC1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CCC1 ZINC000177922310 823546773 /nfs/dbraw/zinc/54/67/73/823546773.db2.gz TZAYTJZFDSEVAP-UHFFFAOYSA-N 0 0 375.450 4.172 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000411140926 823551440 /nfs/dbraw/zinc/55/14/40/823551440.db2.gz DUHJKZXOPKFFCY-KRWDZBQOSA-N 0 0 383.448 4.135 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(C)Cc2csc3ccccc23)cc([N+](=O)[O-])c1 ZINC000060685661 823552573 /nfs/dbraw/zinc/55/25/73/823552573.db2.gz LVETZGCNQVWBCK-UHFFFAOYSA-N 0 0 398.440 4.258 20 5 GIBDRN Cc1cccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000060704980 823553359 /nfs/dbraw/zinc/55/33/59/823553359.db2.gz FIGXDVUFVVWXKH-UHFFFAOYSA-N 0 0 391.265 4.373 20 5 GIBDRN CCSc1cc(Cl)ccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000460973169 823553509 /nfs/dbraw/zinc/55/35/09/823553509.db2.gz LBAAZWSFBIKLEW-UHFFFAOYSA-N 0 0 379.869 4.202 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460975029 823554002 /nfs/dbraw/zinc/55/40/02/823554002.db2.gz BUOIPADOVTYTNN-KRWDZBQOSA-N 0 0 397.397 4.207 20 5 GIBDRN CCCN(C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@@H]1CCc2ccccc21 ZINC000411204726 823557303 /nfs/dbraw/zinc/55/73/03/823557303.db2.gz XXQFZLTVDQYMAD-LJQANCHMSA-N 0 0 395.459 4.076 20 5 GIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190266720 823557987 /nfs/dbraw/zinc/55/79/87/823557987.db2.gz XZTUUQFBHKSSJK-OAQYLSRUSA-N 0 0 385.464 4.407 20 5 GIBDRN O=c1c2sc(-c3ccccc3)cc2ncn1CCOc1cccc([N+](=O)[O-])c1 ZINC000060815912 823559483 /nfs/dbraw/zinc/55/94/83/823559483.db2.gz ICUJBDPEJNQEJX-UHFFFAOYSA-N 0 0 393.424 4.112 20 5 GIBDRN CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 ZINC000461017434 823559810 /nfs/dbraw/zinc/55/98/10/823559810.db2.gz SJNFNRMZRCTYNP-UHFFFAOYSA-N 0 0 381.461 4.120 20 5 GIBDRN Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(Br)c1 ZINC000124035066 823561505 /nfs/dbraw/zinc/56/15/05/823561505.db2.gz TXDUXBRRGLVDOP-UHFFFAOYSA-N 0 0 390.237 4.256 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124043920 823562539 /nfs/dbraw/zinc/56/25/39/823562539.db2.gz HUBIQBPQKJQNLP-UHFFFAOYSA-N 0 0 375.812 4.155 20 5 GIBDRN CCCOc1ncccc1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861802 823562977 /nfs/dbraw/zinc/56/29/77/823562977.db2.gz NHOPLNDVDBTUGP-UHFFFAOYSA-N 0 0 379.420 4.156 20 5 GIBDRN O=C(Nc1ccc(-c2nccs2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124069202 823564950 /nfs/dbraw/zinc/56/49/50/823564950.db2.gz FFLVXMMMFJKVMI-UHFFFAOYSA-N 0 0 380.429 4.309 20 5 GIBDRN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000461047308 823565260 /nfs/dbraw/zinc/56/52/60/823565260.db2.gz HSRXTABXTNEVPC-FQEVSTJZSA-N 0 0 390.443 4.200 20 5 GIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCc4c3cccc4F)cc2[N+](=O)[O-])C1 ZINC000461071632 823569974 /nfs/dbraw/zinc/56/99/74/823569974.db2.gz BPWVJMULULPLGN-CQSZACIVSA-N 0 0 383.423 4.173 20 5 GIBDRN COc1ccc(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000060969070 823570143 /nfs/dbraw/zinc/57/01/43/823570143.db2.gz BBZZMQRIMPLJPX-UHFFFAOYSA-N 0 0 376.412 4.379 20 5 GIBDRN CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000190415424 823570711 /nfs/dbraw/zinc/57/07/11/823570711.db2.gz BHWPYGMSNKCCEA-JXFKEZNVSA-N 0 0 393.447 4.205 20 5 GIBDRN Cc1cc(NC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)ccc1[N+](=O)[O-] ZINC000411430238 823573426 /nfs/dbraw/zinc/57/34/26/823573426.db2.gz VSDZSIJLUUUGGX-UHFFFAOYSA-N 0 0 399.447 4.104 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(C2SCCS2)c1 ZINC000061106783 823578355 /nfs/dbraw/zinc/57/83/55/823578355.db2.gz VCQIYWWHXQHYOO-UHFFFAOYSA-N 0 0 375.475 4.395 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(F)cc4)c[nH]3)o2)cc1 ZINC000061142874 823580628 /nfs/dbraw/zinc/58/06/28/823580628.db2.gz BRXVUDDXHXVSOM-UHFFFAOYSA-N 0 0 397.391 4.466 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000190493951 823580707 /nfs/dbraw/zinc/58/07/07/823580707.db2.gz QWPAUAIHVOSGOB-UHFFFAOYSA-N 0 0 381.432 4.207 20 5 GIBDRN Cc1ccc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)cc1 ZINC000461129579 823583581 /nfs/dbraw/zinc/58/35/81/823583581.db2.gz JGFGPGOBIVELTF-LJQANCHMSA-N 0 0 393.447 4.109 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F ZINC000061196211 823583711 /nfs/dbraw/zinc/58/37/11/823583711.db2.gz NOTSKBZYCKGJEF-UHFFFAOYSA-N 0 0 396.216 4.327 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)oc1C ZINC000124311510 823586255 /nfs/dbraw/zinc/58/62/55/823586255.db2.gz TUPFTOYASUOCFH-UHFFFAOYSA-N 0 0 392.415 4.457 20 5 GIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1 ZINC000411593928 823589795 /nfs/dbraw/zinc/58/97/95/823589795.db2.gz VUUZKBVXXVPBPI-AWEZNQCLSA-N 0 0 399.447 4.163 20 5 GIBDRN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000124373612 823591281 /nfs/dbraw/zinc/59/12/81/823591281.db2.gz VBABKUJQECGOSN-UHFFFAOYSA-N 0 0 394.431 4.066 20 5 GIBDRN Cc1cccc(-c2nnc(COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000061356147 823593314 /nfs/dbraw/zinc/59/33/14/823593314.db2.gz FYSQYWRXANUYQU-CYBMUJFWSA-N 0 0 399.428 4.177 20 5 GIBDRN CCOc1ccc(OC)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000124449865 823597776 /nfs/dbraw/zinc/59/77/76/823597776.db2.gz CMSNFTBBCNOMKD-UHFFFAOYSA-N 0 0 385.420 4.199 20 5 GIBDRN COc1cc(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)ccc1[N+](=O)[O-] ZINC000461203046 823597893 /nfs/dbraw/zinc/59/78/93/823597893.db2.gz UDTUZMOIMNXJAY-KRWDZBQOSA-N 0 0 382.460 4.432 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)nc2c1 ZINC000061461508 823598922 /nfs/dbraw/zinc/59/89/22/823598922.db2.gz CUPNBENQFIYTGF-IBGZPJMESA-N 0 0 389.415 4.238 20 5 GIBDRN O=C(NCCCOC1CCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000061525045 823601340 /nfs/dbraw/zinc/60/13/40/823601340.db2.gz KZRIQFFVGYKPLA-UHFFFAOYSA-N 0 0 383.448 4.418 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000124549348 823605694 /nfs/dbraw/zinc/60/56/94/823605694.db2.gz FRVXUYJRXRHNRP-SNVBAGLBSA-N 0 0 396.802 4.286 20 5 GIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000190770972 823607027 /nfs/dbraw/zinc/60/70/27/823607027.db2.gz UDXZDPFFUAUHNE-UHFFFAOYSA-N 0 0 385.203 4.318 20 5 GIBDRN Cc1c(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411821964 823608585 /nfs/dbraw/zinc/60/85/85/823608585.db2.gz APKNHPMUEJMMJX-PXNSSMCTSA-N 0 0 395.459 4.027 20 5 GIBDRN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)C2)cc1 ZINC000411826035 823609125 /nfs/dbraw/zinc/60/91/25/823609125.db2.gz RZUSWYAWGFOBDR-QGZVFWFLSA-N 0 0 384.432 4.020 20 5 GIBDRN Cc1c(NC(=O)NCCc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000061746323 823611400 /nfs/dbraw/zinc/61/14/00/823611400.db2.gz RRZPRNYGMGWDDB-UHFFFAOYSA-N 0 0 378.226 4.030 20 5 GIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000061865960 823616599 /nfs/dbraw/zinc/61/65/99/823616599.db2.gz QXRGOJMICKQJNB-AUUYWEPGSA-N 0 0 393.447 4.387 20 5 GIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000461322111 823617363 /nfs/dbraw/zinc/61/73/63/823617363.db2.gz XFWHOORVJJABKF-MRXNPFEDSA-N 0 0 385.489 4.058 20 5 GIBDRN Cc1cc(F)c(Br)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000190883626 823619501 /nfs/dbraw/zinc/61/95/01/823619501.db2.gz ZDNDIPRDWWWGSR-UHFFFAOYSA-N 0 0 382.189 4.127 20 5 GIBDRN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124712983 823619913 /nfs/dbraw/zinc/61/99/13/823619913.db2.gz DNXPGWZHENFHRR-UHFFFAOYSA-N 0 0 390.399 4.372 20 5 GIBDRN CCSc1ccc([C@H](C)NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC000412000166 823620172 /nfs/dbraw/zinc/62/01/72/823620172.db2.gz UQQRXMDACATYLF-LBPRGKRZSA-N 0 0 392.452 4.274 20 5 GIBDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000461365655 823623578 /nfs/dbraw/zinc/62/35/78/823623578.db2.gz UEBMNJMJSRNVMG-UHFFFAOYSA-N 0 0 384.367 4.184 20 5 GIBDRN CC(C)Oc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] ZINC000412120531 823627824 /nfs/dbraw/zinc/62/78/24/823627824.db2.gz LBCDWCYUDDXMHO-UHFFFAOYSA-N 0 0 396.447 4.243 20 5 GIBDRN CCCC(=O)Nc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1C ZINC000062298419 823628107 /nfs/dbraw/zinc/62/81/07/823628107.db2.gz WYPZNLPOXCRVSA-UHFFFAOYSA-N 0 0 380.404 4.375 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412125851 823628198 /nfs/dbraw/zinc/62/81/98/823628198.db2.gz GRADLWBHAYZAAE-LJQANCHMSA-N 0 0 397.475 4.123 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124819544 823628563 /nfs/dbraw/zinc/62/85/63/823628563.db2.gz LLSSYCXKTNUFPM-KRWDZBQOSA-N 0 0 386.791 4.118 20 5 GIBDRN CCc1ccc([C@H]2CCCCN2C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])o1 ZINC000412136171 823629280 /nfs/dbraw/zinc/62/92/80/823629280.db2.gz USKFGKQLRQGPQV-MRXNPFEDSA-N 0 0 390.411 4.194 20 5 GIBDRN COc1ccc(SCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124837532 823629821 /nfs/dbraw/zinc/62/98/21/823629821.db2.gz NCTXSQRIIOFINL-UHFFFAOYSA-N 0 0 380.853 4.008 20 5 GIBDRN Cc1ccc(-c2cncc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2)cc1 ZINC000461402349 823630043 /nfs/dbraw/zinc/63/00/43/823630043.db2.gz PTBFOIHKWILALD-UHFFFAOYSA-N 0 0 389.411 4.000 20 5 GIBDRN O=C(N[C@@H](CO)C1CCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000461402792 823630049 /nfs/dbraw/zinc/63/00/49/823630049.db2.gz APABJXBLTSBPFB-SFHVURJKSA-N 0 0 386.473 4.027 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412156241 823631272 /nfs/dbraw/zinc/63/12/72/823631272.db2.gz JSGQEUOIEWAUHY-DOIPELPJSA-N 0 0 380.444 4.043 20 5 GIBDRN COC(=O)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccccc1 ZINC000461422649 823633243 /nfs/dbraw/zinc/63/32/43/823633243.db2.gz IYRKVUIMFQBNDF-NRFANRHFSA-N 0 0 384.435 4.075 20 5 GIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000124886618 823633972 /nfs/dbraw/zinc/63/39/72/823633972.db2.gz WKWSOOSJGGTETF-OLZOCXBDSA-N 0 0 388.807 4.152 20 5 GIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000124887061 823634009 /nfs/dbraw/zinc/63/40/09/823634009.db2.gz WKWSOOSJGGTETF-CHWSQXEVSA-N 0 0 388.807 4.152 20 5 GIBDRN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000461439910 823637939 /nfs/dbraw/zinc/63/79/39/823637939.db2.gz VWDZZOQUMUCKGB-PREGVCBESA-N 0 0 385.464 4.276 20 5 GIBDRN COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000412257503 823640731 /nfs/dbraw/zinc/64/07/31/823640731.db2.gz RTXLICAZIZAMQK-BBWFWOEESA-N 0 0 394.349 4.127 20 5 GIBDRN CC(C)Oc1cc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412265950 823641649 /nfs/dbraw/zinc/64/16/49/823641649.db2.gz FHOJFAVPOYECLA-HKUYNNGSSA-N 0 0 384.432 4.032 20 5 GIBDRN CC(C)(C)OC(=O)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000461470917 823643608 /nfs/dbraw/zinc/64/36/08/823643608.db2.gz JXXDAIMQOZDZFB-UHFFFAOYSA-N 0 0 390.823 4.237 20 5 GIBDRN CC(C)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1Cc1cccs1 ZINC000461482515 823645766 /nfs/dbraw/zinc/64/57/66/823645766.db2.gz IFQUEHKHPZXWEB-UHFFFAOYSA-N 0 0 385.493 4.098 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccccc1Oc1ccccc1 ZINC000062887346 823647003 /nfs/dbraw/zinc/64/70/03/823647003.db2.gz WKHATZDVGMDCNA-UHFFFAOYSA-N 0 0 392.411 4.472 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000412336903 823647943 /nfs/dbraw/zinc/64/79/43/823647943.db2.gz YPWMYXLMQSZTCR-FQEVSTJZSA-N 0 0 390.386 4.232 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCn2c(cc3ccccc32)C1 ZINC000412336483 823647954 /nfs/dbraw/zinc/64/79/54/823647954.db2.gz JPWDTKSSNRXZAP-VQTJNVASSA-N 0 0 375.428 4.086 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[C@H]1C ZINC000412357748 823649516 /nfs/dbraw/zinc/64/95/16/823649516.db2.gz AKUXRZYMBGGVIM-QRMPHRBRSA-N 0 0 393.443 4.098 20 5 GIBDRN O=C(NCc1ccc(OCc2ccccc2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000063069709 823649945 /nfs/dbraw/zinc/64/99/45/823649945.db2.gz MWGVHHZMUSTNDD-UHFFFAOYSA-N 0 0 391.427 4.173 20 5 GIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000063069751 823649983 /nfs/dbraw/zinc/64/99/83/823649983.db2.gz RSFUTULYAJCSMW-SFHVURJKSA-N 0 0 385.420 4.384 20 5 GIBDRN CCCC(=O)Nc1cccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1C ZINC000063123434 823652073 /nfs/dbraw/zinc/65/20/73/823652073.db2.gz CDEHXFSWTQQOKY-UHFFFAOYSA-N 0 0 399.447 4.358 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000125121372 823653037 /nfs/dbraw/zinc/65/30/37/823653037.db2.gz ZTRTWANTKBTHBY-MRXNPFEDSA-N 0 0 393.365 4.330 20 5 GIBDRN Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)sc1C ZINC000412414419 823654173 /nfs/dbraw/zinc/65/41/73/823654173.db2.gz HVRSEKTZXUZYOF-UHFFFAOYSA-N 0 0 377.466 4.120 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c1F ZINC000412430340 823654739 /nfs/dbraw/zinc/65/47/39/823654739.db2.gz UZIGTTNEEFJEGG-OAQYLSRUSA-N 0 0 398.434 4.429 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000125149098 823655167 /nfs/dbraw/zinc/65/51/67/823655167.db2.gz SPGISUZIXARVBG-HXUWFJFHSA-N 0 0 383.448 4.197 20 5 GIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cc2ccccc2s1 ZINC000125150936 823655367 /nfs/dbraw/zinc/65/53/67/823655367.db2.gz UOAXKMDMYFODQH-JLHYYAGUSA-N 0 0 375.409 4.464 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCSC2(CCC2)CC1 ZINC000412459227 823656493 /nfs/dbraw/zinc/65/64/93/823656493.db2.gz ZNBNMDOBMXTWRO-UHFFFAOYSA-N 0 0 392.524 4.043 20 5 GIBDRN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000412459742 823656514 /nfs/dbraw/zinc/65/65/14/823656514.db2.gz DVWWZURQDPKVRN-CABCVRRESA-N 0 0 378.447 4.377 20 5 GIBDRN CCc1nc(CN(C)c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000063255532 823657443 /nfs/dbraw/zinc/65/74/43/823657443.db2.gz BCOIRWCSWYFMHZ-UHFFFAOYSA-N 0 0 383.477 4.270 20 5 GIBDRN O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000063338105 823664253 /nfs/dbraw/zinc/66/42/53/823664253.db2.gz CMJZKVRIFIGYGA-UHFFFAOYSA-N 0 0 383.423 4.143 20 5 GIBDRN C[C@@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000191290385 823667955 /nfs/dbraw/zinc/66/79/55/823667955.db2.gz KOAKCRDNVHSJRX-GFCCVEGCSA-N 0 0 375.375 4.308 20 5 GIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000191292968 823668334 /nfs/dbraw/zinc/66/83/34/823668334.db2.gz BRXJMFDTRVBMEA-UHFFFAOYSA-N 0 0 385.811 4.064 20 5 GIBDRN CC[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])CC(F)(F)F ZINC000412655862 823671321 /nfs/dbraw/zinc/67/13/21/823671321.db2.gz MBICFAFMRBWDTG-ZCFIWIBFSA-N 0 0 389.193 4.127 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000191323788 823671875 /nfs/dbraw/zinc/67/18/75/823671875.db2.gz WDPHNYXLZJILDB-UHFFFAOYSA-N 0 0 388.371 4.051 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000191325291 823672045 /nfs/dbraw/zinc/67/20/45/823672045.db2.gz VVKWDQOBFDBFSI-FQEVSTJZSA-N 0 0 383.448 4.017 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000191328183 823672383 /nfs/dbraw/zinc/67/23/83/823672383.db2.gz XBPBTDZIJJXBGK-QGZVFWFLSA-N 0 0 397.431 4.352 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000461639950 823673934 /nfs/dbraw/zinc/67/39/34/823673934.db2.gz ANOHXSCFBVWWLU-CQSZACIVSA-N 0 0 394.884 4.034 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Oc1cccc(NC(=O)c2ccccc2)c1 ZINC000125434914 823675960 /nfs/dbraw/zinc/67/59/60/823675960.db2.gz MMKSSECQWDUNET-UHFFFAOYSA-N 0 0 390.395 4.385 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000191358985 823676263 /nfs/dbraw/zinc/67/62/63/823676263.db2.gz MGPXKYGPFQKXAL-OAHLLOKOSA-N 0 0 379.420 4.280 20 5 GIBDRN Cc1ccn(-c2ccccc2CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000191360950 823676456 /nfs/dbraw/zinc/67/64/56/823676456.db2.gz OOAOGNVXABERET-UHFFFAOYSA-N 0 0 379.420 4.027 20 5 GIBDRN Cc1nccn1-c1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1F ZINC000191394159 823680100 /nfs/dbraw/zinc/68/01/00/823680100.db2.gz SRGIQBXXXGCGGP-UHFFFAOYSA-N 0 0 397.410 4.167 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000191400910 823681106 /nfs/dbraw/zinc/68/11/06/823681106.db2.gz SPDJZTGEJFRKBG-QAPCUYQASA-N 0 0 391.374 4.142 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cscn2)c([N+](=O)[O-])c1 ZINC000063590619 823681512 /nfs/dbraw/zinc/68/15/12/823681512.db2.gz ZNGAWVLNMLSLKL-LJQANCHMSA-N 0 0 396.472 4.172 20 5 GIBDRN C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000125507487 823681563 /nfs/dbraw/zinc/68/15/63/823681563.db2.gz GSDOIMXVNRGONJ-KBPBESRZSA-N 0 0 378.494 4.005 20 5 GIBDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000125521770 823682518 /nfs/dbraw/zinc/68/25/18/823682518.db2.gz LWTXWOYLWOQWDM-UHFFFAOYSA-N 0 0 389.455 4.460 20 5 GIBDRN COc1ccc(CCNC(=O)c2cc3ccccc3c3cccnc23)c(OC)c1 ZINC000063609474 823682914 /nfs/dbraw/zinc/68/29/14/823682914.db2.gz GZFWZNLVAOIEBV-UHFFFAOYSA-N 0 0 386.451 4.378 20 5 GIBDRN Cc1ccc(C(=O)CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461696504 823682995 /nfs/dbraw/zinc/68/29/95/823682995.db2.gz HOYDRBUONOURSP-FQEVSTJZSA-N 0 0 384.457 4.140 20 5 GIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1csnn1 ZINC000412793810 823683279 /nfs/dbraw/zinc/68/32/79/823683279.db2.gz MLPPWFJLYXNZQA-NSHDSACASA-N 0 0 392.506 4.220 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 ZINC000412810689 823684534 /nfs/dbraw/zinc/68/45/34/823684534.db2.gz KUAXVNFWNZIZED-GFCCVEGCSA-N 0 0 388.445 4.236 20 5 GIBDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000063628783 823684858 /nfs/dbraw/zinc/68/48/58/823684858.db2.gz PTIUQVUHMQBXKS-INIZCTEOSA-N 0 0 394.880 4.391 20 5 GIBDRN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000063716695 823691165 /nfs/dbraw/zinc/69/11/65/823691165.db2.gz UBTWWMGWUMHSEH-UHFFFAOYSA-N 0 0 392.795 4.074 20 5 GIBDRN CCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000412906549 823691905 /nfs/dbraw/zinc/69/19/05/823691905.db2.gz ZLVGBVRZYNJCPS-HNNXBMFYSA-N 0 0 390.480 4.131 20 5 GIBDRN Cc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461778614 823694469 /nfs/dbraw/zinc/69/44/69/823694469.db2.gz IOBYJIVZXGATCU-LLVKDONJSA-N 0 0 383.374 4.064 20 5 GIBDRN Cc1cc(NCc2cn3cc(Br)ccc3n2)c(F)cc1[N+](=O)[O-] ZINC000461779943 823694656 /nfs/dbraw/zinc/69/46/56/823694656.db2.gz LXHWRMZFKPPHEL-UHFFFAOYSA-N 0 0 379.189 4.065 20 5 GIBDRN C[C@H]1CCCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461806914 823698455 /nfs/dbraw/zinc/69/84/55/823698455.db2.gz KASXKCKTMRHNRP-LPHOPBHVSA-N 0 0 399.495 4.191 20 5 GIBDRN C[C@@H](C1CCC1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461808610 823699078 /nfs/dbraw/zinc/69/90/78/823699078.db2.gz NFDUMOXQYNUONC-HNAYVOBHSA-N 0 0 399.495 4.047 20 5 GIBDRN C[C@H](N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1)C1(C)CC1 ZINC000461813681 823700146 /nfs/dbraw/zinc/70/01/46/823700146.db2.gz LRHXPQQQZISNCN-MAUKXSAKSA-N 0 0 399.495 4.047 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c(C(F)(F)F)c1 ZINC000413069298 823703211 /nfs/dbraw/zinc/70/32/11/823703211.db2.gz KSOFPQNTMVHTOM-AWEZNQCLSA-N 0 0 387.745 4.240 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413074249 823703529 /nfs/dbraw/zinc/70/35/29/823703529.db2.gz NWRFSCOIMNJVFB-UONOGXRCSA-N 0 0 388.807 4.152 20 5 GIBDRN O=C(Nc1ccc(OCc2ccncc2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000574346115 823705728 /nfs/dbraw/zinc/70/57/28/823705728.db2.gz FZSSDMBPXIJXIC-UHFFFAOYSA-N 0 0 388.383 4.302 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000574346994 823706025 /nfs/dbraw/zinc/70/60/25/823706025.db2.gz OPYOPLCCCSJSHJ-INIZCTEOSA-N 0 0 377.322 4.418 20 5 GIBDRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000063900529 823707890 /nfs/dbraw/zinc/70/78/90/823707890.db2.gz RONBUQNJGMKZIX-UHFFFAOYSA-N 0 0 381.388 4.138 20 5 GIBDRN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000063911351 823710249 /nfs/dbraw/zinc/71/02/49/823710249.db2.gz HEJUTOYANBKPOJ-UHFFFAOYSA-N 0 0 398.721 4.207 20 5 GIBDRN CC(C)(C)OCc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000125808824 823716372 /nfs/dbraw/zinc/71/63/72/823716372.db2.gz JISCIWJIWQUAKI-UHFFFAOYSA-N 0 0 395.459 4.250 20 5 GIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413160956 823718614 /nfs/dbraw/zinc/71/86/14/823718614.db2.gz VHODQXPPDVJPIR-CQSZACIVSA-N 0 0 383.427 4.444 20 5 GIBDRN CO[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000191629375 823718501 /nfs/dbraw/zinc/71/85/01/823718501.db2.gz BBAZAEJLKBVYIG-GOEBONIOSA-N 0 0 378.494 4.174 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000163561719 823721780 /nfs/dbraw/zinc/72/17/80/823721780.db2.gz FGRYXURJWJXLBI-YWZLYKJASA-N 0 0 399.447 4.042 20 5 GIBDRN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2OC)cc1 ZINC000163574122 823723866 /nfs/dbraw/zinc/72/38/66/823723866.db2.gz VEGRNHARLVZZNX-IBGZPJMESA-N 0 0 398.440 4.193 20 5 GIBDRN Cc1cc(N[C@@H](C)c2noc(COC(C)C)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461863793 823726587 /nfs/dbraw/zinc/72/65/87/823726587.db2.gz BVKHUZCKOGGDDT-JTQLQIEISA-N 0 0 388.346 4.403 20 5 GIBDRN COCCOCc1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000461865073 823727285 /nfs/dbraw/zinc/72/72/85/823727285.db2.gz GXZJZIXPLIAXHA-UHFFFAOYSA-N 0 0 384.354 4.389 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)n1 ZINC000191669294 823727995 /nfs/dbraw/zinc/72/79/95/823727995.db2.gz BENJTQSSADNETA-UHFFFAOYSA-N 0 0 388.330 4.134 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nnc(-c2ccccc2)s1 ZINC000125882198 823736009 /nfs/dbraw/zinc/73/60/09/823736009.db2.gz MNAWCHPPOIJBCD-UHFFFAOYSA-N 0 0 392.234 4.455 20 5 GIBDRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000125890115 823738194 /nfs/dbraw/zinc/73/81/94/823738194.db2.gz ZVZAHVKWWQVNEV-UHFFFAOYSA-N 0 0 395.362 4.462 20 5 GIBDRN Cc1cc(N2CCC[C@@](CO)(Cc3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000461885419 823738773 /nfs/dbraw/zinc/73/87/73/823738773.db2.gz UUVSJNNFPPVANY-HSZRJFAPSA-N 0 0 391.471 4.273 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(C)c1OC ZINC000574478913 823741404 /nfs/dbraw/zinc/74/14/04/823741404.db2.gz BZOPYUUCWPZOBE-GFCCVEGCSA-N 0 0 390.461 4.133 20 5 GIBDRN Cc1c(Br)c(N2CC[C@H](c3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC000574485600 823743824 /nfs/dbraw/zinc/74/38/24/823743824.db2.gz OBKPZZLTIIJPTL-LBPRGKRZSA-N 0 0 380.217 4.194 20 5 GIBDRN O=[N+]([O-])c1ccc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2cccnc21 ZINC000413280458 823744216 /nfs/dbraw/zinc/74/42/16/823744216.db2.gz KTNHKVKCAKXBRO-HBFSDRIKSA-N 0 0 375.428 4.152 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c2cccnc21 ZINC000413280302 823744356 /nfs/dbraw/zinc/74/43/56/823744356.db2.gz IORGUFSDGKHRAQ-OAHLLOKOSA-N 0 0 377.448 4.060 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc21 ZINC000125924880 823745222 /nfs/dbraw/zinc/74/52/22/823745222.db2.gz GIPHITCQWFMJHJ-UHFFFAOYSA-N 0 0 392.864 4.190 20 5 GIBDRN CC(F)(F)c1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000191720905 823746419 /nfs/dbraw/zinc/74/64/19/823746419.db2.gz YUPNNUSNRRVDMY-UHFFFAOYSA-N 0 0 377.347 4.002 20 5 GIBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000413305491 823749473 /nfs/dbraw/zinc/74/94/73/823749473.db2.gz RTSKOBDZDYDEIU-MEBBXXQBSA-N 0 0 385.317 4.114 20 5 GIBDRN O=C(Cc1ccc(Br)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163823748 823752099 /nfs/dbraw/zinc/75/20/99/823752099.db2.gz MUTJZFBNDKZYQC-UHFFFAOYSA-N 0 0 389.249 4.091 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCc2ccccc23)cc1OC(F)F ZINC000413341926 823756047 /nfs/dbraw/zinc/75/60/47/823756047.db2.gz YGCRSNDLDAEHDS-UHFFFAOYSA-N 0 0 390.386 4.265 20 5 GIBDRN CC(C)(C)Oc1cccc(CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000163884112 823757195 /nfs/dbraw/zinc/75/71/95/823757195.db2.gz VNSHGYJNJIBGOE-UHFFFAOYSA-N 0 0 397.475 4.291 20 5 GIBDRN O=C(Cc1coc(-c2cccs2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163897043 823758637 /nfs/dbraw/zinc/75/86/37/823758637.db2.gz AAYITMSEFWNUBR-UHFFFAOYSA-N 0 0 383.429 4.045 20 5 GIBDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000574547842 823761799 /nfs/dbraw/zinc/76/17/99/823761799.db2.gz SYOIERFMDJBAAA-GFCCVEGCSA-N 0 0 391.221 4.114 20 5 GIBDRN COc1cc(N2CCC[C@H]2c2ccc(Br)cn2)c(F)cc1[N+](=O)[O-] ZINC000413373286 823762471 /nfs/dbraw/zinc/76/24/71/823762471.db2.gz JWUHDCSKAUOMAX-ZDUSSCGKSA-N 0 0 396.216 4.242 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000413382279 823764658 /nfs/dbraw/zinc/76/46/58/823764658.db2.gz YLAOJZTVAWSHGG-HNNXBMFYSA-N 0 0 388.859 4.381 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc([N+](=O)[O-])c1 ZINC000461949314 823768827 /nfs/dbraw/zinc/76/88/27/823768827.db2.gz UXDHAFJBNDXUNV-IFXJQAMLSA-N 0 0 397.479 4.344 20 5 GIBDRN Cc1cc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000461958321 823771593 /nfs/dbraw/zinc/77/15/93/823771593.db2.gz MZCZVKZRGLTKNC-NSHDSACASA-N 0 0 386.349 4.179 20 5 GIBDRN Cc1cc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000461958320 823771690 /nfs/dbraw/zinc/77/16/90/823771690.db2.gz MZCZVKZRGLTKNC-LLVKDONJSA-N 0 0 386.349 4.179 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)c2c1 ZINC000413412782 823771980 /nfs/dbraw/zinc/77/19/80/823771980.db2.gz VSWLXBHAEVIPCB-INIZCTEOSA-N 0 0 395.381 4.328 20 5 GIBDRN Cc1cc(N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000461962491 823773043 /nfs/dbraw/zinc/77/30/43/823773043.db2.gz ZVIVSVPSSFADNQ-BBRMVZONSA-N 0 0 384.329 4.373 20 5 GIBDRN Cc1cc(NCc2cccc(N3CCC3=O)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965032 823774778 /nfs/dbraw/zinc/77/47/78/823774778.db2.gz WXYTUJNYQUSMTR-UHFFFAOYSA-N 0 0 379.338 4.271 20 5 GIBDRN CCc1n[nH]c(=O)c(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)c1CC ZINC000461975409 823779081 /nfs/dbraw/zinc/77/90/81/823779081.db2.gz XROPLIJTTFPCEC-UHFFFAOYSA-N 0 0 384.358 4.155 20 5 GIBDRN CC(C)n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C2CCOCC2)CC1 ZINC000574608880 823779642 /nfs/dbraw/zinc/77/96/42/823779642.db2.gz RJHVKYFHLDYLKO-UHFFFAOYSA-N 0 0 399.495 4.077 20 5 GIBDRN COc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413457561 823781773 /nfs/dbraw/zinc/78/17/73/823781773.db2.gz VNJVPNVPVWOJHL-UHFFFAOYSA-N 0 0 378.812 4.321 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Cc2ccccc2)C1 ZINC000126080021 823781824 /nfs/dbraw/zinc/78/18/24/823781824.db2.gz CQNGKNXEMUZWIF-AWEZNQCLSA-N 0 0 389.249 4.062 20 5 GIBDRN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000126080998 823782352 /nfs/dbraw/zinc/78/23/52/823782352.db2.gz VONPOKQWSMQVFH-UHFFFAOYSA-N 0 0 395.843 4.193 20 5 GIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413482218 823785347 /nfs/dbraw/zinc/78/53/47/823785347.db2.gz YLQYQNODCHVHNZ-WOZUAGRISA-N 0 0 396.443 4.019 20 5 GIBDRN CSCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164259865 823790189 /nfs/dbraw/zinc/79/01/89/823790189.db2.gz KHJOCHYZVSDRET-ZBFHGGJFSA-N 0 0 385.493 4.091 20 5 GIBDRN CC(C)N(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350064 823798605 /nfs/dbraw/zinc/79/86/05/823798605.db2.gz BJFSIHXRISELQA-QFIPXVFZSA-N 0 0 381.476 4.073 20 5 GIBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000126151323 823800330 /nfs/dbraw/zinc/80/03/30/823800330.db2.gz RRRGNZOVRHHVOO-CQSZACIVSA-N 0 0 389.249 4.062 20 5 GIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000413596939 823802378 /nfs/dbraw/zinc/80/23/78/823802378.db2.gz SNJNIBITFNSTRZ-HNNXBMFYSA-N 0 0 376.453 4.136 20 5 GIBDRN O=C(C[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000413615358 823803839 /nfs/dbraw/zinc/80/38/39/823803839.db2.gz HZEUKSXVFYOWOJ-CEXWTWQISA-N 0 0 396.443 4.336 20 5 GIBDRN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1Cl ZINC000413617855 823804002 /nfs/dbraw/zinc/80/40/02/823804002.db2.gz KWBIPRIGFROTDD-UHFFFAOYSA-N 0 0 378.812 4.321 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)n1 ZINC000191892446 823805711 /nfs/dbraw/zinc/80/57/11/823805711.db2.gz HICPHHKPWJIZLI-UHFFFAOYSA-N 0 0 399.838 4.329 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000064387043 823807132 /nfs/dbraw/zinc/80/71/32/823807132.db2.gz QCQDVPRELIMDNJ-QWRGUYRKSA-N 0 0 397.175 4.378 20 5 GIBDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126224691 823815896 /nfs/dbraw/zinc/81/58/96/823815896.db2.gz BFCRCMXSBJCRQU-MSOLQXFVSA-N 0 0 386.473 4.138 20 5 GIBDRN C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000126243271 823819852 /nfs/dbraw/zinc/81/98/52/823819852.db2.gz VVRMCBDGDLTQHX-SECBINFHSA-N 0 0 399.191 4.469 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCN(c2ccccc2Cl)CC1 ZINC000574787551 823826642 /nfs/dbraw/zinc/82/66/42/823826642.db2.gz DXFYTDQACOMZIM-UHFFFAOYSA-N 0 0 394.258 4.254 20 5 GIBDRN CCCn1nc(C)c(C(=O)Nc2cc(CC)nc3ccc([N+](=O)[O-])cc32)c1C ZINC000191979471 823830294 /nfs/dbraw/zinc/83/02/94/823830294.db2.gz AUGMNKBARPXLCF-UHFFFAOYSA-N 0 0 381.436 4.181 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1OC(F)F ZINC000462112986 823831725 /nfs/dbraw/zinc/83/17/25/823831725.db2.gz QNRKYEJLBOSVEJ-UHFFFAOYSA-N 0 0 383.782 4.176 20 5 GIBDRN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000462114142 823832494 /nfs/dbraw/zinc/83/24/94/823832494.db2.gz VBHWKPSPMWQWAP-NSHDSACASA-N 0 0 394.396 4.105 20 5 GIBDRN Cc1c(NC(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000574805177 823832455 /nfs/dbraw/zinc/83/24/55/823832455.db2.gz WLHYAHMQVUOIGR-GOSISDBHSA-N 0 0 399.838 4.201 20 5 GIBDRN CC1(C)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC2(CCCC2)O1 ZINC000574834069 823837338 /nfs/dbraw/zinc/83/73/38/823837338.db2.gz IVFRGZUCYWWDFB-UHFFFAOYSA-N 0 0 390.483 4.245 20 5 GIBDRN Cc1c(Cc2noc([C@@H]3CCN(c4ccccc4)[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000574843592 823840445 /nfs/dbraw/zinc/84/04/45/823840445.db2.gz NVFZOVLCFTZKCS-MAUKXSAKSA-N 0 0 378.432 4.259 20 5 GIBDRN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000165466046 823849851 /nfs/dbraw/zinc/84/98/51/823849851.db2.gz ZMVFQGHBGSAGSQ-JKSUJKDBSA-N 0 0 380.448 4.241 20 5 GIBDRN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000165465833 823849989 /nfs/dbraw/zinc/84/99/89/823849989.db2.gz ZMVFQGHBGSAGSQ-HOTGVXAUSA-N 0 0 380.448 4.241 20 5 GIBDRN Cn1ccc([C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccc(Cl)cc2)n1 ZINC000574889998 823852351 /nfs/dbraw/zinc/85/23/51/823852351.db2.gz LJKXFVDQKMXYDJ-XLIONFOSSA-N 0 0 382.851 4.348 20 5 GIBDRN COC(=O)c1csc(Sc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000574929851 823862597 /nfs/dbraw/zinc/86/25/97/823862597.db2.gz XIIAYNBTLGMPOY-UHFFFAOYSA-N 0 0 378.353 4.316 20 5 GIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000574934123 823864177 /nfs/dbraw/zinc/86/41/77/823864177.db2.gz ZJPIUGUANZARIW-HBFSDRIKSA-N 0 0 375.428 4.152 20 5 GIBDRN COc1ccccc1C[C@@H](C)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574939964 823865368 /nfs/dbraw/zinc/86/53/68/823865368.db2.gz NOHAWCKWFBOIBD-OAHLLOKOSA-N 0 0 395.459 4.012 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1(c2cccc(Cl)c2)CCOCC1 ZINC000064697064 823866762 /nfs/dbraw/zinc/86/67/62/823866762.db2.gz BGFGOXNJVPYLQZ-UHFFFAOYSA-N 0 0 378.787 4.074 20 5 GIBDRN O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126438256 823867483 /nfs/dbraw/zinc/86/74/83/823867483.db2.gz ISTMRIKOAKPUFR-UHFFFAOYSA-N 0 0 397.431 4.131 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc(C(=O)N2CCCC2)c1 ZINC000462209058 823872077 /nfs/dbraw/zinc/87/20/77/823872077.db2.gz NQFOTXZXBMEJNW-UHFFFAOYSA-N 0 0 383.448 4.230 20 5 GIBDRN O=C(N[C@H]1CCc2sc(Cl)cc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000574966010 823874625 /nfs/dbraw/zinc/87/46/25/823874625.db2.gz HHHKHZNHXGAIGN-VIFPVBQESA-N 0 0 388.779 4.328 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000126479334 823878738 /nfs/dbraw/zinc/87/87/38/823878738.db2.gz IHUAZDIPMBGDKI-SIKLNZKXSA-N 0 0 382.460 4.038 20 5 GIBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1c[nH]c2ncccc12 ZINC000126482506 823880119 /nfs/dbraw/zinc/88/01/19/823880119.db2.gz WXGKAIRUMNBEAN-UHFFFAOYSA-N 0 0 397.391 4.294 20 5 GIBDRN CC(C)CCOc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000064752229 823880568 /nfs/dbraw/zinc/88/05/68/823880568.db2.gz KUQAEIMRHCYRAA-UHFFFAOYSA-N 0 0 394.431 4.458 20 5 GIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000126484738 823881089 /nfs/dbraw/zinc/88/10/89/823881089.db2.gz MCAFYDIUWVQVMW-IEBWSBKVSA-N 0 0 399.491 4.313 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1[N+](=O)[O-] ZINC000413972477 823881414 /nfs/dbraw/zinc/88/14/14/823881414.db2.gz KDGJBWBBZOIMMU-QGZVFWFLSA-N 0 0 381.432 4.096 20 5 GIBDRN Cc1cccc([C@@H]2CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000166918665 823884403 /nfs/dbraw/zinc/88/44/03/823884403.db2.gz YZVCDTIIRYLKPW-SFHVURJKSA-N 0 0 394.456 4.399 20 5 GIBDRN O=C(Nc1ccc(-n2ccnc2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126499827 823884771 /nfs/dbraw/zinc/88/47/71/823884771.db2.gz OKHFVACCTKUCSG-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000414020080 823890904 /nfs/dbraw/zinc/89/09/04/823890904.db2.gz QXGBBYXYENXPRT-ZDUSSCGKSA-N 0 0 396.871 4.222 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)ccc1OCC1CC1 ZINC000192174689 823891434 /nfs/dbraw/zinc/89/14/34/823891434.db2.gz MKVPQPMKHMNRQT-UHFFFAOYSA-N 0 0 378.787 4.357 20 5 GIBDRN Cc1cccc([C@@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000167494140 823892592 /nfs/dbraw/zinc/89/25/92/823892592.db2.gz XEENLWALUYUPDW-INIZCTEOSA-N 0 0 389.839 4.084 20 5 GIBDRN C[C@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccn2)C1 ZINC000462247662 823896152 /nfs/dbraw/zinc/89/61/52/823896152.db2.gz PHTMBGYJSHPTQP-INIZCTEOSA-N 0 0 394.475 4.031 20 5 GIBDRN C[C@H](NC(=O)c1cc(Br)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000192198496 823898533 /nfs/dbraw/zinc/89/85/33/823898533.db2.gz ZTOUYIRWMHWOMD-QMMMGPOBSA-N 0 0 385.164 4.127 20 5 GIBDRN CCOc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000064849134 823899915 /nfs/dbraw/zinc/89/99/15/823899915.db2.gz FPGFVUXWMZKCLO-UHFFFAOYSA-N 0 0 384.310 4.030 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSc2ccccc21 ZINC000064870526 823904467 /nfs/dbraw/zinc/90/44/67/823904467.db2.gz ULLJJLFSPWDIHH-UHFFFAOYSA-N 0 0 383.454 4.471 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000575070241 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O=C(c1ccc(Oc2cccnc2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120969320 823095052 /nfs/dbraw/zinc/09/50/52/823095052.db2.gz CMFUEZASIZULED-UHFFFAOYSA-N 0 0 375.384 4.375 20 5 GIBDRN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000176022597 823098026 /nfs/dbraw/zinc/09/80/26/823098026.db2.gz LGMMDBWLRZRDAA-SECBINFHSA-N 0 0 399.191 4.169 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000176017601 823096912 /nfs/dbraw/zinc/09/69/12/823096912.db2.gz BGHKDJLQLHVEFE-GFCCVEGCSA-N 0 0 381.392 4.090 20 5 GIBDRN COc1ccccc1-c1nc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000120996650 823099748 /nfs/dbraw/zinc/09/97/48/823099748.db2.gz IPBMFQRIAFDNDB-UHFFFAOYSA-N 0 0 395.440 4.320 20 5 GIBDRN C[C@@H](Nc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056188730 823099768 /nfs/dbraw/zinc/09/97/68/823099768.db2.gz MXDYAXWHOJQJRQ-OAHLLOKOSA-N 0 0 395.415 4.344 20 5 GIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000121005691 823101612 /nfs/dbraw/zinc/10/16/12/823101612.db2.gz REBORDKIQDFKHW-UHFFFAOYSA-N 0 0 382.332 4.027 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000056200653 823101645 /nfs/dbraw/zinc/10/16/45/823101645.db2.gz JQUFHMIKNDVTGD-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc([N+](=O)[O-])c1 ZINC000056208133 823103536 /nfs/dbraw/zinc/10/35/36/823103536.db2.gz YJRNKARUXVBNND-UHFFFAOYSA-N 0 0 382.323 4.113 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000121018843 823103889 /nfs/dbraw/zinc/10/38/89/823103889.db2.gz ZACANQDRBOYNNA-IINYFYTJSA-N 0 0 380.828 4.395 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000176044879 823105291 /nfs/dbraw/zinc/10/52/91/823105291.db2.gz DJIGVXKYRBWKNN-GFCCVEGCSA-N 0 0 379.363 4.065 20 5 GIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000056224265 823107027 /nfs/dbraw/zinc/10/70/27/823107027.db2.gz IAYSRWUNQSYKRU-UHFFFAOYSA-N 0 0 385.395 4.049 20 5 GIBDRN Cc1cc(OC[C@H](O)COC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000570994778 823117338 /nfs/dbraw/zinc/11/73/38/823117338.db2.gz POZFVVWGWYICQG-FQEVSTJZSA-N 0 0 393.439 4.449 20 5 GIBDRN Cc1csc(CCCCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000176103569 823121660 /nfs/dbraw/zinc/12/16/60/823121660.db2.gz RWNPEXUBPARJLS-CQSZACIVSA-N 0 0 376.482 4.051 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000056288776 823122085 /nfs/dbraw/zinc/12/20/85/823122085.db2.gz MRYOAEFUHZMRQK-UHFFFAOYSA-N 0 0 396.472 4.494 20 5 GIBDRN O=C(NC1CC(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121121239 823122177 /nfs/dbraw/zinc/12/21/77/823122177.db2.gz NUXORLDAPKXIOO-UHFFFAOYSA-N 0 0 375.222 4.033 20 5 GIBDRN C[C@H](C(=O)NCc1ccnc(OC2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000571035691 823123259 /nfs/dbraw/zinc/12/32/59/823123259.db2.gz YFKICHLUEYNEGF-HNNXBMFYSA-N 0 0 383.448 4.121 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000056303379 823124031 /nfs/dbraw/zinc/12/40/31/823124031.db2.gz SUJMMVACTMCAGI-AWEZNQCLSA-N 0 0 390.823 4.367 20 5 GIBDRN CC(=O)c1cc(Br)ccc1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000121151303 823128031 /nfs/dbraw/zinc/12/80/31/823128031.db2.gz SZIYIWJFROINHC-UHFFFAOYSA-N 0 0 392.205 4.098 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000176123613 823128385 /nfs/dbraw/zinc/12/83/85/823128385.db2.gz SUOOYKITWVPTNE-HRAATJIYSA-N 0 0 390.443 4.448 20 5 GIBDRN CC(C)(C(=O)N1CCCn2c(cc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1F ZINC000571079552 823129103 /nfs/dbraw/zinc/12/91/03/823129103.db2.gz XAYYZNJLAMTUJW-UHFFFAOYSA-N 0 0 395.434 4.399 20 5 GIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)c1 ZINC000056337933 823130614 /nfs/dbraw/zinc/13/06/14/823130614.db2.gz WKTMYXNZGSEPAI-UHFFFAOYSA-N 0 0 393.443 4.377 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1OC ZINC000056350935 823134535 /nfs/dbraw/zinc/13/45/35/823134535.db2.gz ZZIVUNPMNVMLPZ-HNNXBMFYSA-N 0 0 390.823 4.073 20 5 GIBDRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121194683 823136268 /nfs/dbraw/zinc/13/62/68/823136268.db2.gz VXSHABLSGPTDLA-UHFFFAOYSA-N 0 0 383.791 4.415 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459205754 823144007 /nfs/dbraw/zinc/14/40/07/823144007.db2.gz JSSOVZXNJMYDNP-INIZCTEOSA-N 0 0 382.464 4.075 20 5 GIBDRN O=C(NCc1cccc2cccnc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121233221 823144016 /nfs/dbraw/zinc/14/40/16/823144016.db2.gz ONVBIZCLKMRJRD-UHFFFAOYSA-N 0 0 376.416 4.017 20 5 GIBDRN Cc1nn(C)c(C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000121260469 823150077 /nfs/dbraw/zinc/15/00/77/823150077.db2.gz NMIYYJXNVJPOKC-AWEZNQCLSA-N 0 0 378.860 4.197 20 5 GIBDRN C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571225304 823151534 /nfs/dbraw/zinc/15/15/34/823151534.db2.gz NTTRAKVJLXJXRO-PDSMFRHLSA-N 0 0 392.814 4.137 20 5 GIBDRN CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000571239117 823153769 /nfs/dbraw/zinc/15/37/69/823153769.db2.gz DIGYAXNACXNVSK-OAHLLOKOSA-N 0 0 398.868 4.029 20 5 GIBDRN O=C(c1[nH]c2ccccc2c1Br)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000056458791 823154311 /nfs/dbraw/zinc/15/43/11/823154311.db2.gz ISSKOIVZADRVKF-UHFFFAOYSA-N 0 0 386.205 4.042 20 5 GIBDRN O=C(NC1CCC(C(F)F)CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459273838 823155031 /nfs/dbraw/zinc/15/50/31/823155031.db2.gz HWMRBFJSIPCVBQ-HWOWSKLDSA-N 0 0 381.423 4.308 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000176221029 823155871 /nfs/dbraw/zinc/15/58/71/823155871.db2.gz KKQGKEOSOAPIHA-UHFFFAOYSA-N 0 0 382.395 4.422 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000459293510 823157411 /nfs/dbraw/zinc/15/74/11/823157411.db2.gz BIHFTXRAOJGSQM-HNNXBMFYSA-N 0 0 395.868 4.335 20 5 GIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176244551 823161818 /nfs/dbraw/zinc/16/18/18/823161818.db2.gz RYRVCZKMLWKAKG-LBPRGKRZSA-N 0 0 394.880 4.415 20 5 GIBDRN Cc1c(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000056546391 823166163 /nfs/dbraw/zinc/16/61/63/823166163.db2.gz PQVHQEYUVVCNAD-KRWDZBQOSA-N 0 0 375.812 4.162 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000056545919 823166207 /nfs/dbraw/zinc/16/62/07/823166207.db2.gz FSZHYBDSMXNEJQ-DLBZAZTESA-N 0 0 393.802 4.429 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1SC ZINC000571332530 823166579 /nfs/dbraw/zinc/16/65/79/823166579.db2.gz WVVZVTVQSZQYJG-WDEREUQCSA-N 0 0 392.399 4.176 20 5 GIBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264460 823167210 /nfs/dbraw/zinc/16/72/10/823167210.db2.gz WFAHWMMQSCILJB-KPHLJTLVSA-N 0 0 395.868 4.211 20 5 GIBDRN C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCC1(F)F ZINC000571370769 823173288 /nfs/dbraw/zinc/17/32/88/823173288.db2.gz BQDWMQDWYCVRPS-SECBINFHSA-N 0 0 386.196 4.387 20 5 GIBDRN O=C(N[C@H]1CCCOc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121381252 823174054 /nfs/dbraw/zinc/17/40/54/823174054.db2.gz XCPZJMAZYOSINU-SFHVURJKSA-N 0 0 381.432 4.183 20 5 GIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC000176310068 823178806 /nfs/dbraw/zinc/17/88/06/823178806.db2.gz VGCQPDZKVCWRSW-LLVKDONJSA-N 0 0 394.884 4.189 20 5 GIBDRN O=C(CCCc1ncc(-c2ccccc2)o1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121422984 823181544 /nfs/dbraw/zinc/18/15/44/823181544.db2.gz WKPZVGCXSQBQIY-UHFFFAOYSA-N 0 0 391.427 4.157 20 5 GIBDRN Cc1ccc(Cc2nnc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])s2)cc1 ZINC000176325164 823182148 /nfs/dbraw/zinc/18/21/48/823182148.db2.gz GRWBBNMBPVQKNI-UHFFFAOYSA-N 0 0 388.836 4.251 20 5 GIBDRN Cc1c(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cnn1C ZINC000176326351 823182403 /nfs/dbraw/zinc/18/24/03/823182403.db2.gz KZIYEZKULOGXBK-UHFFFAOYSA-N 0 0 382.445 4.349 20 5 GIBDRN Cc1ccc(-n2cccn2)cc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188093115 823185129 /nfs/dbraw/zinc/18/51/29/823185129.db2.gz XFAMACZAUKHBDH-UHFFFAOYSA-N 0 0 388.431 4.102 20 5 GIBDRN CO[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000188178948 823198932 /nfs/dbraw/zinc/19/89/32/823198932.db2.gz KYYLUXWXVJWZSF-AWEZNQCLSA-N 0 0 380.853 4.088 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000056726773 823200950 /nfs/dbraw/zinc/20/09/50/823200950.db2.gz SXCQFLKMBFUVHA-MAUKXSAKSA-N 0 0 399.447 4.425 20 5 GIBDRN CCc1[nH]nc(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1[N+](=O)[O-] ZINC000188232218 823207157 /nfs/dbraw/zinc/20/71/57/823207157.db2.gz LUKAOFCKCQFLFB-UHFFFAOYSA-N 0 0 380.404 4.020 20 5 GIBDRN Cc1nc(CC(C)C)oc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000188272101 823212277 /nfs/dbraw/zinc/21/22/77/823212277.db2.gz LWVNWQPJNDNKEI-UHFFFAOYSA-N 0 0 386.433 4.466 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000571623213 823210910 /nfs/dbraw/zinc/21/09/10/823210910.db2.gz 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CSc1ccc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000571742768 823228451 /nfs/dbraw/zinc/22/84/51/823228451.db2.gz FHWOVHVOXSKSBW-GOSISDBHSA-N 0 0 378.400 4.167 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccs1)C(C)(C)CO ZINC000459586485 823225920 /nfs/dbraw/zinc/22/59/20/823225920.db2.gz UCXOCHYDZZSFBR-INIZCTEOSA-N 0 0 377.466 4.100 20 5 GIBDRN Cc1nc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1-c1ccccc1 ZINC000571729030 823226252 /nfs/dbraw/zinc/22/62/52/823226252.db2.gz PERQRGBZHNLTPE-UHFFFAOYSA-N 0 0 399.410 4.403 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000121668019 823226436 /nfs/dbraw/zinc/22/64/36/823226436.db2.gz ZCRHMQONBMXCGP-CJNGLKHVSA-N 0 0 383.404 4.138 20 5 GIBDRN CC(C)N(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CCC1 ZINC000121669556 823226844 /nfs/dbraw/zinc/22/68/44/823226844.db2.gz WBTIVYDOBMIQTF-UHFFFAOYSA-N 0 0 397.262 4.490 20 5 GIBDRN CC(C)c1nnc2n1CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)[C@@H]2C ZINC000188451697 823242455 /nfs/dbraw/zinc/24/24/55/823242455.db2.gz ZRTJEAKEHYJIHP-CYBMUJFWSA-N 0 0 398.492 4.010 20 5 GIBDRN O=C(Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1)c1ccccc1 ZINC000121744169 823241383 /nfs/dbraw/zinc/24/13/83/823241383.db2.gz ZPVCFBRCELGIHD-UHFFFAOYSA-N 0 0 379.347 4.239 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000121760708 823244872 /nfs/dbraw/zinc/24/48/72/823244872.db2.gz SIFUGJKDTOKKLF-LLVKDONJSA-N 0 0 377.784 4.298 20 5 GIBDRN Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121762058 823245210 /nfs/dbraw/zinc/24/52/10/823245210.db2.gz HDOFUKNJUTWMDI-UHFFFAOYSA-N 0 0 377.784 4.045 20 5 GIBDRN COCCOc1ccc([C@H](C)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1OC ZINC000121773445 823247645 /nfs/dbraw/zinc/24/76/45/823247645.db2.gz ZMVWKSZOFYLWNS-AWEZNQCLSA-N 0 0 397.431 4.350 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121777633 823248461 /nfs/dbraw/zinc/24/84/61/823248461.db2.gz RHLVTAZZPCJGIQ-DLBZAZTESA-N 0 0 390.443 4.107 20 5 GIBDRN CCC[C@H](NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000409561386 823249688 /nfs/dbraw/zinc/24/96/88/823249688.db2.gz GXLXVXMFKNNMTM-INIZCTEOSA-N 0 0 378.469 4.481 20 5 GIBDRN Cc1nc(COC(C)(C)C)oc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571885083 823249763 /nfs/dbraw/zinc/24/97/63/823249763.db2.gz AJCOOHQGRRSRNC-UHFFFAOYSA-N 0 0 387.436 4.011 20 5 GIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2cccc(Cl)c2C1 ZINC000459682365 823249772 /nfs/dbraw/zinc/24/97/72/823249772.db2.gz RNBWFFKZFUDBNP-GFCCVEGCSA-N 0 0 384.823 4.418 20 5 GIBDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000409566245 823250474 /nfs/dbraw/zinc/25/04/74/823250474.db2.gz VZGHVNDTFCUZSZ-OAHLLOKOSA-N 0 0 397.765 4.436 20 5 GIBDRN CN(c1ccccc1)c1ccc(CNCc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000459699022 823252814 /nfs/dbraw/zinc/25/28/14/823252814.db2.gz IZELRZYNSFAAPT-UHFFFAOYSA-N 0 0 394.479 4.068 20 5 GIBDRN CN(C(=O)c1nc2ccccc2cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000571920019 823254279 /nfs/dbraw/zinc/25/42/79/823254279.db2.gz MXQWLHOZUCLZTD-UHFFFAOYSA-N 0 0 386.205 4.182 20 5 GIBDRN CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000057148547 823255116 /nfs/dbraw/zinc/25/51/16/823255116.db2.gz UWNNSPMYSYBJLN-IBGZPJMESA-N 0 0 396.468 4.493 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(OC(F)F)cc1 ZINC000121815482 823256924 /nfs/dbraw/zinc/25/69/24/823256924.db2.gz BXYCYJJPJYTPKH-LLVKDONJSA-N 0 0 387.342 4.235 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000121819656 823257391 /nfs/dbraw/zinc/25/73/91/823257391.db2.gz AWHKXTLSHWVKGT-SJORKVTESA-N 0 0 390.443 4.107 20 5 GIBDRN CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000000745212 817373519 /nfs/dbraw/zinc/37/35/19/817373519.db2.gz HGVZHFFOKQRSKQ-UHFFFAOYSA-N 0 0 382.395 4.469 20 5 GIBDRN Cc1sc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)nc1-c1ccccc1 ZINC000001284604 817375745 /nfs/dbraw/zinc/37/57/45/817375745.db2.gz PIJNDIAYNBANGY-UHFFFAOYSA-N 0 0 383.429 4.353 20 5 GIBDRN Cc1c(C(=O)N2c3ccccc3SC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176656462 823258943 /nfs/dbraw/zinc/25/89/43/823258943.db2.gz VYISOVHQWQAJAR-SNVBAGLBSA-N 0 0 387.417 4.261 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001982748 817379004 /nfs/dbraw/zinc/37/90/04/817379004.db2.gz NPDOMSPUCMMTPY-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@@H]1CSc2ccccc2N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000176658986 823259706 /nfs/dbraw/zinc/25/97/06/823259706.db2.gz BXPAKAKHBZYWOG-OAHLLOKOSA-N 0 0 397.500 4.339 20 5 GIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000176660228 823260271 /nfs/dbraw/zinc/26/02/71/823260271.db2.gz XGTDRXUIGKADJI-AWEZNQCLSA-N 0 0 382.395 4.027 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1NCc1nccn1CCCc1ccccc1)CCN2 ZINC000188555735 823261484 /nfs/dbraw/zinc/26/14/84/823261484.db2.gz GSODULZIZBCLMA-UHFFFAOYSA-N 0 0 377.448 4.004 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000121850014 823262721 /nfs/dbraw/zinc/26/27/21/823262721.db2.gz VLODPIYOQIIKAR-SJORKVTESA-N 0 0 390.443 4.107 20 5 GIBDRN C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003370929 817443336 /nfs/dbraw/zinc/44/33/36/817443336.db2.gz PQAUPJRYRPDPAJ-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003386600 817446712 /nfs/dbraw/zinc/44/67/12/817446712.db2.gz ZVXCRJNCGAVUNL-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN O=C(COC(=O)c1cccc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003441489 817456149 /nfs/dbraw/zinc/45/61/49/817456149.db2.gz JBKBVFDJJXFFTR-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1Cc1ccco1 ZINC000003444250 817456955 /nfs/dbraw/zinc/45/69/55/817456955.db2.gz YZMUYOBSVIHTTD-UHFFFAOYSA-N 0 0 396.399 4.003 20 5 GIBDRN Cc1noc([C@H](OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000176691477 823268912 /nfs/dbraw/zinc/26/89/12/823268912.db2.gz CIQWWWBSIPGJEP-SJKOYZFVSA-N 0 0 399.428 4.100 20 5 GIBDRN CSc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000003474232 817463950 /nfs/dbraw/zinc/46/39/50/817463950.db2.gz QMRVCEMTUXMEBD-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000003485125 817466619 /nfs/dbraw/zinc/46/66/19/817466619.db2.gz UEKBQNJJYOCGMA-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN C[C@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003488614 817467794 /nfs/dbraw/zinc/46/77/94/817467794.db2.gz GDAOHCAYFFBWRB-JTQLQIEISA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000003511621 817474905 /nfs/dbraw/zinc/47/49/05/817474905.db2.gz YWKDPICTDMUEML-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003511058 817474991 /nfs/dbraw/zinc/47/49/91/817474991.db2.gz DRHQMALXTHVERB-UHFFFAOYSA-N 0 0 377.780 4.207 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)n1Cc1ccco1 ZINC000003542609 817482077 /nfs/dbraw/zinc/48/20/77/817482077.db2.gz HNCFXDFSQPBOOY-UHFFFAOYSA-N 0 0 396.399 4.003 20 5 GIBDRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1 ZINC000003619017 817492928 /nfs/dbraw/zinc/49/29/28/817492928.db2.gz DVFICLCGMGIAKA-UHFFFAOYSA-N 0 0 392.367 4.183 20 5 GIBDRN CCOc1cc(OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000188591178 823268086 /nfs/dbraw/zinc/26/80/86/823268086.db2.gz IUEUUZJXSMFQRB-UHFFFAOYSA-N 0 0 385.203 4.318 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(Cc1ccco1)CC(F)(F)F ZINC000459876990 823269753 /nfs/dbraw/zinc/26/97/53/823269753.db2.gz SIJOJGGEVDGABB-UHFFFAOYSA-N 0 0 396.243 4.411 20 5 GIBDRN O=[N+]([O-])c1c(N[C@@H]2CCOc3c(Br)cccc32)nc2sccn21 ZINC000409638316 823269755 /nfs/dbraw/zinc/26/97/55/823269755.db2.gz LYKFPYDWVKDCRT-SNVBAGLBSA-N 0 0 395.238 4.002 20 5 GIBDRN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000004500780 817529040 /nfs/dbraw/zinc/52/90/40/817529040.db2.gz MPLWKIWUQRHJHD-ZIAGYGMSSA-N 0 0 399.447 4.334 20 5 GIBDRN CSc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000004797623 817534905 /nfs/dbraw/zinc/53/49/05/817534905.db2.gz VSTHDASATHLGHD-UHFFFAOYSA-N 0 0 388.445 4.236 20 5 GIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000004797468 817535036 /nfs/dbraw/zinc/53/50/36/817535036.db2.gz LASLDDMJANHIMT-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN CSc1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000004797846 817535476 /nfs/dbraw/zinc/53/54/76/817535476.db2.gz TUPALVYNACREKO-UHFFFAOYSA-N 0 0 388.445 4.037 20 5 GIBDRN CCCOc1cc(NC(=O)c2oc(CC)nc2C)c([N+](=O)[O-])cc1OCCC ZINC000459892926 823270413 /nfs/dbraw/zinc/27/04/13/823270413.db2.gz IHCDKBYBNFQCER-UHFFFAOYSA-N 0 0 391.424 4.284 20 5 GIBDRN CCOc1cc(NC(=O)c2ccc(C(C)C)nc2C)c([N+](=O)[O-])cc1OCC ZINC000459896091 823270670 /nfs/dbraw/zinc/27/06/70/823270670.db2.gz HRVZSKYUKFHDJF-UHFFFAOYSA-N 0 0 387.436 4.471 20 5 GIBDRN Cc1ccc(C2(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)CCOCC2)cc1 ZINC000176698733 823270715 /nfs/dbraw/zinc/27/07/15/823270715.db2.gz GJVSNSQRIJFOTG-UHFFFAOYSA-N 0 0 391.427 4.138 20 5 GIBDRN CC(F)(F)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC000459905399 823270912 /nfs/dbraw/zinc/27/09/12/823270912.db2.gz SIAFDVYIGMHKRU-UHFFFAOYSA-N 0 0 378.331 4.120 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCOc2c(Br)cccc21 ZINC000409642201 823271004 /nfs/dbraw/zinc/27/10/04/823271004.db2.gz RMAVWBWJFZGVBT-NSHDSACASA-N 0 0 384.617 4.341 20 5 GIBDRN CCOc1cc(NC(=O)[C@@H](CC)CC(F)(F)F)c([N+](=O)[O-])cc1OCC ZINC000459906302 823271305 /nfs/dbraw/zinc/27/13/05/823271305.db2.gz UHIMBJZZNGHKSO-JTQLQIEISA-N 0 0 378.347 4.309 20 5 GIBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000572037490 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4.270 20 5 GIBDRN CCOc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1[N+](=O)[O-] ZINC000026681499 820131488 /nfs/dbraw/zinc/13/14/88/820131488.db2.gz MKSPEKCHMKZCMD-ZDUSSCGKSA-N 0 0 397.387 4.270 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000026765275 820141639 /nfs/dbraw/zinc/14/16/39/820141639.db2.gz MEHGFZGKJAVDEO-UHFFFAOYSA-N 0 0 395.209 4.017 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2ccccc2)n1 ZINC000026791292 820145133 /nfs/dbraw/zinc/14/51/33/820145133.db2.gz CKHSPGKVMXWLFP-UHFFFAOYSA-N 0 0 396.472 4.227 20 5 GIBDRN Nc1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000026920186 820164430 /nfs/dbraw/zinc/16/44/30/820164430.db2.gz KVXFDBLQRQMZCP-UHFFFAOYSA-N 0 0 398.806 4.057 20 5 GIBDRN C[C@@H](Sc1ncnc2ccsc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026953853 820168986 /nfs/dbraw/zinc/16/89/86/820168986.db2.gz WDQMLMLBTGCKJS-MRVPVSSYSA-N 0 0 394.865 4.372 20 5 GIBDRN C[C@H](Sc1ncnc2ccsc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026953861 820169034 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Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000027258344 820216407 /nfs/dbraw/zinc/21/64/07/820216407.db2.gz QQQKJGHDPRRFFL-IFXJQAMLSA-N 0 0 384.480 4.107 20 5 GIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(F)cn3)no2)ccc1NCc1ccccc1 ZINC000460634278 823462248 /nfs/dbraw/zinc/46/22/48/823462248.db2.gz FQDVQCIFZOBGJL-UHFFFAOYSA-N 0 0 391.362 4.458 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2ccccc2n1-c1ccccc1F ZINC000460635214 823462535 /nfs/dbraw/zinc/46/25/35/823462535.db2.gz AAHPAJHVHBWEMI-UHFFFAOYSA-N 0 0 390.374 4.254 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000177439644 823462585 /nfs/dbraw/zinc/46/25/85/823462585.db2.gz SPRJVBXXNJSKGC-UHFFFAOYSA-N 0 0 396.321 4.129 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000027342394 820227811 /nfs/dbraw/zinc/22/78/11/820227811.db2.gz IAEKQRQTUJDDFH-UHFFFAOYSA-N 0 0 382.397 4.347 20 5 GIBDRN CCc1c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C(CC)CC ZINC000573191599 823463066 /nfs/dbraw/zinc/46/30/66/823463066.db2.gz PUSDSBVGFOEZCM-UHFFFAOYSA-N 0 0 384.440 4.377 20 5 GIBDRN COc1cccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000027661092 820272368 /nfs/dbraw/zinc/27/23/68/820272368.db2.gz KBPZDJLBCXGEGX-UHFFFAOYSA-N 0 0 386.351 4.353 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/Sc2ccccc2)cccc1[N+](=O)[O-] ZINC000027692224 820275705 /nfs/dbraw/zinc/27/57/05/820275705.db2.gz WPXNFMVJUNLIDJ-GCZGRYASSA-N 0 0 386.429 4.079 20 5 GIBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000058926831 823471301 /nfs/dbraw/zinc/47/13/01/823471301.db2.gz PBRFCPLLUXHTSS-MOPGFXCFSA-N 0 0 398.459 4.167 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000189650675 823467478 /nfs/dbraw/zinc/46/74/78/823467478.db2.gz CMRIJCFEECEVRE-UHFFFAOYSA-N 0 0 398.337 4.167 20 5 GIBDRN Cc1c(Cc2noc([C@@H](c3ccc(Cl)cc3)N(C)C)n2)cccc1[N+](=O)[O-] ZINC000573219759 823467495 /nfs/dbraw/zinc/46/74/95/823467495.db2.gz MKYPJHIZQIENIG-GOSISDBHSA-N 0 0 386.839 4.181 20 5 GIBDRN COc1c(Br)cc(Cl)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000027827276 820289902 /nfs/dbraw/zinc/28/99/02/820289902.db2.gz UMPSTQSNKBTNRA-UHFFFAOYSA-N 0 0 399.628 4.201 20 5 GIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028042975 820307142 /nfs/dbraw/zinc/30/71/42/820307142.db2.gz VNPOALHCVLSENJ-SNVBAGLBSA-N 0 0 389.260 4.283 20 5 GIBDRN COc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000410345209 823468655 /nfs/dbraw/zinc/46/86/55/823468655.db2.gz OIZVUYQJPAYWLG-UHFFFAOYSA-N 0 0 396.852 4.305 20 5 GIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000028043355 820307523 /nfs/dbraw/zinc/30/75/23/820307523.db2.gz PNLLVYXDVIOEER-INIZCTEOSA-N 0 0 380.853 4.082 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC ZINC000028242022 820319710 /nfs/dbraw/zinc/31/97/10/820319710.db2.gz GHOLEFDXGHFGDX-KRWDZBQOSA-N 0 0 384.432 4.152 20 5 GIBDRN Cc1cc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc2[nH]cnc21 ZINC000573246556 823470146 /nfs/dbraw/zinc/47/01/46/823470146.db2.gz QUOYYEFSEAZBCT-UHFFFAOYSA-N 0 0 381.367 4.295 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC000123147449 823470102 /nfs/dbraw/zinc/47/01/02/823470102.db2.gz QTERSGLISKYSNA-UHFFFAOYSA-N 0 0 384.436 4.020 20 5 GIBDRN C[C@H]1C[C@@]1(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000410357823 823473175 /nfs/dbraw/zinc/47/31/75/823473175.db2.gz CFGUPTMIUXTXFP-YUNKPMOVSA-N 0 0 383.835 4.324 20 5 GIBDRN Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)nc2c(C)c1 ZINC000028839584 820362190 /nfs/dbraw/zinc/36/21/90/820362190.db2.gz CLRYCSZSLNQCAN-UHFFFAOYSA-N 0 0 386.389 4.290 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)NCCCOC(C)C)cc2[N+](=O)[O-])n1 ZINC000028877306 820365887 /nfs/dbraw/zinc/36/58/87/820365887.db2.gz VKSRMSAQMBPSCD-UHFFFAOYSA-N 0 0 395.506 4.056 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189679491 823473734 /nfs/dbraw/zinc/47/37/34/823473734.db2.gz XNYQJTZMHIHKJQ-FQEVSTJZSA-N 0 0 390.443 4.281 20 5 GIBDRN Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-] ZINC000028923857 820374153 /nfs/dbraw/zinc/37/41/53/820374153.db2.gz AISCOVHLAMNYRU-HXUWFJFHSA-N 0 0 377.400 4.287 20 5 GIBDRN Cc1ccsc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000029235564 820416151 /nfs/dbraw/zinc/41/61/51/820416151.db2.gz CFKJGIGDYIVEFD-UHFFFAOYSA-N 0 0 390.408 4.392 20 5 GIBDRN CCc1ccc(C(=O)Nc2ccccc2-c2nncn2C(C)C)cc1[N+](=O)[O-] ZINC000177502038 823477908 /nfs/dbraw/zinc/47/79/08/823477908.db2.gz QGFVDIBMQGJCTH-UHFFFAOYSA-N 0 0 379.420 4.249 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1F)Nc1ccc(N2CCCCCC2)cc1 ZINC000059011942 823483286 /nfs/dbraw/zinc/48/32/86/823483286.db2.gz GTSIYPYBSDRHCY-UHFFFAOYSA-N 0 0 387.411 4.132 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000029525914 820468650 /nfs/dbraw/zinc/46/86/50/820468650.db2.gz QOXBDKLIXODXMH-SFHVURJKSA-N 0 0 395.381 4.099 20 5 GIBDRN CCCc1noc(CSc2nc3cc4ccccc4cc3c(=O)n2CC)n1 ZINC000029602749 820482624 /nfs/dbraw/zinc/48/26/24/820482624.db2.gz ZFLBWQFCXSDMRH-UHFFFAOYSA-N 0 0 380.473 4.197 20 5 GIBDRN Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc(C(C)C)n1 ZINC000123231222 823482345 /nfs/dbraw/zinc/48/23/45/823482345.db2.gz VYKSQECKBMOKDC-UHFFFAOYSA-N 0 0 383.433 4.192 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)c1ccccc1 ZINC000460696186 823483920 /nfs/dbraw/zinc/48/39/20/823483920.db2.gz AFIHKRRWSQZVDV-UHFFFAOYSA-N 0 0 381.436 4.048 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc2ccccc21 ZINC000059282466 823489619 /nfs/dbraw/zinc/48/96/19/823489619.db2.gz OMTODYORTWQSGZ-UHFFFAOYSA-N 0 0 386.411 4.174 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)c(Br)c1 ZINC000177545098 823487288 /nfs/dbraw/zinc/48/72/88/823487288.db2.gz HLHAUPHVZKFXRY-GJZGRUSLSA-N 0 0 378.226 4.085 20 5 GIBDRN Cc1ccc(Sc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)c(C)c1 ZINC000059265831 823488062 /nfs/dbraw/zinc/48/80/62/823488062.db2.gz YUWPAYQHYHUXNE-UHFFFAOYSA-N 0 0 382.445 4.198 20 5 GIBDRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1csc([N+](=O)[O-])c1 ZINC000189757500 823489071 /nfs/dbraw/zinc/48/90/71/823489071.db2.gz DNWDPZKKABUYGL-UHFFFAOYSA-N 0 0 380.838 4.004 20 5 GIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000410424621 823493661 /nfs/dbraw/zinc/49/36/61/823493661.db2.gz XAHVROJDMJUMLP-ULFGMLNVSA-N 0 0 382.416 4.059 20 5 GIBDRN Cc1sc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000030250847 820591025 /nfs/dbraw/zinc/59/10/25/820591025.db2.gz QXZIBTUBVJXZKQ-LBPRGKRZSA-N 0 0 393.896 4.137 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000030364087 820605812 /nfs/dbraw/zinc/60/58/12/820605812.db2.gz VDEYJPPFUDDYSI-MRXNPFEDSA-N 0 0 375.768 4.134 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000460711170 823491032 /nfs/dbraw/zinc/49/10/32/823491032.db2.gz DDHPXCFFKRQZKD-MRXNPFEDSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000030495630 820624112 /nfs/dbraw/zinc/62/41/12/820624112.db2.gz UEGAJEJMNHVDOM-LBPRGKRZSA-N 0 0 397.353 4.283 20 5 GIBDRN CCCCOc1ccc(OC)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000030522585 820629948 /nfs/dbraw/zinc/62/99/48/820629948.db2.gz PQKJBXCLUYPPKB-AWEZNQCLSA-N 0 0 387.436 4.221 20 5 GIBDRN COc1cc(C(=O)Nc2nc3ccccc3n2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000410509831 823500550 /nfs/dbraw/zinc/50/05/50/823500550.db2.gz NZABETWVVUPHDL-UHFFFAOYSA-N 0 0 398.394 4.460 20 5 GIBDRN Cc1cc(C)c(Br)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000460753436 823504216 /nfs/dbraw/zinc/50/42/16/823504216.db2.gz CPANHMYTLPQEIX-UHFFFAOYSA-N 0 0 375.222 4.177 20 5 GIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CC1CCCCC1)c1ccccn1 ZINC000410603960 823506218 /nfs/dbraw/zinc/50/62/18/823506218.db2.gz DCOISAVSBHNYDH-UHFFFAOYSA-N 0 0 379.420 4.093 20 5 GIBDRN O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccccc1[N+](=O)[O-] ZINC000059891550 823502089 /nfs/dbraw/zinc/50/20/89/823502089.db2.gz ZJXGFDMRPVBYCU-UHFFFAOYSA-N 0 0 389.249 4.209 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189822428 823502251 /nfs/dbraw/zinc/50/22/51/823502251.db2.gz FCPDLKBGKSXCOK-SFHVURJKSA-N 0 0 394.471 4.259 20 5 GIBDRN COc1cc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc2c1OCCO2 ZINC000177618519 823502485 /nfs/dbraw/zinc/50/24/85/823502485.db2.gz OHRUPMBZELOSIE-SDQBBNPISA-N 0 0 388.763 4.253 20 5 GIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000031384775 820801686 /nfs/dbraw/zinc/80/16/86/820801686.db2.gz ROXNLEVHDGXSCG-QGZVFWFLSA-N 0 0 390.439 4.310 20 5 GIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410551909 823503632 /nfs/dbraw/zinc/50/36/32/823503632.db2.gz WJMZTPVFLBUIAH-UONOGXRCSA-N 0 0 376.400 4.408 20 5 GIBDRN COc1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c([N+](=O)[O-])cc1F ZINC000410628198 823507206 /nfs/dbraw/zinc/50/72/06/823507206.db2.gz WPSTWTOXSLRGCU-LLVKDONJSA-N 0 0 395.456 4.464 20 5 GIBDRN O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000031528605 820821293 /nfs/dbraw/zinc/82/12/93/820821293.db2.gz ZETMWZUZEPCBAY-INIZCTEOSA-N 0 0 395.337 4.475 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000031532259 820821617 /nfs/dbraw/zinc/82/16/17/820821617.db2.gz DDIVLMGGNFKFBT-OAHLLOKOSA-N 0 0 390.436 4.165 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000031555894 820825534 /nfs/dbraw/zinc/82/55/34/820825534.db2.gz CYZCIEMPPAIAFY-UHFFFAOYSA-N 0 0 382.441 4.295 20 5 GIBDRN Cc1c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000031556687 820825690 /nfs/dbraw/zinc/82/56/90/820825690.db2.gz YHTPRXUBJXVMOC-LLVKDONJSA-N 0 0 385.355 4.309 20 5 GIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410743047 823511892 /nfs/dbraw/zinc/51/18/92/823511892.db2.gz JDVRJOXRHDJVQN-LLVKDONJSA-N 0 0 384.276 4.417 20 5 GIBDRN CCNc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000031587896 820829519 /nfs/dbraw/zinc/82/95/19/820829519.db2.gz OQUZDINKYCLABF-UHFFFAOYSA-N 0 0 391.855 4.269 20 5 GIBDRN Cc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC000031662550 820840889 /nfs/dbraw/zinc/84/08/89/820840889.db2.gz KVHCIFQRHNPUAX-UHFFFAOYSA-N 0 0 396.184 4.069 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000031702030 820848190 /nfs/dbraw/zinc/84/81/90/820848190.db2.gz RZQZQZPJSCSHCX-SNVBAGLBSA-N 0 0 397.200 4.211 20 5 GIBDRN C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21 ZINC000031782931 820859100 /nfs/dbraw/zinc/85/91/00/820859100.db2.gz MKCBXYWLDDYZHH-INIZCTEOSA-N 0 0 379.460 4.352 20 5 GIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000410705863 823510099 /nfs/dbraw/zinc/51/00/99/823510099.db2.gz WQGNEKBUPOGFMH-ZBEGNZNMSA-N 0 0 379.338 4.232 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2c(F)cccc2F)cs1 ZINC000031812089 820863888 /nfs/dbraw/zinc/86/38/88/820863888.db2.gz QBCWDHYEPIIDOJ-UHFFFAOYSA-N 0 0 391.355 4.014 20 5 GIBDRN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000031826403 820866343 /nfs/dbraw/zinc/86/63/43/820866343.db2.gz WEXLGQUGPZLVGX-UHFFFAOYSA-N 0 0 397.334 4.398 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1OC ZINC000031957396 820879136 /nfs/dbraw/zinc/87/91/36/820879136.db2.gz UWMAGHROBLKGFG-FQEVSTJZSA-N 0 0 384.432 4.192 20 5 GIBDRN O=C(Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccncc1 ZINC000031966396 820881487 /nfs/dbraw/zinc/88/14/87/820881487.db2.gz IWGYJWYFIXWOLO-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN Cc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000032097499 820897595 /nfs/dbraw/zinc/89/75/95/820897595.db2.gz FQAOBQQEGHPWCD-UHFFFAOYSA-N 0 0 389.433 4.143 20 5 GIBDRN O=C(NCc1nccn1CCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177697803 823514501 /nfs/dbraw/zinc/51/45/01/823514501.db2.gz CXJIXPXYDHRGNQ-UHFFFAOYSA-N 0 0 399.838 4.009 20 5 GIBDRN Cc1c(NC(=O)NCc2nccn2CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000177700263 823514598 /nfs/dbraw/zinc/51/45/98/823514598.db2.gz YGVOCGGEZBPISQ-UHFFFAOYSA-N 0 0 393.447 4.054 20 5 GIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000189931421 823515055 /nfs/dbraw/zinc/51/50/55/823515055.db2.gz MTBGUOUHGMYKTQ-UHFFFAOYSA-N 0 0 391.811 4.166 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC(F)F)c1 ZINC000123519233 823516867 /nfs/dbraw/zinc/51/68/67/823516867.db2.gz CHTCYZSCBDYFAF-LLVKDONJSA-N 0 0 387.342 4.235 20 5 GIBDRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032480056 820955673 /nfs/dbraw/zinc/95/56/73/820955673.db2.gz IHUDFQNVSPCRMG-UHFFFAOYSA-N 0 0 396.424 4.275 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000123522075 823517043 /nfs/dbraw/zinc/51/70/43/823517043.db2.gz NWPQFNCUICASBY-UHFFFAOYSA-N 0 0 386.415 4.158 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)OCO2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032496495 820961369 /nfs/dbraw/zinc/96/13/69/820961369.db2.gz LTIWGLOVQHMIHW-UHFFFAOYSA-N 0 0 376.777 4.444 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)sc2Cl)c(Cl)c1 ZINC000032551895 820967742 /nfs/dbraw/zinc/96/77/42/820967742.db2.gz MQMVSEZVJXBFOZ-UHFFFAOYSA-N 0 0 388.637 4.384 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000032591092 820973739 /nfs/dbraw/zinc/97/37/39/820973739.db2.gz YYEZHPVLCCFTTM-UHFFFAOYSA-N 0 0 376.434 4.025 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC000033055012 821028867 /nfs/dbraw/zinc/02/88/67/821028867.db2.gz FAQVXCXNAABEHC-UHFFFAOYSA-N 0 0 398.484 4.468 20 5 GIBDRN Cc1ccc(C)c2sc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)nc21 ZINC000033159063 821040605 /nfs/dbraw/zinc/04/06/05/821040605.db2.gz QIWXSAUKHMAKJD-UHFFFAOYSA-N 0 0 393.428 4.259 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000033214437 821048210 /nfs/dbraw/zinc/04/82/10/821048210.db2.gz MAVMOECGIIXGQL-UHFFFAOYSA-N 0 0 380.404 4.444 20 5 GIBDRN CC[C@@H](NC(=O)c1ccc(OC(F)F)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177806279 823528228 /nfs/dbraw/zinc/52/82/28/823528228.db2.gz DAIRDDWTNWCDDL-CQSZACIVSA-N 0 0 380.347 4.086 20 5 GIBDRN Cc1cccc2sc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc21 ZINC000036627008 821072648 /nfs/dbraw/zinc/07/26/48/821072648.db2.gz CTIXRFHDLDRWQN-UHFFFAOYSA-N 0 0 396.472 4.368 20 5 GIBDRN Cc1c(C(=O)N(CCc2ccccc2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000060416342 823525075 /nfs/dbraw/zinc/52/50/75/823525075.db2.gz QAUBHPJTOHYZEJ-UHFFFAOYSA-N 0 0 375.428 4.183 20 5 GIBDRN CCn1c(SCc2ccc(OC(C)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123669959 823530477 /nfs/dbraw/zinc/53/04/77/823530477.db2.gz CPZZCSKVNTWLAG-UHFFFAOYSA-N 0 0 398.444 4.091 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000460864000 823531622 /nfs/dbraw/zinc/53/16/22/823531622.db2.gz SNUGXGKSWMNJQE-KRWDZBQOSA-N 0 0 395.242 4.424 20 5 GIBDRN Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c12 ZINC000177834023 823533304 /nfs/dbraw/zinc/53/33/04/823533304.db2.gz QFPDAAYJXFENGH-LLVKDONJSA-N 0 0 380.404 4.116 20 5 GIBDRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000177834840 823533564 /nfs/dbraw/zinc/53/35/64/823533564.db2.gz ARVSTFAAXXRSGM-ZDUSSCGKSA-N 0 0 396.900 4.448 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000041239351 821179613 /nfs/dbraw/zinc/17/96/13/821179613.db2.gz KLLYXYBXNBDRAE-QGZVFWFLSA-N 0 0 389.839 4.009 20 5 GIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000041239149 821179641 /nfs/dbraw/zinc/17/96/41/821179641.db2.gz ICFWXNLFYOXIAR-QGZVFWFLSA-N 0 0 389.839 4.009 20 5 GIBDRN CC[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000041556785 821209319 /nfs/dbraw/zinc/20/93/19/821209319.db2.gz SDQUYJWKPHNJJT-CQSZACIVSA-N 0 0 396.230 4.108 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccccc1 ZINC000041778617 821228702 /nfs/dbraw/zinc/22/87/02/821228702.db2.gz WGRGHILISBMDTA-UHFFFAOYSA-N 0 0 384.379 4.065 20 5 GIBDRN COc1cccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC(F)F ZINC000177864703 823538302 /nfs/dbraw/zinc/53/83/02/823538302.db2.gz MOTNJBLUWMQDOZ-NSHDSACASA-N 0 0 380.347 4.004 20 5 GIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000041850669 821237498 /nfs/dbraw/zinc/23/74/98/821237498.db2.gz CMSUHNQBERKKIZ-KRWDZBQOSA-N 0 0 383.448 4.135 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1OC ZINC000041881529 821242208 /nfs/dbraw/zinc/24/22/08/821242208.db2.gz OLXXHGFJXNJNEJ-GFCCVEGCSA-N 0 0 390.461 4.215 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1[N+](=O)[O-] ZINC000041894979 821242573 /nfs/dbraw/zinc/24/25/73/821242573.db2.gz FBYZLBZFBUCKPF-BDJLRTHQSA-N 0 0 399.403 4.333 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000177869755 823538967 /nfs/dbraw/zinc/53/89/67/823538967.db2.gz RKJMQVOWLRDDCB-CYBMUJFWSA-N 0 0 383.379 4.117 20 5 GIBDRN O=[N+]([O-])c1ccc(/C=C/Sc2nnc(-c3ccccn3)n2Cc2ccco2)o1 ZINC000123767670 823539066 /nfs/dbraw/zinc/53/90/66/823539066.db2.gz KVGGEZBQGLBSIJ-DHZHZOJOSA-N 0 0 395.400 4.246 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000042090756 821263393 /nfs/dbraw/zinc/26/33/93/821263393.db2.gz LQOFQCHLGHGSOS-LLVKDONJSA-N 0 0 386.458 4.233 20 5 GIBDRN CCn1c(Cc2ccccc2)nnc1SCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000042113545 821267940 /nfs/dbraw/zinc/26/79/40/821267940.db2.gz ZTGGTTRKNDCXTC-UHFFFAOYSA-N 0 0 384.461 4.098 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cs1 ZINC000123783064 823540518 /nfs/dbraw/zinc/54/05/18/823540518.db2.gz QYGOPTQYFWACLE-UHFFFAOYSA-N 0 0 399.457 4.243 20 5 GIBDRN CCOCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000042219670 821287393 /nfs/dbraw/zinc/28/73/93/821287393.db2.gz NLXJCBMTRUOUEC-UHFFFAOYSA-N 0 0 397.383 4.090 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)N[C@@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042510565 821309595 /nfs/dbraw/zinc/30/95/95/821309595.db2.gz MMDZNRKPRAAWRN-MGPUTAFESA-N 0 0 379.416 4.202 20 5 GIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000042626277 821315815 /nfs/dbraw/zinc/31/58/15/821315815.db2.gz KTMVCIZDNVLSRS-UHFFFAOYSA-N 0 0 395.375 4.154 20 5 GIBDRN Cc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cs2)o1 ZINC000042918018 821344346 /nfs/dbraw/zinc/34/43/46/821344346.db2.gz PHERJIVIJBXIJB-UHFFFAOYSA-N 0 0 395.343 4.473 20 5 GIBDRN Cc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000042759973 821331703 /nfs/dbraw/zinc/33/17/03/821331703.db2.gz AVKSCFMIEFWRSD-UHFFFAOYSA-N 0 0 396.422 4.137 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000043149654 821368687 /nfs/dbraw/zinc/36/86/87/821368687.db2.gz RGNLJIPNLLSQCZ-UHFFFAOYSA-N 0 0 391.811 4.040 20 5 GIBDRN COc1cc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000043149211 821368758 /nfs/dbraw/zinc/36/87/58/821368758.db2.gz QIUHHENXKIJVHM-UHFFFAOYSA-N 0 0 395.362 4.177 20 5 GIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000043176760 821374507 /nfs/dbraw/zinc/37/45/07/821374507.db2.gz NOUIYBXEOYXRAJ-UHFFFAOYSA-N 0 0 395.246 4.256 20 5 GIBDRN NC(=O)c1ccc(CNc2ccccc2Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000180670455 821389687 /nfs/dbraw/zinc/38/96/87/821389687.db2.gz YUXQHFHHSKPONK-UHFFFAOYSA-N 0 0 398.369 4.328 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000043341731 821395000 /nfs/dbraw/zinc/39/50/00/821395000.db2.gz ZKFYUAFAZMNXBL-UHFFFAOYSA-N 0 0 388.786 4.459 20 5 GIBDRN Cc1nc(Br)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000180688963 821395860 /nfs/dbraw/zinc/39/58/60/821395860.db2.gz JMVIKVFPERFKHL-SNVBAGLBSA-N 0 0 396.266 4.180 20 5 GIBDRN Cc1nc2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180719831 821416432 /nfs/dbraw/zinc/41/64/32/821416432.db2.gz QSODDLBFPPZJON-UHFFFAOYSA-N 0 0 398.488 4.183 20 5 GIBDRN Cc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043500315 821419316 /nfs/dbraw/zinc/41/93/16/821419316.db2.gz OJQPRCGFMZDLLO-UHFFFAOYSA-N 0 0 397.309 4.102 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000043773619 821456428 /nfs/dbraw/zinc/45/64/28/821456428.db2.gz VIOUKCOFICIWOO-UHFFFAOYSA-N 0 0 380.444 4.255 20 5 GIBDRN CCN(C(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000043784071 821457772 /nfs/dbraw/zinc/45/77/72/821457772.db2.gz XNFWNCKNLYSPHP-UHFFFAOYSA-N 0 0 377.444 4.233 20 5 GIBDRN COCCOc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000044013870 821501513 /nfs/dbraw/zinc/50/15/13/821501513.db2.gz PVDRAQQXVLQHNZ-XBXARRHUSA-N 0 0 386.429 4.409 20 5 GIBDRN Cn1cc(CNc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180871740 821505593 /nfs/dbraw/zinc/50/55/93/821505593.db2.gz VSHFESURJVSFTR-UHFFFAOYSA-N 0 0 387.237 4.370 20 5 GIBDRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000180906524 821529172 /nfs/dbraw/zinc/52/91/72/821529172.db2.gz PCNLLAPXAGPWKA-UHFFFAOYSA-N 0 0 380.738 4.148 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCCc2cc(Br)ccc21 ZINC000180928589 821543104 /nfs/dbraw/zinc/54/31/04/821543104.db2.gz RQBKBZJMWQCQEM-UHFFFAOYSA-N 0 0 390.237 4.044 20 5 GIBDRN CSc1ccc(-c2csc(NC(=O)c3c(N)cccc3[N+](=O)[O-])n2)cc1 ZINC000181057568 821613597 /nfs/dbraw/zinc/61/35/97/821613597.db2.gz SUHNBWFGDDQCPT-UHFFFAOYSA-N 0 0 386.458 4.275 20 5 GIBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000044625585 821626729 /nfs/dbraw/zinc/62/67/29/821626729.db2.gz QWHBQBWQCPYUEF-LBPRGKRZSA-N 0 0 390.465 4.021 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000181090770 821627835 /nfs/dbraw/zinc/62/78/35/821627835.db2.gz KYHNINOBYRUDFR-SECBINFHSA-N 0 0 375.335 4.291 20 5 GIBDRN Cc1c(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000181124345 821648326 /nfs/dbraw/zinc/64/83/26/821648326.db2.gz ZOMUFUZCCSWJFT-DOTOQJQBSA-N 0 0 393.802 4.347 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2n1C ZINC000181331810 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389.477 4.276 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000181583337 821889290 /nfs/dbraw/zinc/88/92/90/821889290.db2.gz VIIGVBIXJMXPRH-PBHICJAKSA-N 0 0 388.493 4.015 20 5 GIBDRN Cc1cnc(C(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000181789605 821993277 /nfs/dbraw/zinc/99/32/77/821993277.db2.gz NVZLFADQMXUKNI-UHFFFAOYSA-N 0 0 388.371 4.435 20 5 GIBDRN CSCCCCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000181800715 821998133 /nfs/dbraw/zinc/99/81/33/821998133.db2.gz VDXTUZBYDQAZME-UHFFFAOYSA-N 0 0 382.529 4.194 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2nnco2)c1 ZINC000181819363 822005392 /nfs/dbraw/zinc/00/53/92/822005392.db2.gz HNRUGVWCTQKIPA-UHFFFAOYSA-N 0 0 390.808 4.029 20 5 GIBDRN COc1cc(CN[C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OC(F)F ZINC000181997847 822058043 /nfs/dbraw/zinc/05/80/43/822058043.db2.gz LLVTZSVXJZAGOD-VIFPVBQESA-N 0 0 388.317 4.334 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000182008670 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378.400 4.330 20 5 GIBDRN Cc1cc(CSc2ncccc2C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000182403367 822231489 /nfs/dbraw/zinc/23/14/89/822231489.db2.gz XTVSQLIZZIAPCK-UHFFFAOYSA-N 0 0 384.417 4.139 20 5 GIBDRN Cc1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] ZINC000182445802 822245249 /nfs/dbraw/zinc/24/52/49/822245249.db2.gz PDNPCZGJCKWTEA-UHFFFAOYSA-N 0 0 386.795 4.178 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000182459190 822250466 /nfs/dbraw/zinc/25/04/66/822250466.db2.gz SWEMVCIBZBOFET-WBVHZDCISA-N 0 0 392.864 4.230 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182472345 822256038 /nfs/dbraw/zinc/25/60/38/822256038.db2.gz HGHANVIDVMOMHG-SNVBAGLBSA-N 0 0 386.301 4.417 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc2cccnc21 ZINC000182480592 822259068 /nfs/dbraw/zinc/25/90/68/822259068.db2.gz BXWXACVMWKFNTG-UHFFFAOYSA-N 0 0 387.848 4.205 20 5 GIBDRN COCc1ccccc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000182500587 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CCC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000178166967 822338745 /nfs/dbraw/zinc/33/87/45/822338745.db2.gz VJGZFTSWRYOPDX-UHFFFAOYSA-N 0 0 399.413 4.136 20 5 GIBDRN O=C(Nc1cccc(-c2ncco2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182673983 822347207 /nfs/dbraw/zinc/34/72/07/822347207.db2.gz ZFPAWIPIRIZZSX-UHFFFAOYSA-N 0 0 375.287 4.104 20 5 GIBDRN COc1cc(COc2ccc(C(C)=O)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000182729955 822358743 /nfs/dbraw/zinc/35/87/43/822358743.db2.gz GECCCUAWWQQINM-UHFFFAOYSA-N 0 0 399.321 4.168 20 5 GIBDRN Cc1cc(F)ccc1[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000453430487 822362003 /nfs/dbraw/zinc/36/20/03/822362003.db2.gz TUMRIYCGKDOHJC-GOSISDBHSA-N 0 0 381.411 4.179 20 5 GIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(F)cc1F ZINC000453430423 822362006 /nfs/dbraw/zinc/36/20/06/822362006.db2.gz SQWIJRKIMGAADC-QGZVFWFLSA-N 0 0 385.374 4.010 20 5 GIBDRN Cc1c([C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000045097374 822362306 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4.251 20 5 GIBDRN O=C(NCc1nccc2ccccc21)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178547427 822390562 /nfs/dbraw/zinc/39/05/62/822390562.db2.gz IPNUKQSVHBJWJC-UHFFFAOYSA-N 0 0 375.306 4.092 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC000182932210 822395273 /nfs/dbraw/zinc/39/52/73/822395273.db2.gz JXDVHTRGCJXCMZ-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000182932389 822395423 /nfs/dbraw/zinc/39/54/23/822395423.db2.gz ZHLZAVOJAITGHU-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178634207 822398094 /nfs/dbraw/zinc/39/80/94/822398094.db2.gz HXYHWJZRWYUHPS-UHFFFAOYSA-N 0 0 384.701 4.396 20 5 GIBDRN CCO[C@H](C)c1noc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000178712177 822404893 /nfs/dbraw/zinc/40/48/93/822404893.db2.gz BUGXHTDWUQGDEX-CQSZACIVSA-N 0 0 383.404 4.245 20 5 GIBDRN C[C@@H](C(=O)NCc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000182985490 822405264 /nfs/dbraw/zinc/40/52/64/822405264.db2.gz CLJWYUCBMFASNO-SECBINFHSA-N 0 0 399.191 4.055 20 5 GIBDRN CCOc1ccc([C@@H](C)Nc2cc(F)cc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000183035653 822415239 /nfs/dbraw/zinc/41/52/39/822415239.db2.gz VRYGYVZVDKJOSA-CQSZACIVSA-N 0 0 389.427 4.142 20 5 GIBDRN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc2ccccc2c2cccnc12 ZINC000178842465 822415760 /nfs/dbraw/zinc/41/57/60/822415760.db2.gz OYNHQLAYCQANTO-OPAMFIHVSA-N 0 0 378.497 4.173 20 5 GIBDRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178845104 822416055 /nfs/dbraw/zinc/41/60/55/822416055.db2.gz PDCLLLBIADYNJF-ZWNOBZJWSA-N 0 0 376.459 4.113 20 5 GIBDRN C[C@H](C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000183064202 822419337 /nfs/dbraw/zinc/41/93/37/822419337.db2.gz HKIYDAVOOYVTPX-DCGLDWPTSA-N 0 0 392.452 4.014 20 5 GIBDRN Cc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000045881417 822421303 /nfs/dbraw/zinc/42/13/03/822421303.db2.gz HPSJVYDQABFLDK-UHFFFAOYSA-N 0 0 383.451 4.407 20 5 GIBDRN C[C@H](C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183084548 822422639 /nfs/dbraw/zinc/42/26/39/822422639.db2.gz SYWXHRSBZAMQTA-GOEBONIOSA-N 0 0 384.407 4.101 20 5 GIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000183138840 822429513 /nfs/dbraw/zinc/42/95/13/822429513.db2.gz DXGXIYIGIMKXSV-STQMWFEESA-N 0 0 387.411 4.004 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cncc(Br)c1 ZINC000179054105 822433850 /nfs/dbraw/zinc/43/38/50/822433850.db2.gz HBPYCLDLUAIVOL-UHFFFAOYSA-N 0 0 393.241 4.195 20 5 GIBDRN COc1ccc(CSCC(=O)N(C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000046142822 822443690 /nfs/dbraw/zinc/44/36/90/822443690.db2.gz MLVBXTLKFOIYOC-UHFFFAOYSA-N 0 0 394.880 4.149 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000046147814 822444235 /nfs/dbraw/zinc/44/42/35/822444235.db2.gz QAROWCGNZSPLDZ-UHFFFAOYSA-N 0 0 381.432 4.044 20 5 GIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000179199943 822449712 /nfs/dbraw/zinc/44/97/12/822449712.db2.gz URVMZCIGPMCZRS-KRWDZBQOSA-N 0 0 398.488 4.174 20 5 GIBDRN NC(=O)c1ccc(-c2nc(CSCCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000183268629 822450958 /nfs/dbraw/zinc/45/09/58/822450958.db2.gz YLONTKPDPIZCOF-UHFFFAOYSA-N 0 0 399.497 4.293 20 5 GIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000046239480 822453407 /nfs/dbraw/zinc/45/34/07/822453407.db2.gz HRNRSOWKZGTVNN-GFCCVEGCSA-N 0 0 394.518 4.392 20 5 GIBDRN O=C(c1ccccc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC1 ZINC000179275641 822460100 /nfs/dbraw/zinc/46/01/00/822460100.db2.gz OATZNKHNIFNRSJ-UHFFFAOYSA-N 0 0 392.415 4.098 20 5 GIBDRN COc1ccc(CSCC(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000046321898 822461450 /nfs/dbraw/zinc/46/14/50/822461450.db2.gz LWWAAEHLNDDLFK-GFCCVEGCSA-N 0 0 380.491 4.118 20 5 GIBDRN CCCOc1cc(NC(=O)N2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCCC ZINC000454357559 822461507 /nfs/dbraw/zinc/46/15/07/822461507.db2.gz IZCMNOYHSAETOY-CYBMUJFWSA-N 0 0 397.497 4.142 20 5 GIBDRN COC[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000454361486 822461968 /nfs/dbraw/zinc/46/19/68/822461968.db2.gz MSZPIXKEVQVFSX-BBRMVZONSA-N 0 0 391.855 4.039 20 5 GIBDRN COc1ccccc1[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000179309541 822464169 /nfs/dbraw/zinc/46/41/69/822464169.db2.gz DAGMPWDTEMWUFK-HXUWFJFHSA-N 0 0 378.384 4.253 20 5 GIBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179331901 822467216 /nfs/dbraw/zinc/46/72/16/822467216.db2.gz PJZYAPLHNNMNEO-SOLBZPMBSA-N 0 0 390.443 4.187 20 5 GIBDRN CCc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179375061 822473308 /nfs/dbraw/zinc/47/33/08/822473308.db2.gz GFXJMDXBGQCUEC-CYBMUJFWSA-N 0 0 375.856 4.270 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCSc2ccc(F)cc21 ZINC000179378877 822473757 /nfs/dbraw/zinc/47/37/57/822473757.db2.gz MAFUXXYYJSFSCV-KRWDZBQOSA-N 0 0 385.420 4.111 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000183469054 822479785 /nfs/dbraw/zinc/47/97/85/822479785.db2.gz OYGNRKKBFQQJCO-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN CN(C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000183477552 822481910 /nfs/dbraw/zinc/48/19/10/822481910.db2.gz IODBTFDGUGJADN-UHFFFAOYSA-N 0 0 396.349 4.381 20 5 GIBDRN CCOc1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1OC ZINC000454511335 822487781 /nfs/dbraw/zinc/48/77/81/822487781.db2.gz YSFPGVYJCUGSPG-MRXNPFEDSA-N 0 0 399.447 4.414 20 5 GIBDRN CCOc1ccc(-c2noc(COc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000046583870 822488511 /nfs/dbraw/zinc/48/85/11/822488511.db2.gz JGHRNZJRPQXUDW-UHFFFAOYSA-N 0 0 375.768 4.276 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000454515714 822488966 /nfs/dbraw/zinc/48/89/66/822488966.db2.gz CYXCFNNBCAPLTQ-HNNXBMFYSA-N 0 0 396.447 4.104 20 5 GIBDRN Cc1ccc(Sc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)c(C)c1 ZINC000179495383 822490983 /nfs/dbraw/zinc/49/09/83/822490983.db2.gz HIAZKJZDVKILNJ-UHFFFAOYSA-N 0 0 382.445 4.349 20 5 GIBDRN COc1ccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc1 ZINC000183553349 822493948 /nfs/dbraw/zinc/49/39/48/822493948.db2.gz CFFBOTADTCYBER-HNNXBMFYSA-N 0 0 383.326 4.337 20 5 GIBDRN COc1ccc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000046635260 822496282 /nfs/dbraw/zinc/49/62/82/822496282.db2.gz BJWGEAVIZSOHRZ-CYBMUJFWSA-N 0 0 392.814 4.243 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])cc1OC ZINC000046649774 822498463 /nfs/dbraw/zinc/49/84/63/822498463.db2.gz VPDPUQSZIXGXPV-GFCCVEGCSA-N 0 0 384.388 4.158 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000046654317 822499678 /nfs/dbraw/zinc/49/96/78/822499678.db2.gz OLTOZDDZTGOZLR-UHFFFAOYSA-N 0 0 375.450 4.171 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000454584392 822501207 /nfs/dbraw/zinc/50/12/07/822501207.db2.gz RVYZQLPSCAESMD-YJBOKZPZSA-N 0 0 399.447 4.425 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000183618246 822502208 /nfs/dbraw/zinc/50/22/08/822502208.db2.gz IHJZTKKYHJCIBB-INIZCTEOSA-N 0 0 395.459 4.101 20 5 GIBDRN CC(C)[C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000454605786 822504907 /nfs/dbraw/zinc/50/49/07/822504907.db2.gz IGIJBTSUGWFCOP-FPOVZHCZSA-N 0 0 396.491 4.319 20 5 GIBDRN CC(C)[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000454605790 822504958 /nfs/dbraw/zinc/50/49/58/822504958.db2.gz IGIJBTSUGWFCOP-PZJWPPBQSA-N 0 0 396.491 4.319 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)nc1-c1ccccc1 ZINC000179597154 822509854 /nfs/dbraw/zinc/50/98/54/822509854.db2.gz QMQSTVQDRGXJQB-MRXNPFEDSA-N 0 0 390.447 4.036 20 5 GIBDRN Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000179624841 822514803 /nfs/dbraw/zinc/51/48/03/822514803.db2.gz JGVGBNISCOSZRW-HRAATJIYSA-N 0 0 390.443 4.448 20 5 GIBDRN Cc1nc(C(F)(F)F)c(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000183707821 822514931 /nfs/dbraw/zinc/51/49/31/822514931.db2.gz IMNJONDVSJFMRT-MRVPVSSYSA-N 0 0 394.396 4.055 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000179624900 822515046 /nfs/dbraw/zinc/51/50/46/822515046.db2.gz SFINDFJRZHZXOX-VLIAUNLRSA-N 0 0 394.406 4.279 20 5 GIBDRN COC(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000046800576 822518784 /nfs/dbraw/zinc/51/87/84/822518784.db2.gz NVHRBLJGMBPWGE-KRWDZBQOSA-N 0 0 388.807 4.012 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000046850526 822524488 /nfs/dbraw/zinc/52/44/88/822524488.db2.gz LVHPVKKKONOCRT-UHFFFAOYSA-N 0 0 390.827 4.309 20 5 GIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl ZINC000046877317 822526037 /nfs/dbraw/zinc/52/60/37/822526037.db2.gz JYWLNNVUALGABC-SECBINFHSA-N 0 0 387.194 4.297 20 5 GIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000046879115 822526281 /nfs/dbraw/zinc/52/62/81/822526281.db2.gz FBOZYCLQJPRICE-UHFFFAOYSA-N 0 0 382.395 4.026 20 5 GIBDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000183773566 822526336 /nfs/dbraw/zinc/52/63/36/822526336.db2.gz AROYQZVCMBBSHN-QGZVFWFLSA-N 0 0 390.443 4.027 20 5 GIBDRN COc1ccc([C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000179682354 822526461 /nfs/dbraw/zinc/52/64/61/822526461.db2.gz FTGBBUAQXRNAMH-FQEVSTJZSA-N 0 0 379.416 4.499 20 5 GIBDRN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179687002 822527389 /nfs/dbraw/zinc/52/73/89/822527389.db2.gz HJZKPHMRJLGIAI-AWEZNQCLSA-N 0 0 394.811 4.065 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000454755792 822528799 /nfs/dbraw/zinc/52/87/99/822528799.db2.gz HVXGALSSVCXYLE-LBPRGKRZSA-N 0 0 389.839 4.086 20 5 GIBDRN COc1cc(CNC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000179703290 822530982 /nfs/dbraw/zinc/53/09/82/822530982.db2.gz ABVGMSDIMMPRQT-UHFFFAOYSA-N 0 0 382.338 4.123 20 5 GIBDRN COc1ccc(OC(C)C)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000183815637 822531084 /nfs/dbraw/zinc/53/10/84/822531084.db2.gz ATGRARBCUNVPSH-GFCCVEGCSA-N 0 0 376.384 4.272 20 5 GIBDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000454783193 822533150 /nfs/dbraw/zinc/53/31/50/822533150.db2.gz UNCNFJZFRXPJND-JQWIXIFHSA-N 0 0 393.793 4.163 20 5 GIBDRN O=C(Nc1c[nH]nc1-c1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000179737040 822538980 /nfs/dbraw/zinc/53/89/80/822538980.db2.gz SGPBMPLSAPJYEC-UHFFFAOYSA-N 0 0 376.294 4.256 20 5 GIBDRN CCOc1ccccc1[C@H](CC)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000179748442 822542034 /nfs/dbraw/zinc/54/20/34/822542034.db2.gz XMULDEAXAIXBLA-KRWDZBQOSA-N 0 0 382.420 4.284 20 5 GIBDRN COc1cc(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000183902424 822543436 /nfs/dbraw/zinc/54/34/36/822543436.db2.gz VRHARGBGXAGNSY-XCLFUZPHSA-N 0 0 384.432 4.056 20 5 GIBDRN COC1CCC(C)(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454870672 822549143 /nfs/dbraw/zinc/54/91/43/822549143.db2.gz JOIAHAIBRSDJAX-FQVISZRSSA-N 0 0 389.496 4.079 20 5 GIBDRN Cc1c(NC(=O)NCC2(CCOCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000183940295 822550971 /nfs/dbraw/zinc/55/09/71/822550971.db2.gz GULIMLQAGXDQLJ-UHFFFAOYSA-N 0 0 383.448 4.412 20 5 GIBDRN COc1cc(COc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])cc1F ZINC000183941720 822551190 /nfs/dbraw/zinc/55/11/90/822551190.db2.gz ACMJQUCYRAPROT-UHFFFAOYSA-N 0 0 386.335 4.167 20 5 GIBDRN COc1ccc(CNC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000454904546 822554161 /nfs/dbraw/zinc/55/41/61/822554161.db2.gz MPAJCJRGMFWSTO-LLVKDONJSA-N 0 0 382.338 4.199 20 5 GIBDRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000183998530 822560752 /nfs/dbraw/zinc/56/07/52/822560752.db2.gz QTZPUCRYSZMNKI-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000454947815 822561777 /nfs/dbraw/zinc/56/17/77/822561777.db2.gz UWTBFRXZVCSSNA-HIFRSBDPSA-N 0 0 375.450 4.315 20 5 GIBDRN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)on1 ZINC000047287624 822562191 /nfs/dbraw/zinc/56/21/91/822562191.db2.gz NOKNBRCIJMUESD-KSSFIOAISA-N 0 0 398.463 4.105 20 5 GIBDRN COc1cc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000184011802 822563560 /nfs/dbraw/zinc/56/35/60/822563560.db2.gz KBSIRPIMMVLCET-AWEZNQCLSA-N 0 0 394.374 4.052 20 5 GIBDRN Cc1nc2cc(NC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)ccc2o1 ZINC000454977361 822565532 /nfs/dbraw/zinc/56/55/32/822565532.db2.gz SNOQBFITFJTJIB-HNNXBMFYSA-N 0 0 380.404 4.456 20 5 GIBDRN C[C@@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000179855799 822567019 /nfs/dbraw/zinc/56/70/19/822567019.db2.gz WHYZZMVSGHSKMF-CQSZACIVSA-N 0 0 399.447 4.362 20 5 GIBDRN 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C[C@@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735782 823029268 /nfs/dbraw/zinc/02/92/68/823029268.db2.gz DGGGZJCNWWEZJK-CVEARBPZSA-N 0 0 385.489 4.480 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000175737453 823029545 /nfs/dbraw/zinc/02/95/45/823029545.db2.gz LQXUHXYFKIZCMY-AAEUAGOBSA-N 0 0 376.482 4.386 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3sccc3c2)cc1SC ZINC000570372958 823030982 /nfs/dbraw/zinc/03/09/82/823030982.db2.gz OINZTGOBHLQTCI-UHFFFAOYSA-N 0 0 388.470 4.470 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000187267964 823033209 /nfs/dbraw/zinc/03/32/09/823033209.db2.gz NGMPNWHJFCMTMT-CYBMUJFWSA-N 0 0 381.432 4.094 20 5 GIBDRN Cc1sc(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000175760480 823033508 /nfs/dbraw/zinc/03/35/08/823033508.db2.gz YMWKXJJTIPZANA-UHFFFAOYSA-N 0 0 381.457 4.308 20 5 GIBDRN CC(C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000175766228 823034774 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4.161 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000123840680 823544769 /nfs/dbraw/zinc/54/47/69/823544769.db2.gz KUYAGHVUHHDKQT-ZDUSSCGKSA-N 0 0 376.482 4.386 20 5 GIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000123866273 823547557 /nfs/dbraw/zinc/54/75/57/823547557.db2.gz XAJRQXQYKKWRAG-UHFFFAOYSA-N 0 0 385.395 4.049 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ncc(-c3ccccc3)cn2)nc1-c1ccccc1 ZINC000460948279 823548721 /nfs/dbraw/zinc/54/87/21/823548721.db2.gz IMTAXWBVXPVRBW-UHFFFAOYSA-N 0 0 383.411 4.148 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2[N+](=O)[O-])C1 ZINC000060658038 823550761 /nfs/dbraw/zinc/55/07/61/823550761.db2.gz SLBHIPFTRDAKHR-BETUJISGSA-N 0 0 388.855 4.378 20 5 GIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000190209858 823551056 /nfs/dbraw/zinc/55/10/56/823551056.db2.gz FOOZFXYBGOJUOR-GUYCJALGSA-N 0 0 394.349 4.121 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000411164367 823553406 /nfs/dbraw/zinc/55/34/06/823553406.db2.gz MCIRASYWSHNDNI-ZDUSSCGKSA-N 0 0 389.839 4.023 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000411165463 823553677 /nfs/dbraw/zinc/55/36/77/823553677.db2.gz OYCDZNHLODCYIZ-CYBMUJFWSA-N 0 0 389.839 4.023 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000123942999 823553847 /nfs/dbraw/zinc/55/38/47/823553847.db2.gz ARVITMXXYCCALN-NHCUHLMSSA-N 0 0 382.460 4.032 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000411177694 823554757 /nfs/dbraw/zinc/55/47/57/823554757.db2.gz KAKAOGJAHZUQNO-HNNXBMFYSA-N 0 0 389.477 4.115 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000411179402 823554898 /nfs/dbraw/zinc/55/48/98/823554898.db2.gz BYMXIYDBZUDFMM-UHFFFAOYSA-N 0 0 385.445 4.264 20 5 GIBDRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000123957153 823555235 /nfs/dbraw/zinc/55/52/35/823555235.db2.gz NCXRKVOHAYFIGV-QGZVFWFLSA-N 0 0 387.480 4.151 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC000123998297 823558797 /nfs/dbraw/zinc/55/87/97/823558797.db2.gz CQDGUVAFSVRUIE-VIFPVBQESA-N 0 0 399.191 4.435 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2Cl)C(C)C)ccc1[N+](=O)[O-] ZINC000411244314 823559940 /nfs/dbraw/zinc/55/99/40/823559940.db2.gz YYWWRLCPEYKILT-KRWDZBQOSA-N 0 0 389.839 4.009 20 5 GIBDRN O=[N+]([O-])c1nn(Cc2ccc(Br)cc2Cl)cc1Br ZINC000060823213 823560100 /nfs/dbraw/zinc/56/01/00/823560100.db2.gz DCRIOHRGEBXXJC-UHFFFAOYSA-N 0 0 395.438 4.018 20 5 GIBDRN C[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461020471 823560229 /nfs/dbraw/zinc/56/02/29/823560229.db2.gz DSIARQSWCDJXLS-UONOGXRCSA-N 0 0 383.477 4.198 20 5 GIBDRN CC[C@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000190304621 823561067 /nfs/dbraw/zinc/56/10/67/823561067.db2.gz XTPNLMRTRCVUGT-IHPCNDPISA-N 0 0 383.448 4.123 20 5 GIBDRN CCCOc1c(Cl)cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000060849694 823562101 /nfs/dbraw/zinc/56/21/01/823562101.db2.gz MAJAOVSNQAPXJL-UHFFFAOYSA-N 0 0 378.812 4.322 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000124109464 823568284 /nfs/dbraw/zinc/56/82/84/823568284.db2.gz MLRDPCSBBBCCLV-RMKNXTFCSA-N 0 0 377.356 4.092 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncon1 ZINC000124129758 823570166 /nfs/dbraw/zinc/57/01/66/823570166.db2.gz PPVCTDKEOSCMAG-QGZVFWFLSA-N 0 0 393.403 4.089 20 5 GIBDRN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000124144886 823571574 /nfs/dbraw/zinc/57/15/74/823571574.db2.gz JONXRWXENJNUMD-STQMWFEESA-N 0 0 396.321 4.244 20 5 GIBDRN Cc1ccc([C@@H](C)NCc2nc3sc4c(c3c(N)n2)CCCC4)cc1[N+](=O)[O-] ZINC000411472730 823578841 /nfs/dbraw/zinc/57/88/41/823578841.db2.gz IAVAYCZRWJQMEK-GFCCVEGCSA-N 0 0 397.504 4.220 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3cc(F)ccc3OCC3CC3)n2)c1 ZINC000190472638 823579109 /nfs/dbraw/zinc/57/91/09/823579109.db2.gz HORJVUSLJRSKQG-UHFFFAOYSA-N 0 0 384.367 4.185 20 5 GIBDRN CCOc1cc(NC(=O)CSc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000061132458 823579729 /nfs/dbraw/zinc/57/97/29/823579729.db2.gz IWDAKOYYZGAXSD-UHFFFAOYSA-N 0 0 394.424 4.262 20 5 GIBDRN CCc1c(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1CC(C)C ZINC000124261547 823581826 /nfs/dbraw/zinc/58/18/26/823581826.db2.gz CPHJKFPTZGHODU-UHFFFAOYSA-N 0 0 397.382 4.255 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccccc2Sc2nncn2C)cc1[N+](=O)[O-] ZINC000190508888 823582260 /nfs/dbraw/zinc/58/22/60/823582260.db2.gz FJBNRSHRUHOEEP-UHFFFAOYSA-N 0 0 397.460 4.250 20 5 GIBDRN CC(C)C(=O)Nc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061204343 823584367 /nfs/dbraw/zinc/58/43/67/823584367.db2.gz JFERPMRPTFQAKT-UHFFFAOYSA-N 0 0 384.436 4.020 20 5 GIBDRN Cc1nc(-c2ccc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cc2Cl)n[nH]1 ZINC000124291803 823584654 /nfs/dbraw/zinc/58/46/54/823584654.db2.gz IAMIHQFGEHCXAH-UHFFFAOYSA-N 0 0 389.774 4.042 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000061210812 823584817 /nfs/dbraw/zinc/58/48/17/823584817.db2.gz QWPJKZJWPQCSRG-QFIPXVFZSA-N 0 0 390.443 4.088 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000061232409 823585913 /nfs/dbraw/zinc/58/59/13/823585913.db2.gz DPXPRHZLIRYUFT-KRWDZBQOSA-N 0 0 394.431 4.156 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)CSc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000061233823 823586132 /nfs/dbraw/zinc/58/61/32/823586132.db2.gz QSUZBLPJCIYEEB-SFHVURJKSA-N 0 0 396.472 4.235 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCC2)n1C[C@@H]1CCCO1 ZINC000461142815 823586750 /nfs/dbraw/zinc/58/67/50/823586750.db2.gz CWDYAQRPKXONEY-IBGZPJMESA-N 0 0 399.495 4.048 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000124347874 823589062 /nfs/dbraw/zinc/58/90/62/823589062.db2.gz HKVFIDXEDKFCLK-SNVBAGLBSA-N 0 0 386.301 4.166 20 5 GIBDRN CN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000124366605 823590630 /nfs/dbraw/zinc/59/06/30/823590630.db2.gz OSEGXJYPIQYTHG-GJZGRUSLSA-N 0 0 380.322 4.260 20 5 GIBDRN COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000061316968 823591447 /nfs/dbraw/zinc/59/14/47/823591447.db2.gz GLXLEQQLZDGEFP-UHFFFAOYSA-N 0 0 376.796 4.411 20 5 GIBDRN CC(C)OCCOCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411704026 823598168 /nfs/dbraw/zinc/59/81/68/823598168.db2.gz YZWCEFZTUIJCNW-LEWJYISDSA-N 0 0 398.459 4.279 20 5 GIBDRN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411716386 823599227 /nfs/dbraw/zinc/59/92/27/823599227.db2.gz LUEADSHFRHVFTQ-PWRODBHTSA-N 0 0 380.444 4.243 20 5 GIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1CC1CCCCC1 ZINC000061569922 823604478 /nfs/dbraw/zinc/60/44/78/823604478.db2.gz DUHQATNJDKLGFC-SFHVURJKSA-N 0 0 382.464 4.356 20 5 GIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000411827030 823609124 /nfs/dbraw/zinc/60/91/24/823609124.db2.gz LCPQHDGASMORFK-OALUTQOASA-N 0 0 395.459 4.027 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC2(CCC2(F)F)C1 ZINC000461277141 823610922 /nfs/dbraw/zinc/61/09/22/823610922.db2.gz OGTRYNRGKRTRKN-UHFFFAOYSA-N 0 0 387.386 4.078 20 5 GIBDRN CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1)C1CCC1 ZINC000461299777 823613676 /nfs/dbraw/zinc/61/36/76/823613676.db2.gz HPIBUUZHJISTAN-UHFFFAOYSA-N 0 0 383.477 4.342 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000124651437 823614308 /nfs/dbraw/zinc/61/43/08/823614308.db2.gz NCIVGIDMGDUJHF-ZDUSSCGKSA-N 0 0 387.392 4.043 20 5 GIBDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000461315377 823616369 /nfs/dbraw/zinc/61/63/69/823616369.db2.gz JBQZIIHXCLSMJF-VBKZILBWSA-N 0 0 394.406 4.143 20 5 GIBDRN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000124699761 823618765 /nfs/dbraw/zinc/61/87/65/823618765.db2.gz GUYULXWMOJRMDP-CHWSQXEVSA-N 0 0 380.322 4.364 20 5 GIBDRN CC(C)Oc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000412044166 823624010 /nfs/dbraw/zinc/62/40/10/823624010.db2.gz WBTNTUGIPKEYJQ-UHFFFAOYSA-N 0 0 377.466 4.066 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2cccc(NC3CCCC3)c2)c1F ZINC000412067793 823625506 /nfs/dbraw/zinc/62/55/06/823625506.db2.gz DNAIAVVTEBXOMV-UHFFFAOYSA-N 0 0 387.411 4.278 20 5 GIBDRN CSc1ccc(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000124793042 823626680 /nfs/dbraw/zinc/62/66/80/823626680.db2.gz TXJMKWKBASFBRU-UHFFFAOYSA-N 0 0 399.472 4.080 20 5 GIBDRN O=C([C@@H](OC1CCCC1)c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461385702 823627521 /nfs/dbraw/zinc/62/75/21/823627521.db2.gz IELHYSQMVURALM-NRFANRHFSA-N 0 0 396.443 4.016 20 5 GIBDRN O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000412126929 823628294 /nfs/dbraw/zinc/62/82/94/823628294.db2.gz PVSKMRQUZQXXJC-OAQYLSRUSA-N 0 0 382.460 4.323 20 5 GIBDRN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461393996 823628806 /nfs/dbraw/zinc/62/88/06/823628806.db2.gz DGTDUECOSGJHGQ-WOJBJXKFSA-N 0 0 380.444 4.243 20 5 GIBDRN O=C(CCc1ccc2ccccc2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461397462 823629316 /nfs/dbraw/zinc/62/93/16/823629316.db2.gz GHWFGPWZJMNDRP-UHFFFAOYSA-N 0 0 376.412 4.102 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c1F ZINC000412149424 823630482 /nfs/dbraw/zinc/63/04/82/823630482.db2.gz BUOYJBJCTNEVDR-BLLLJJGKSA-N 0 0 390.411 4.186 20 5 GIBDRN Cc1nc(-c2ccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2)cs1 ZINC000461406770 823630516 /nfs/dbraw/zinc/63/05/16/823630516.db2.gz MQICKOGJUJOHIQ-UHFFFAOYSA-N 0 0 395.440 4.062 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000124848195 823630801 /nfs/dbraw/zinc/63/08/01/823630801.db2.gz SXJUFVIFWTZCEO-UHFFFAOYSA-N 0 0 396.403 4.291 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412153165 823630856 /nfs/dbraw/zinc/63/08/56/823630856.db2.gz WFEUNBPTBQHIFE-FUHWJXTLSA-N 0 0 383.835 4.192 20 5 GIBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000412166793 823632063 /nfs/dbraw/zinc/63/20/63/823632063.db2.gz XORZJRMJCZGJIH-AFAVFJNCSA-N 0 0 384.436 4.006 20 5 GIBDRN CC(C)Oc1cc(C(=O)NCC2(c3ccncc3)CCCC2)ccc1[N+](=O)[O-] ZINC000412226209 823637259 /nfs/dbraw/zinc/63/72/59/823637259.db2.gz GJRLRFYYFIEWTQ-UHFFFAOYSA-N 0 0 383.448 4.019 20 5 GIBDRN Cc1nccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1Cl ZINC000124923565 823637457 /nfs/dbraw/zinc/63/74/57/823637457.db2.gz JJYUNOAZXRNSDH-UHFFFAOYSA-N 0 0 389.717 4.145 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ccc(Cn3cccn3)cc2)c(Br)c1 ZINC000461445016 823639041 /nfs/dbraw/zinc/63/90/41/823639041.db2.gz GJYNSDOOWRFXNC-UHFFFAOYSA-N 0 0 387.237 4.214 20 5 GIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412269536 823642017 /nfs/dbraw/zinc/64/20/17/823642017.db2.gz LLZZXWOCBCPBFG-CYBMUJFWSA-N 0 0 388.468 4.133 20 5 GIBDRN Cc1cccnc1C(C)(C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000461464340 823642740 /nfs/dbraw/zinc/64/27/40/823642740.db2.gz PVAORMZMZPZRQQ-UHFFFAOYSA-N 0 0 385.467 4.092 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000412289028 823643099 /nfs/dbraw/zinc/64/30/99/823643099.db2.gz GRHOHEAFWOWWAR-DLBZAZTESA-N 0 0 395.846 4.349 20 5 GIBDRN CCc1c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000412288359 823643220 /nfs/dbraw/zinc/64/32/20/823643220.db2.gz JPTWVDRYEVRJGJ-RBUKOAKNSA-N 0 0 390.443 4.394 20 5 GIBDRN O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412301979 823644562 /nfs/dbraw/zinc/64/45/62/823644562.db2.gz KTKDEBLEEWCIFM-JKSUJKDBSA-N 0 0 397.328 4.450 20 5 GIBDRN CCCc1c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000191089019 823647388 /nfs/dbraw/zinc/64/73/88/823647388.db2.gz AEEDAITYMSRBEK-UHFFFAOYSA-N 0 0 398.394 4.133 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000412339772 823648260 /nfs/dbraw/zinc/64/82/60/823648260.db2.gz VJVMSFQJKNRBBD-ITBHCLRTSA-N 0 0 376.456 4.493 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H]4CCC[C@@H]43)n2Cc2cccs2)c1 ZINC000461494264 823648257 /nfs/dbraw/zinc/64/82/57/823648257.db2.gz DJQXFGZXYXPLGO-KDOFPFPSSA-N 0 0 395.488 4.342 20 5 GIBDRN CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000062917714 823648543 /nfs/dbraw/zinc/64/85/43/823648543.db2.gz DZMYNHRQAVGBQT-UHFFFAOYSA-N 0 0 378.812 4.224 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CC[C@@H]4CCC[C@@H]43)n2Cc2cccs2)cc1 ZINC000461496356 823648646 /nfs/dbraw/zinc/64/86/46/823648646.db2.gz HYXSAAWEVPQPDR-KSSFIOAISA-N 0 0 395.488 4.342 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1F ZINC000412357261 823649364 /nfs/dbraw/zinc/64/93/64/823649364.db2.gz DMJFUCHHXUQVNO-FQEVSTJZSA-N 0 0 384.407 4.039 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@@H]1C ZINC000412357744 823649521 /nfs/dbraw/zinc/64/95/21/823649521.db2.gz AKUXRZYMBGGVIM-MXTMVPOJSA-N 0 0 393.443 4.098 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000412363052 823649858 /nfs/dbraw/zinc/64/98/58/823649858.db2.gz RCCHHBGZXMBHTQ-KSZLIROESA-N 0 0 396.447 4.103 20 5 GIBDRN CCOc1cc(Cl)ccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125074100 823650116 /nfs/dbraw/zinc/65/01/16/823650116.db2.gz CJAQURIHDGZYJG-UHFFFAOYSA-N 0 0 375.812 4.237 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000125076945 823650314 /nfs/dbraw/zinc/65/03/14/823650314.db2.gz SVJHLOUPGUESBP-UHFFFAOYSA-N 0 0 395.268 4.275 20 5 GIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc([N+](=O)[O-])c1C ZINC000191138554 823652973 /nfs/dbraw/zinc/65/29/73/823652973.db2.gz CXFCSJCSXSVNRQ-LBPRGKRZSA-N 0 0 385.445 4.355 20 5 GIBDRN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000412459745 823656518 /nfs/dbraw/zinc/65/65/18/823656518.db2.gz DVWWZURQDPKVRN-LSDHHAIUSA-N 0 0 378.447 4.377 20 5 GIBDRN COc1cccc(OC)c1Oc1ccc(CNc2ccsc2[N+](=O)[O-])cn1 ZINC000063263196 823658045 /nfs/dbraw/zinc/65/80/45/823658045.db2.gz XEAPPSWUQBSEHX-UHFFFAOYSA-N 0 0 387.417 4.473 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CN(C)C2=O ZINC000412543018 823660670 /nfs/dbraw/zinc/66/06/70/823660670.db2.gz RXQXAABRIAJOEW-UHFFFAOYSA-N 0 0 399.472 4.181 20 5 GIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(OCC2CC2)cc1 ZINC000191234498 823661834 /nfs/dbraw/zinc/66/18/34/823661834.db2.gz OQFSHQVTEOIPKQ-LFIBNONCSA-N 0 0 389.411 4.038 20 5 GIBDRN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CC(F)(F)F ZINC000412631358 823668656 /nfs/dbraw/zinc/66/86/56/823668656.db2.gz ICCYTPGKEUMNKI-QMMMGPOBSA-N 0 0 383.164 4.066 20 5 GIBDRN COc1cc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F ZINC000125343581 823669481 /nfs/dbraw/zinc/66/94/81/823669481.db2.gz KMLMBRWGPLFFHB-UHFFFAOYSA-N 0 0 391.374 4.124 20 5 GIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc(C(C)C)n1 ZINC000063440139 823671576 /nfs/dbraw/zinc/67/15/76/823671576.db2.gz AWJNCOVSSOTYCM-UHFFFAOYSA-N 0 0 386.455 4.015 20 5 GIBDRN C[C@@H]1C[C@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000412664393 823672694 /nfs/dbraw/zinc/67/26/94/823672694.db2.gz WRAHPCRSWCALRM-QLFBSQMISA-N 0 0 386.473 4.289 20 5 GIBDRN CCCCNC(=O)c1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000191330539 823672773 /nfs/dbraw/zinc/67/27/73/823672773.db2.gz PHXHIIGBMBTEAC-UHFFFAOYSA-N 0 0 398.463 4.063 20 5 GIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412674781 823673817 /nfs/dbraw/zinc/67/38/17/823673817.db2.gz NQQBLDSTDSMYRR-KRWDZBQOSA-N 0 0 375.428 4.486 20 5 GIBDRN CCCC(=O)Nc1cccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C ZINC000063480089 823675125 /nfs/dbraw/zinc/67/51/25/823675125.db2.gz YASGLPJDOYNSMX-UHFFFAOYSA-N 0 0 395.419 4.304 20 5 GIBDRN CCCCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461680916 823680328 /nfs/dbraw/zinc/68/03/28/823680328.db2.gz LFXCYTFVUXNPMW-SFHVURJKSA-N 0 0 387.484 4.049 20 5 GIBDRN CCOc1cc(NC(=O)c2csc(CC(C)C)n2)c([N+](=O)[O-])cc1OCC ZINC000063574486 823680356 /nfs/dbraw/zinc/68/03/56/823680356.db2.gz LSSSATNMPNHJLR-UHFFFAOYSA-N 0 0 393.465 4.300 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000191398543 823680802 /nfs/dbraw/zinc/68/08/02/823680802.db2.gz OVNXUFTZLZTCAA-CQSZACIVSA-N 0 0 395.419 4.068 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000191401886 823681308 /nfs/dbraw/zinc/68/13/08/823681308.db2.gz RZAOZBKIGRQABQ-SFHVURJKSA-N 0 0 391.374 4.095 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC000412801697 823683933 /nfs/dbraw/zinc/68/39/33/823683933.db2.gz ARBOVCMTFVFDAC-HOTGVXAUSA-N 0 0 380.510 4.278 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 ZINC000412814230 823684861 /nfs/dbraw/zinc/68/48/61/823684861.db2.gz NTTYMHDAJCQZKY-GOEBONIOSA-N 0 0 384.432 4.079 20 5 GIBDRN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(N2CCCC2)c1 ZINC000125568112 823686078 /nfs/dbraw/zinc/68/60/78/823686078.db2.gz PMNKROYMRWNPQG-OAHLLOKOSA-N 0 0 392.459 4.096 20 5 GIBDRN CCOC(=O)c1csc([C@H]2CCCN2[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000191448660 823686339 /nfs/dbraw/zinc/68/63/39/823686339.db2.gz MBTKCGQQGZWTCL-SUMWQHHRSA-N 0 0 389.477 4.435 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000412877849 823687831 /nfs/dbraw/zinc/68/78/31/823687831.db2.gz STCOTCBVQAFNMO-MMOPVJDHSA-N 0 0 382.460 4.092 20 5 GIBDRN Cc1cc(Sc2nnc(-c3ccncc3)n2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461726170 823688049 /nfs/dbraw/zinc/68/80/49/823688049.db2.gz DHMMFBUVJQFUTR-UHFFFAOYSA-N 0 0 395.366 4.264 20 5 GIBDRN CCn1c(Sc2cc(C)c([N+](=O)[O-])cc2F)nnc1-c1ccccc1OC ZINC000461736956 823689362 /nfs/dbraw/zinc/68/93/62/823689362.db2.gz VLIGGOCXTRLEPY-UHFFFAOYSA-N 0 0 388.424 4.481 20 5 GIBDRN CCc1nnc(C2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)[nH]1 ZINC000191485431 823690140 /nfs/dbraw/zinc/69/01/40/823690140.db2.gz PVCQDKMHSSVMDB-UHFFFAOYSA-N 0 0 385.471 4.088 20 5 GIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000461756970 823692382 /nfs/dbraw/zinc/69/23/82/823692382.db2.gz SESZYRPYJGJDOF-UHFFFAOYSA-N 0 0 393.443 4.180 20 5 GIBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(-c2ccccc2)o1 ZINC000125650608 823693448 /nfs/dbraw/zinc/69/34/48/823693448.db2.gz ZOAYXEWXAWGOJQ-GFCCVEGCSA-N 0 0 376.372 4.222 20 5 GIBDRN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000461768019 823693466 /nfs/dbraw/zinc/69/34/66/823693466.db2.gz SAFQSUHXKHNNHD-TZIWHRDSSA-N 0 0 395.459 4.189 20 5 GIBDRN Cc1cc(Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c(F)cc1[N+](=O)[O-] ZINC000461773618 823694131 /nfs/dbraw/zinc/69/41/31/823694131.db2.gz FYQTWDOYJCGNIV-ZDUSSCGKSA-N 0 0 383.383 4.182 20 5 GIBDRN CCNC(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000461776314 823694288 /nfs/dbraw/zinc/69/42/88/823694288.db2.gz BMCSNWLGSMQGJB-UHFFFAOYSA-N 0 0 381.354 4.284 20 5 GIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)C1CCCCC1 ZINC000461806900 823698367 /nfs/dbraw/zinc/69/83/67/823698367.db2.gz FAKOHGQSGRBLTC-IBGZPJMESA-N 0 0 399.495 4.191 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3c(C)n[nH]c3C)cc2[N+](=O)[O-])n1 ZINC000063838816 823700833 /nfs/dbraw/zinc/70/08/33/823700833.db2.gz YGKXMFXQHWGGTQ-UHFFFAOYSA-N 0 0 389.462 4.103 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C(F)(F)F)c1 ZINC000413069299 823703277 /nfs/dbraw/zinc/70/32/77/823703277.db2.gz KSOFPQNTMVHTOM-CQSZACIVSA-N 0 0 387.745 4.240 20 5 GIBDRN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461825981 823704184 /nfs/dbraw/zinc/70/41/84/823704184.db2.gz FAPWHRXBGSLDMB-SUMDDJOVSA-N 0 0 399.495 4.047 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC(OCCc4ccccc4)CC3)c2c1 ZINC000413081550 823704403 /nfs/dbraw/zinc/70/44/03/823704403.db2.gz FVENWKUEPHAMGU-UHFFFAOYSA-N 0 0 377.444 4.371 20 5 GIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000125753012 823704382 /nfs/dbraw/zinc/70/43/82/823704382.db2.gz WPABZLXQBQIETO-QGZVFWFLSA-N 0 0 392.459 4.126 20 5 GIBDRN Cn1ccnc1[C@@H](NCCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000574345493 823705656 /nfs/dbraw/zinc/70/56/56/823705656.db2.gz FJRYSVIAEMXWPN-NRFANRHFSA-N 0 0 389.459 4.121 20 5 GIBDRN CCOCc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000163391250 823705823 /nfs/dbraw/zinc/70/58/23/823705823.db2.gz RFEKFYVBJHFYDT-UHFFFAOYSA-N 0 0 383.448 4.006 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc2nc(C3CC3)sc2c1 ZINC000063890397 823706349 /nfs/dbraw/zinc/70/63/49/823706349.db2.gz SFHKUAWPFGDAPV-UHFFFAOYSA-N 0 0 382.445 4.441 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000574350028 823706483 /nfs/dbraw/zinc/70/64/83/823706483.db2.gz LEGGHZORIRMCPZ-AWEZNQCLSA-N 0 0 383.448 4.017 20 5 GIBDRN CC(C)(NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000574353726 823707341 /nfs/dbraw/zinc/70/73/41/823707341.db2.gz GWHLOPLEDDAJTE-UHFFFAOYSA-N 0 0 382.338 4.087 20 5 GIBDRN C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000191599838 823708474 /nfs/dbraw/zinc/70/84/74/823708474.db2.gz SXMUPSHRPQWWRX-JKSUJKDBSA-N 0 0 380.448 4.241 20 5 GIBDRN COc1cccc(N2CC[C@H](CNc3nccc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000413111710 823709050 /nfs/dbraw/zinc/70/90/50/823709050.db2.gz IZBZNKLTXMCBKE-OAHLLOKOSA-N 0 0 378.432 4.090 20 5 GIBDRN C[C@H]1CCCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461839013 823709805 /nfs/dbraw/zinc/70/98/05/823709805.db2.gz 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AGFSPCAIBONUOY-OAHLLOKOSA-N 0 0 383.473 4.158 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCCCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000176046572 823105926 /nfs/dbraw/zinc/10/59/26/823105926.db2.gz DSVOMNAQYDVFRM-QGZVFWFLSA-N 0 0 385.464 4.260 20 5 GIBDRN O=C(NC[C@H]1CSc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000458925811 823107129 /nfs/dbraw/zinc/10/71/29/823107129.db2.gz VIVKHMAVEXQRJE-HNNXBMFYSA-N 0 0 383.473 4.158 20 5 GIBDRN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc2O1 ZINC000458949484 823109957 /nfs/dbraw/zinc/10/99/57/823109957.db2.gz QRUIMSUTLTYHJC-RDTXWAMCSA-N 0 0 381.432 4.181 20 5 GIBDRN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176061983 823109938 /nfs/dbraw/zinc/10/99/38/823109938.db2.gz BDPOMXUBKLTOSN-UHFFFAOYSA-N 0 0 383.795 4.163 20 5 GIBDRN Cc1c(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C ZINC000187679247 823111582 /nfs/dbraw/zinc/11/15/82/823111582.db2.gz ZVLJTHMUZWVYLH-SFHVURJKSA-N 0 0 399.838 4.082 20 5 GIBDRN Cc1sc(CNC(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccc(Cl)cc1 ZINC000056248248 823111703 /nfs/dbraw/zinc/11/17/03/823111703.db2.gz FLNDNZAEEKLXKQ-UHFFFAOYSA-N 0 0 377.809 4.203 20 5 GIBDRN O=C(c1ccc(Oc2ccccc2)nc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121071498 823112910 /nfs/dbraw/zinc/11/29/10/823112910.db2.gz ZQKATHOHRUEANJ-UHFFFAOYSA-N 0 0 375.384 4.375 20 5 GIBDRN CSc1ccc(C(=O)Nc2cc(C)c(Br)cn2)cc1[N+](=O)[O-] ZINC000176074417 823113116 /nfs/dbraw/zinc/11/31/16/823113116.db2.gz UZBGBNNEZPMMEH-UHFFFAOYSA-N 0 0 382.239 4.035 20 5 GIBDRN C[C@H](C(=O)NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000187711497 823118191 /nfs/dbraw/zinc/11/81/91/823118191.db2.gz DAAYMEJNIFCWGD-XHDPSFHLSA-N 0 0 384.329 4.300 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OC(C)C ZINC000056287800 823121468 /nfs/dbraw/zinc/12/14/68/823121468.db2.gz SHVBPRLHBARSEN-UHFFFAOYSA-N 0 0 386.448 4.441 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000056287856 823121483 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C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005118475 817552693 /nfs/dbraw/zinc/55/26/93/817552693.db2.gz XQWQHPRMUDXRFX-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1ccc(-c2nc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cs2)o1 ZINC000176711506 823274708 /nfs/dbraw/zinc/27/47/08/823274708.db2.gz PIPWGFJCILFDRF-UHFFFAOYSA-N 0 0 394.412 4.349 20 5 GIBDRN CSc1ccc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc1[N+](=O)[O-] ZINC000188611256 823272443 /nfs/dbraw/zinc/27/24/43/823272443.db2.gz HXSWZVNQDHQEOR-UHFFFAOYSA-N 0 0 399.472 4.017 20 5 GIBDRN O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000005361686 817577269 /nfs/dbraw/zinc/57/72/69/817577269.db2.gz IFXGPBABTYLRMB-UHFFFAOYSA-N 0 0 398.459 4.111 20 5 GIBDRN CCCc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)sc1C ZINC000005435575 817583688 /nfs/dbraw/zinc/58/36/88/817583688.db2.gz VOQFWLCGNDZXLH-UHFFFAOYSA-N 0 0 376.434 4.021 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2cccs2)o1 ZINC000005464232 817586439 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O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005916598 817630301 /nfs/dbraw/zinc/63/03/01/817630301.db2.gz HTVBSYPFTWEWMF-UHFFFAOYSA-N 0 0 398.802 4.126 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000176718670 823276204 /nfs/dbraw/zinc/27/62/04/823276204.db2.gz JBTVIWSCUGMFNE-CYBMUJFWSA-N 0 0 393.390 4.407 20 5 GIBDRN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC[C@@H](C)C2 ZINC000006155019 817664139 /nfs/dbraw/zinc/66/41/39/817664139.db2.gz WAYPFAWKDNWGSJ-SECBINFHSA-N 0 0 394.474 4.272 20 5 GIBDRN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006187568 817666666 /nfs/dbraw/zinc/66/66/66/817666666.db2.gz FRGAHZCUSSMMRM-VIFPVBQESA-N 0 0 376.825 4.244 20 5 GIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000572083690 823280554 /nfs/dbraw/zinc/28/05/54/823280554.db2.gz RJBOZWCLJVHKJZ-QGZVFWFLSA-N 0 0 385.439 4.256 20 5 GIBDRN O=C(CSc1nc2ccc(Cl)cc2o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000006400108 817688251 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396.424 4.022 20 5 GIBDRN O=C(COC(=O)c1cccc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007604218 817878048 /nfs/dbraw/zinc/87/80/48/817878048.db2.gz DTZIESBQIIRDGC-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN CSc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007795505 817917609 /nfs/dbraw/zinc/91/76/09/817917609.db2.gz BTDJNOAQJDCBRJ-LLVKDONJSA-N 0 0 385.401 4.285 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000007915653 817957403 /nfs/dbraw/zinc/95/74/03/817957403.db2.gz AUHYYXGDQGLUON-UHFFFAOYSA-N 0 0 394.431 4.107 20 5 GIBDRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000007915840 817957603 /nfs/dbraw/zinc/95/76/03/817957603.db2.gz PWMKDTVOGRWMFR-HXUWFJFHSA-N 0 0 389.411 4.095 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000057449359 823298731 /nfs/dbraw/zinc/29/87/31/823298731.db2.gz KSOHQPMLBKVCMH-UHFFFAOYSA-N 0 0 375.428 4.221 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)NCc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000007944089 817966350 /nfs/dbraw/zinc/96/63/50/817966350.db2.gz SCJDPENFNFMPBK-UHFFFAOYSA-N 0 0 398.488 4.311 20 5 GIBDRN CN(Cc1ccccc1F)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007964303 817969103 /nfs/dbraw/zinc/96/91/03/817969103.db2.gz LFJVPVYVWBFNPB-UHFFFAOYSA-N 0 0 399.344 4.213 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCO[C@@H](c2ccco2)C1 ZINC000176830102 823304191 /nfs/dbraw/zinc/30/41/91/823304191.db2.gz HUZJXZNSKLIGFX-HXUWFJFHSA-N 0 0 394.383 4.194 20 5 GIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Br ZINC000176831328 823304506 /nfs/dbraw/zinc/30/45/06/823304506.db2.gz PBHRTDDALWLMDG-UHFFFAOYSA-N 0 0 395.228 4.249 20 5 GIBDRN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2s1 ZINC000008138498 818006545 /nfs/dbraw/zinc/00/65/45/818006545.db2.gz CWPXZAKDTHVGRK-UHFFFAOYSA-N 0 0 382.445 4.365 20 5 GIBDRN Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000008143804 818007004 /nfs/dbraw/zinc/00/70/04/818007004.db2.gz SESLOFUYEOFNBY-UHFFFAOYSA-N 0 0 381.354 4.072 20 5 GIBDRN O=C(CCc1ccc(-c2ccccc2)o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000008146320 818007409 /nfs/dbraw/zinc/00/74/09/818007409.db2.gz ASQJSFQWGJJPEP-UHFFFAOYSA-N 0 0 379.416 4.016 20 5 GIBDRN Cc1c(C(=O)OCC(=O)N[C@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000008154478 818008274 /nfs/dbraw/zinc/00/82/74/818008274.db2.gz FGSJNYWVMUILII-OAHLLOKOSA-N 0 0 392.411 4.091 20 5 GIBDRN COc1ccc2cc([C@H](C)C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000008175678 818011665 /nfs/dbraw/zinc/01/16/65/818011665.db2.gz QMONRXCLWHSFCX-HNNXBMFYSA-N 0 0 393.443 4.088 20 5 GIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc(-c2ccc(F)cc2)o1 ZINC000008290070 818030157 /nfs/dbraw/zinc/03/01/57/818030157.db2.gz GVHSOCYOKXHQMN-SECBINFHSA-N 0 0 391.742 4.355 20 5 GIBDRN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000008287500 818030238 /nfs/dbraw/zinc/03/02/38/818030238.db2.gz QITBAQZJQKWLMM-UHFFFAOYSA-N 0 0 393.348 4.075 20 5 GIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(C(F)(F)F)cc1 ZINC000010963281 818035634 /nfs/dbraw/zinc/03/56/34/818035634.db2.gz GCEZJTWJLPXUHJ-UHFFFAOYSA-N 0 0 382.294 4.027 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000011039703 818047327 /nfs/dbraw/zinc/04/73/27/818047327.db2.gz SVTHGALAAMQEPS-SNVBAGLBSA-N 0 0 383.326 4.061 20 5 GIBDRN C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011112480 818053127 /nfs/dbraw/zinc/05/31/27/818053127.db2.gz FHSGLCTWQVVCKY-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000011172511 818058693 /nfs/dbraw/zinc/05/86/93/818058693.db2.gz KECUINCYOLDJHY-NSHDSACASA-N 0 0 393.237 4.247 20 5 GIBDRN O=C(OCc1cccc2cccnc21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000011214946 818062475 /nfs/dbraw/zinc/06/24/75/818062475.db2.gz HFUFLKGNGGLJNZ-UHFFFAOYSA-N 0 0 387.189 4.263 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1OC(F)F ZINC000011248334 818065298 /nfs/dbraw/zinc/06/52/98/818065298.db2.gz IBCODBOTRQIQGT-UHFFFAOYSA-N 0 0 394.377 4.395 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])OCc1csc(-c2cccs2)n1 ZINC000011315460 818071001 /nfs/dbraw/zinc/07/10/01/818071001.db2.gz ROIYAYGLSSTGKT-UHFFFAOYSA-N 0 0 389.458 4.325 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057560424 823310103 /nfs/dbraw/zinc/31/01/03/823310103.db2.gz VFMMTFCCUPEKFB-ZDUSSCGKSA-N 0 0 378.388 4.121 20 5 GIBDRN COc1cc(CCNc2cc3ccccc3c(Cl)n2)c([N+](=O)[O-])cc1OC ZINC000011380217 818077217 /nfs/dbraw/zinc/07/72/17/818077217.db2.gz BRFHWNAPWSYDEO-UHFFFAOYSA-N 0 0 387.823 4.468 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000011482008 818085804 /nfs/dbraw/zinc/08/58/04/818085804.db2.gz GYAJDNGALSOZMT-UHFFFAOYSA-N 0 0 379.796 4.158 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(SC)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000011544179 818094331 /nfs/dbraw/zinc/09/43/31/818094331.db2.gz FWOFIJXNOHEJCV-UHFFFAOYSA-N 0 0 384.360 4.179 20 5 GIBDRN COc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011575787 818096589 /nfs/dbraw/zinc/09/65/89/818096589.db2.gz CGZJMXSIGVAFLD-UHFFFAOYSA-N 0 0 392.411 4.216 20 5 GIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000409816661 823315262 /nfs/dbraw/zinc/31/52/62/823315262.db2.gz DXISEAWOVITVFV-UHFFFAOYSA-N 0 0 383.326 4.334 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000012101292 818142160 /nfs/dbraw/zinc/14/21/60/818142160.db2.gz GBJKSSQUPZZBMV-UHFFFAOYSA-N 0 0 383.404 4.053 20 5 GIBDRN Nc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000012625237 818172634 /nfs/dbraw/zinc/17/26/34/818172634.db2.gz NODMMMPWHKVJLG-UHFFFAOYSA-N 0 0 381.363 4.038 20 5 GIBDRN O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000012716638 818177698 /nfs/dbraw/zinc/17/76/98/818177698.db2.gz INVYBHQFDGQYCV-UHFFFAOYSA-N 0 0 382.397 4.266 20 5 GIBDRN C[C@@H](NC(=O)c1csc(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000409825497 823317775 /nfs/dbraw/zinc/31/77/75/823317775.db2.gz XLQSYWUUYDNVCD-CQSZACIVSA-N 0 0 381.457 4.328 20 5 GIBDRN C[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012834955 818186203 /nfs/dbraw/zinc/18/62/03/818186203.db2.gz GLLKTWFIZUUWKD-WHGQRRHOSA-N 0 0 395.444 4.003 20 5 GIBDRN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000572317045 823318951 /nfs/dbraw/zinc/31/89/51/823318951.db2.gz JVIPVYWSJQENSB-CYBMUJFWSA-N 0 0 375.388 4.253 20 5 GIBDRN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)c(F)c1 ZINC000176902773 823320793 /nfs/dbraw/zinc/32/07/93/823320793.db2.gz JQNXVNOPGWIEAP-UHFFFAOYSA-N 0 0 399.191 4.301 20 5 GIBDRN CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1cccs1 ZINC000176927756 823326080 /nfs/dbraw/zinc/32/60/80/823326080.db2.gz YJCGIDQBWBFRGT-UHFFFAOYSA-N 0 0 387.446 4.368 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)no1 ZINC000176926677 823326140 /nfs/dbraw/zinc/32/61/40/823326140.db2.gz YQEVOSFESCFLQU-LBPRGKRZSA-N 0 0 381.392 4.144 20 5 GIBDRN COc1c(Br)c([N+](=O)[O-])c(NCc2ccccc2C)cc1[N+](=O)[O-] ZINC000014233104 818229966 /nfs/dbraw/zinc/22/99/66/818229966.db2.gz YAEGUQPOQMKCMY-UHFFFAOYSA-N 0 0 396.197 4.195 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000014398228 818241611 /nfs/dbraw/zinc/24/16/11/818241611.db2.gz LROUVWYTVIERCR-KRWDZBQOSA-N 0 0 390.823 4.061 20 5 GIBDRN CCOc1ccc(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC ZINC000014511061 818248500 /nfs/dbraw/zinc/24/85/00/818248500.db2.gz SDHRTFZHRHLYEX-UHFFFAOYSA-N 0 0 392.839 4.018 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1 ZINC000014658651 818256289 /nfs/dbraw/zinc/25/62/89/818256289.db2.gz FGABONMYGPLAEK-UHFFFAOYSA-N 0 0 397.412 4.066 20 5 GIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(F)c(Cl)nc1Cl ZINC000176921121 823324789 /nfs/dbraw/zinc/32/47/89/823324789.db2.gz HTSAIZNPHBZCDT-UHFFFAOYSA-N 0 0 381.150 4.236 20 5 GIBDRN O=C(CCSCc1ccn(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000409848582 823325141 /nfs/dbraw/zinc/32/51/41/823325141.db2.gz OVQCUTQNXGFLAV-UHFFFAOYSA-N 0 0 382.445 4.043 20 5 GIBDRN O=C(NC1CC1)c1cc(SCc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000057730737 823325532 /nfs/dbraw/zinc/32/55/32/823325532.db2.gz MRIMMSRGEKORRI-UHFFFAOYSA-N 0 0 379.441 4.328 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000015084914 818288755 /nfs/dbraw/zinc/28/87/55/818288755.db2.gz YHJOQONDYCJACT-UHFFFAOYSA-N 0 0 393.399 4.446 20 5 GIBDRN CN1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c2cc(Cl)ccc21 ZINC000572350473 823325626 /nfs/dbraw/zinc/32/56/26/823325626.db2.gz XZJUBFJLUHGKQF-UHFFFAOYSA-N 0 0 399.756 4.364 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000015086780 818289293 /nfs/dbraw/zinc/28/92/93/818289293.db2.gz DHLZVWPSLVYKCP-UHFFFAOYSA-N 0 0 384.219 4.351 20 5 GIBDRN Cc1ccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 ZINC000015127922 818292868 /nfs/dbraw/zinc/29/28/68/818292868.db2.gz CJXMAGQKHDXLJT-UHFFFAOYSA-N 0 0 390.443 4.375 20 5 GIBDRN O=C(CCSCc1noc(C2CCCCC2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000409853602 823327178 /nfs/dbraw/zinc/32/71/78/823327178.db2.gz CXODBLHAVXDRKV-UHFFFAOYSA-N 0 0 390.465 4.288 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000015288192 818306389 /nfs/dbraw/zinc/30/63/89/818306389.db2.gz ZXKSUFQKYDIROM-JTQLQIEISA-N 0 0 398.246 4.200 20 5 GIBDRN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000015291414 818306726 /nfs/dbraw/zinc/30/67/26/818306726.db2.gz CGWAUALOHKAPNM-UHFFFAOYSA-N 0 0 389.717 4.039 20 5 GIBDRN Cc1cnc([C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)s1 ZINC000122250129 823327870 /nfs/dbraw/zinc/32/78/70/823327870.db2.gz ZQGXGKBAAOPROB-KRWDZBQOSA-N 0 0 386.477 4.185 20 5 GIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(Br)c1 ZINC000015316177 818312396 /nfs/dbraw/zinc/31/23/96/818312396.db2.gz SCGHRBVXNITPNQ-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015372242 818318973 /nfs/dbraw/zinc/31/89/73/818318973.db2.gz CUSFTXUZLGLUIG-HXUWFJFHSA-N 0 0 384.432 4.197 20 5 GIBDRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015410534 818322210 /nfs/dbraw/zinc/32/22/10/818322210.db2.gz VICSAGKXVSKKJO-UHFFFAOYSA-N 0 0 395.415 4.268 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(C(C)C)cc2)cc1OC ZINC000015536225 818334486 /nfs/dbraw/zinc/33/44/86/818334486.db2.gz YPAINXBQVXVEOE-UHFFFAOYSA-N 0 0 386.448 4.098 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000015600562 818345381 /nfs/dbraw/zinc/34/53/81/818345381.db2.gz MTMZIZRBLCOYFB-MRXNPFEDSA-N 0 0 392.459 4.290 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000015600563 818345510 /nfs/dbraw/zinc/34/55/10/818345510.db2.gz MTMZIZRBLCOYFB-INIZCTEOSA-N 0 0 392.459 4.290 20 5 GIBDRN CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(F)cc1 ZINC000057769200 823329942 /nfs/dbraw/zinc/32/99/42/823329942.db2.gz YCUNAKOQQPSSEN-UHFFFAOYSA-N 0 0 396.422 4.262 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000015651976 818355349 /nfs/dbraw/zinc/35/53/49/818355349.db2.gz MBUHIVDNICJDQA-SNVBAGLBSA-N 0 0 389.458 4.332 20 5 GIBDRN CCNc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] ZINC000015699870 818359897 /nfs/dbraw/zinc/35/98/97/818359897.db2.gz AXPPWDOWHBJWMV-UHFFFAOYSA-N 0 0 383.404 4.320 20 5 GIBDRN COc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000015789169 818366944 /nfs/dbraw/zinc/36/69/44/818366944.db2.gz DULMGVMHDCZHOO-UHFFFAOYSA-N 0 0 376.412 4.165 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc([N+](=O)[O-])c1 ZINC000015982781 818381064 /nfs/dbraw/zinc/38/10/64/818381064.db2.gz RFTKOFDLNWNWRG-UHFFFAOYSA-N 0 0 388.379 4.205 20 5 GIBDRN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016094196 818392743 /nfs/dbraw/zinc/39/27/43/818392743.db2.gz HSCYQHJYPPHFJQ-UHFFFAOYSA-N 0 0 399.705 4.174 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CCC(F)(F)F)cc1 ZINC000176957510 823334387 /nfs/dbraw/zinc/33/43/87/823334387.db2.gz KNEHFDDDIOCKMG-UHFFFAOYSA-N 0 0 397.353 4.149 20 5 GIBDRN CCCn1c(C)cc(C(=O)COC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1C ZINC000016196679 818404757 /nfs/dbraw/zinc/40/47/57/818404757.db2.gz IFQLEJRGJZOFMM-UHFFFAOYSA-N 0 0 390.461 4.185 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000016197132 818405670 /nfs/dbraw/zinc/40/56/70/818405670.db2.gz SDNHBVRIJDESHK-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000176959955 823335101 /nfs/dbraw/zinc/33/51/01/823335101.db2.gz COZIUSLZJNFXRW-UHFFFAOYSA-N 0 0 383.282 4.250 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1c(Cl)ccc2cccnc21 ZINC000057814194 823336016 /nfs/dbraw/zinc/33/60/16/823336016.db2.gz SHGMIMAJZNVOQU-UHFFFAOYSA-N 0 0 392.802 4.068 20 5 GIBDRN CCNc1nc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000016397462 818435438 /nfs/dbraw/zinc/43/54/38/818435438.db2.gz ZAJLMLQGAFXLCO-LBPRGKRZSA-N 0 0 397.460 4.089 20 5 GIBDRN C[C@H](Sc1ccccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016549061 818453778 /nfs/dbraw/zinc/45/37/78/818453778.db2.gz VMAZHIHDPRJVBO-JTQLQIEISA-N 0 0 381.251 4.477 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccc(N(CC)CC)cc2)c([N+](=O)[O-])cc1OC ZINC000016598671 818458442 /nfs/dbraw/zinc/45/84/42/818458442.db2.gz RZBXMWBKAXVABA-UHFFFAOYSA-N 0 0 387.436 4.101 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000016641733 818461873 /nfs/dbraw/zinc/46/18/73/818461873.db2.gz SBJHGOBFWDRIGC-NSHDSACASA-N 0 0 377.491 4.383 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000016643650 818462702 /nfs/dbraw/zinc/46/27/02/818462702.db2.gz ZYMMZKLSHBMNSW-UHFFFAOYSA-N 0 0 397.431 4.219 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2csc3ccccc23)cc1OC ZINC000057837400 823339558 /nfs/dbraw/zinc/33/95/58/823339558.db2.gz RMEZCKDIBXOFEY-UHFFFAOYSA-N 0 0 386.429 4.147 20 5 GIBDRN O=C(COC(c1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057836683 823339605 /nfs/dbraw/zinc/33/96/05/823339605.db2.gz UZTHZJHJPQLWKR-UHFFFAOYSA-N 0 0 388.423 4.290 20 5 GIBDRN CCn1c(-c2cc(C)oc2C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460288179 823340941 /nfs/dbraw/zinc/34/09/41/823340941.db2.gz FWEGEZOZEJBYIE-UHFFFAOYSA-N 0 0 381.436 4.252 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC000460287831 823341094 /nfs/dbraw/zinc/34/10/94/823341094.db2.gz IXYVRAUVLVCGCR-SFHVURJKSA-N 0 0 393.447 4.223 20 5 GIBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122344010 823341365 /nfs/dbraw/zinc/34/13/65/823341365.db2.gz ZCZJTFBMXYDSTO-CYBMUJFWSA-N 0 0 392.814 4.319 20 5 GIBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122344217 823341517 /nfs/dbraw/zinc/34/15/17/823341517.db2.gz ZCZJTFBMXYDSTO-ZDUSSCGKSA-N 0 0 392.814 4.319 20 5 GIBDRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000017446697 818515188 /nfs/dbraw/zinc/51/51/88/818515188.db2.gz ZAYQQHRTBALZLF-UHFFFAOYSA-N 0 0 388.427 4.407 20 5 GIBDRN Cc1c(-c2ccccc2)sc2ncn(Cc3cccc([N+](=O)[O-])c3)c(=O)c12 ZINC000017480458 818516693 /nfs/dbraw/zinc/51/66/93/818516693.db2.gz PEKIMVCFJRUQTO-UHFFFAOYSA-N 0 0 377.425 4.390 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 ZINC000176985964 823342821 /nfs/dbraw/zinc/34/28/21/823342821.db2.gz XFKYQDBOOXNFON-UHFFFAOYSA-N 0 0 387.411 4.213 20 5 GIBDRN CSc1nnc(CCCNc2ccc(F)cc2[N+](=O)[O-])n1C1CCCC1 ZINC000057877893 823344036 /nfs/dbraw/zinc/34/40/36/823344036.db2.gz LWFJYLGKFNSDGP-UHFFFAOYSA-N 0 0 379.461 4.207 20 5 GIBDRN CN(Cc1ccc(F)cc1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018009807 818538168 /nfs/dbraw/zinc/53/81/68/818538168.db2.gz UEXIFKPQFBYKOE-UHFFFAOYSA-N 0 0 399.344 4.213 20 5 GIBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)Nc1ccccc1 ZINC000018142903 818550597 /nfs/dbraw/zinc/55/05/97/818550597.db2.gz NBHVGVNDGKMBQN-UHFFFAOYSA-N 0 0 397.460 4.252 20 5 GIBDRN CN(Cc1ccsc1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018217016 818557355 /nfs/dbraw/zinc/55/73/55/818557355.db2.gz IZHYOCXNTFHCFT-UHFFFAOYSA-N 0 0 387.383 4.136 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000057891731 823345742 /nfs/dbraw/zinc/34/57/42/823345742.db2.gz LGIIBACVNZPTHS-NSHDSACASA-N 0 0 378.812 4.147 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000460305000 823346901 /nfs/dbraw/zinc/34/69/01/823346901.db2.gz KUFGLSSPANMMLH-VXGBXAGGSA-N 0 0 376.409 4.029 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1[N+](=O)[O-] ZINC000019005999 818584193 /nfs/dbraw/zinc/58/41/93/818584193.db2.gz FASXAXZXWIGHLS-UHFFFAOYSA-N 0 0 379.210 4.317 20 5 GIBDRN Cc1cc(C)cc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000019212501 818587914 /nfs/dbraw/zinc/58/79/14/818587914.db2.gz XGXBSUZOVKDDHF-UHFFFAOYSA-N 0 0 375.446 4.390 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)[C@@H](C)CC)cc1OC ZINC000019358226 818591810 /nfs/dbraw/zinc/59/18/10/818591810.db2.gz JRPGWGWSAHMSRQ-HNNXBMFYSA-N 0 0 386.448 4.443 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000019677304 818597679 /nfs/dbraw/zinc/59/76/79/818597679.db2.gz GUYINUYAKPFSFY-UHFFFAOYSA-N 0 0 385.807 4.329 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000019676549 818597689 /nfs/dbraw/zinc/59/76/89/818597689.db2.gz YINALBNYXGQRMN-AWEZNQCLSA-N 0 0 390.443 4.048 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(Br)c1 ZINC000020890829 818636066 /nfs/dbraw/zinc/63/60/66/818636066.db2.gz PCOIWWDWMZVCLI-UHFFFAOYSA-N 0 0 378.226 4.188 20 5 GIBDRN CN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000021002404 818647153 /nfs/dbraw/zinc/64/71/53/818647153.db2.gz SSZFGPAIGNRTBQ-UHFFFAOYSA-N 0 0 375.428 4.479 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000021125039 818656251 /nfs/dbraw/zinc/65/62/51/818656251.db2.gz DIKBIHJNNNRPIC-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN CN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2cc(Cl)ccc21 ZINC000460326697 823354502 /nfs/dbraw/zinc/35/45/02/823354502.db2.gz MSFOEQMHWVUIFS-UHFFFAOYSA-N 0 0 394.258 4.317 20 5 GIBDRN C[C@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021239153 818667945 /nfs/dbraw/zinc/66/79/45/818667945.db2.gz CTXAQUSRZQLJCR-ZDUSSCGKSA-N 0 0 390.823 4.063 20 5 GIBDRN CO[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000460331387 823355963 /nfs/dbraw/zinc/35/59/63/823355963.db2.gz WZHAQBWNWOJHEQ-SJKOYZFVSA-N 0 0 394.880 4.233 20 5 GIBDRN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000409965994 823356814 /nfs/dbraw/zinc/35/68/14/823356814.db2.gz KHUCYOVMBBJXPN-IAQYHMDHSA-N 0 0 381.354 4.175 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OCC ZINC000177041736 823357470 /nfs/dbraw/zinc/35/74/70/823357470.db2.gz BLEGFLQLVMXXIG-GFCCVEGCSA-N 0 0 376.384 4.022 20 5 GIBDRN C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021637345 818718676 /nfs/dbraw/zinc/71/86/76/818718676.db2.gz INVPVDMJABQWFF-MRVPVSSYSA-N 0 0 389.330 4.267 20 5 GIBDRN CC[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)s1 ZINC000460339568 823358011 /nfs/dbraw/zinc/35/80/11/823358011.db2.gz OVEYGDPGDQFPOS-CYBMUJFWSA-N 0 0 395.868 4.365 20 5 GIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177044367 823358470 /nfs/dbraw/zinc/35/84/70/823358470.db2.gz LIGSVHRZIHMCEA-AWEZNQCLSA-N 0 0 398.463 4.180 20 5 GIBDRN Cc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)s1 ZINC000122485095 823361365 /nfs/dbraw/zinc/36/13/65/823361365.db2.gz QBGNRNHEXYUJLL-UHFFFAOYSA-N 0 0 393.896 4.013 20 5 GIBDRN Cc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000021819441 818739458 /nfs/dbraw/zinc/73/94/58/818739458.db2.gz IPRSYMXAPPGKBQ-LLVKDONJSA-N 0 0 378.226 4.105 20 5 GIBDRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000409978094 823360690 /nfs/dbraw/zinc/36/06/90/823360690.db2.gz RDJBEWYCHDTPBK-UHFFFAOYSA-N 0 0 387.442 4.151 20 5 GIBDRN CCOc1cc(C(=O)N(C)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000409978783 823360949 /nfs/dbraw/zinc/36/09/49/823360949.db2.gz JMGDKSJFQVKSNL-UHFFFAOYSA-N 0 0 396.802 4.067 20 5 GIBDRN Cc1ccc(OCc2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])c1 ZINC000022052458 818767246 /nfs/dbraw/zinc/76/72/46/818767246.db2.gz ULIAXKKQLZXAJC-UHFFFAOYSA-N 0 0 380.194 4.016 20 5 GIBDRN COC(=O)c1ccc(OCc2csc(-c3ccsc3)n2)c([N+](=O)[O-])c1 ZINC000022187737 818780906 /nfs/dbraw/zinc/78/09/06/818780906.db2.gz ZXQIAIINJQFFNG-UHFFFAOYSA-N 0 0 376.415 4.145 20 5 GIBDRN CC(=O)c1ccc(N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000022260978 818787562 /nfs/dbraw/zinc/78/75/62/818787562.db2.gz IKRKGINZYSWKSE-GOSISDBHSA-N 0 0 384.823 4.386 20 5 GIBDRN Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000460361458 823363820 /nfs/dbraw/zinc/36/38/20/823363820.db2.gz HHQXJXOVRRBEOD-FQEVSTJZSA-N 0 0 379.441 4.339 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022547535 818823513 /nfs/dbraw/zinc/82/35/13/818823513.db2.gz HYZFLUUYNKRPQJ-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122518649 823366005 /nfs/dbraw/zinc/36/60/05/823366005.db2.gz VVWCDOYMQPREQT-YOEHRIQHSA-N 0 0 386.473 4.214 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000022550785 818824173 /nfs/dbraw/zinc/82/41/73/818824173.db2.gz JGBNXGAGZSPQNL-BCRSCGJKSA-N 0 0 388.807 4.140 20 5 GIBDRN CC(C)c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000022564180 818827693 /nfs/dbraw/zinc/82/76/93/818827693.db2.gz XYAFSWGLIYCQIY-UHFFFAOYSA-N 0 0 385.399 4.435 20 5 GIBDRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000022655015 818837970 /nfs/dbraw/zinc/83/79/70/818837970.db2.gz NBYSFNAMHSCYRE-UHFFFAOYSA-N 0 0 376.840 4.355 20 5 GIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000022668002 818839427 /nfs/dbraw/zinc/83/94/27/818839427.db2.gz IOTUPPKSEHQUPY-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000022672677 818840420 /nfs/dbraw/zinc/84/04/20/818840420.db2.gz WTQSBQOQYUOASS-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000022793336 818862068 /nfs/dbraw/zinc/86/20/68/818862068.db2.gz VFHGWYMHPYYPFK-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(F)c(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000022913331 818875469 /nfs/dbraw/zinc/87/54/69/818875469.db2.gz UXRIGEPZMLIIGA-VIFPVBQESA-N 0 0 398.749 4.019 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000022911671 818875714 /nfs/dbraw/zinc/87/57/14/818875714.db2.gz MZECCXKSMUUXNB-UONOGXRCSA-N 0 0 396.399 4.072 20 5 GIBDRN Cc1cccc(C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)c1[N+](=O)[O-] ZINC000572641312 823373310 /nfs/dbraw/zinc/37/33/10/823373310.db2.gz CIOUVMDUPJWRFX-UHFFFAOYSA-N 0 0 392.440 4.243 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000022973069 818881756 /nfs/dbraw/zinc/88/17/56/818881756.db2.gz KTVQHHVYYSMGFA-JKSUJKDBSA-N 0 0 388.489 4.360 20 5 GIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CO1 ZINC000460382597 823370648 /nfs/dbraw/zinc/37/06/48/823370648.db2.gz BYEQVIBSEOIUEH-VBKZILBWSA-N 0 0 380.400 4.252 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1CCCCC1 ZINC000023030201 818889369 /nfs/dbraw/zinc/88/93/69/818889369.db2.gz YLCDKSRMYQDEPI-UHFFFAOYSA-N 0 0 376.400 4.402 20 5 GIBDRN COc1ccc(C)cc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000023204636 818908927 /nfs/dbraw/zinc/90/89/27/818908927.db2.gz UILIVSVYDHLFHY-UHFFFAOYSA-N 0 0 387.435 4.215 20 5 GIBDRN COc1cccc([C@@H](C)CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000177105259 823372776 /nfs/dbraw/zinc/37/27/76/823372776.db2.gz LSMRDXZSPDQCHC-ZDUSSCGKSA-N 0 0 376.840 4.409 20 5 GIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023344505 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0 0 375.631 4.002 20 5 GIBDRN Cc1ccc(OCc2nc(CC(=O)OCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000025631562 820008550 /nfs/dbraw/zinc/00/85/50/820008550.db2.gz HCFGJRIFZMNALL-UHFFFAOYSA-N 0 0 398.440 4.225 20 5 GIBDRN CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000573078870 823444937 /nfs/dbraw/zinc/44/49/37/823444937.db2.gz HMSKYGBIBKIJHD-KRWDZBQOSA-N 0 0 394.431 4.478 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000573078750 823444943 /nfs/dbraw/zinc/44/49/43/823444943.db2.gz YGVLLLJMLSYKIX-LLVKDONJSA-N 0 0 378.812 4.065 20 5 GIBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122998041 823446038 /nfs/dbraw/zinc/44/60/38/823446038.db2.gz MOKGPEXJCNYFTI-QAPCUYQASA-N 0 0 392.814 4.116 20 5 GIBDRN Cc1cc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000025879296 820034746 /nfs/dbraw/zinc/03/47/46/820034746.db2.gz MXWQLEGNPHGYGB-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN CNC(=O)[C@H]1CCCc2sc(/C=C/C(C)=C/c3cccc([N+](=O)[O-])c3)nc21 ZINC000573137767 823453146 /nfs/dbraw/zinc/45/31/46/823453146.db2.gz XZKBIHDQWIENJS-FECITAMQSA-N 0 0 383.473 4.334 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025931311 820041263 /nfs/dbraw/zinc/04/12/63/820041263.db2.gz DAQXXNTYASOEOC-UHFFFAOYSA-N 0 0 379.372 4.145 20 5 GIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000460593853 823448295 /nfs/dbraw/zinc/44/82/95/823448295.db2.gz BTPCJZXVMVFMHP-WFASDCNBSA-N 0 0 397.401 4.286 20 5 GIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000460593851 823448358 /nfs/dbraw/zinc/44/83/58/823448358.db2.gz BTPCJZXVMVFMHP-IUODEOHRSA-N 0 0 397.401 4.286 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000177372897 823448412 /nfs/dbraw/zinc/44/84/12/823448412.db2.gz UKQRGCLBOKIODL-OAHLLOKOSA-N 0 0 376.416 4.217 20 5 GIBDRN CC(C)C1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000177395225 823453291 /nfs/dbraw/zinc/45/32/91/823453291.db2.gz DXDOTNGKDGOJCT-OAHLLOKOSA-N 0 0 382.464 4.329 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000026114241 820059299 /nfs/dbraw/zinc/05/92/99/820059299.db2.gz HMCLAGDULUDZKG-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN CCN(C(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000026113492 820059476 /nfs/dbraw/zinc/05/94/76/820059476.db2.gz VZLMSXOKEBJXKS-UHFFFAOYSA-N 0 0 392.411 4.266 20 5 GIBDRN CCCn1nc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C ZINC000177383900 823450282 /nfs/dbraw/zinc/45/02/82/823450282.db2.gz YVJXWJXGESVRGR-UHFFFAOYSA-N 0 0 385.449 4.194 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] ZINC000026346791 820086235 /nfs/dbraw/zinc/08/62/35/820086235.db2.gz GMYMRXYYQFZPJW-JTQLQIEISA-N 0 0 385.367 4.436 20 5 GIBDRN CCC(CC)NC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000026581121 820116512 /nfs/dbraw/zinc/11/65/12/820116512.db2.gz GLPPKYVYEKAAJG-AWEZNQCLSA-N 0 0 397.544 4.355 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026587413 820117961 /nfs/dbraw/zinc/11/79/61/820117961.db2.gz AFZPHCRLQNPTJC-LLVKDONJSA-N 0 0 378.226 4.105 20 5 GIBDRN Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])CC3 ZINC000026728157 820136849 /nfs/dbraw/zinc/13/68/49/820136849.db2.gz NHCYPLXFACZGJI-UHFFFAOYSA-N 0 0 392.459 4.085 20 5 GIBDRN CNC(=O)c1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000026729332 820137696 /nfs/dbraw/zinc/13/76/96/820137696.db2.gz JRRCFMVFYFCXAR-UHFFFAOYSA-N 0 0 387.745 4.239 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058821261 823458977 /nfs/dbraw/zinc/45/89/77/823458977.db2.gz BOWWMQIUWHFZFC-CYBMUJFWSA-N 0 0 395.440 4.400 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000027028525 820182469 /nfs/dbraw/zinc/18/24/69/820182469.db2.gz SLIGYWMPUITUQC-HXUWFJFHSA-N 0 0 389.411 4.013 20 5 GIBDRN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cnn(Cc4ccccc4)c3)nc2c1 ZINC000027122305 820196384 /nfs/dbraw/zinc/19/63/84/820196384.db2.gz IVRPESATOOEFMZ-PXNMLYILSA-N 0 0 379.807 4.453 20 5 GIBDRN O=C(Nc1ccccc1N1CCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000027150099 820201248 /nfs/dbraw/zinc/20/12/48/820201248.db2.gz QEIFPSNJMXVWCW-UHFFFAOYSA-N 0 0 384.392 4.136 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000177439655 823462500 /nfs/dbraw/zinc/46/25/00/823462500.db2.gz ZCKLXOLDGIKQID-UHFFFAOYSA-N 0 0 394.225 4.100 20 5 GIBDRN CC[C@@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000027353607 820229883 /nfs/dbraw/zinc/22/98/83/820229883.db2.gz LNEVENFEPDBIJD-CYBMUJFWSA-N 0 0 379.363 4.119 20 5 GIBDRN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000027360201 820231375 /nfs/dbraw/zinc/23/13/75/820231375.db2.gz MRKIWYUESLDFQQ-LBPRGKRZSA-N 0 0 396.369 4.086 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000027384116 820236533 /nfs/dbraw/zinc/23/65/33/820236533.db2.gz MNLQSFHBKKZIQM-IBGZPJMESA-N 0 0 395.459 4.181 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nccn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000027490821 820253169 /nfs/dbraw/zinc/25/31/69/820253169.db2.gz ZYYBAEXPSSTFIP-CQSZACIVSA-N 0 0 382.445 4.208 20 5 GIBDRN CCOc1ncccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000027512533 820255438 /nfs/dbraw/zinc/25/54/38/820255438.db2.gz XMZHLQSDYMERTJ-UHFFFAOYSA-N 0 0 392.415 4.253 20 5 GIBDRN C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027554293 820259285 /nfs/dbraw/zinc/25/92/85/820259285.db2.gz JLEWFGVPJOZMCA-JTQLQIEISA-N 0 0 398.282 4.050 20 5 GIBDRN COc1ccccc1COc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000123133332 823467670 /nfs/dbraw/zinc/46/76/70/823467670.db2.gz XISSFSPRXHELQN-UHFFFAOYSA-N 0 0 382.372 4.336 20 5 GIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000027896709 820294783 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4.268 20 5 GIBDRN Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000460663213 823470814 /nfs/dbraw/zinc/47/08/14/823470814.db2.gz JNPHTGUFRCVIBO-LBPRGKRZSA-N 0 0 377.238 4.465 20 5 GIBDRN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000573251457 823470863 /nfs/dbraw/zinc/47/08/63/823470863.db2.gz NJJQXGGZKCRKFX-UONOGXRCSA-N 0 0 387.358 4.035 20 5 GIBDRN Cc1noc(C)c1COC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000028442576 820337290 /nfs/dbraw/zinc/33/72/90/820337290.db2.gz WADZSYGTVOAHRY-BETUJISGSA-N 0 0 387.436 4.039 20 5 GIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000028466744 820338347 /nfs/dbraw/zinc/33/83/47/820338347.db2.gz YLRXDXNZNHEFBS-KBPBESRZSA-N 0 0 397.431 4.058 20 5 GIBDRN CC[C@@H](C)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] ZINC000028498664 820340848 /nfs/dbraw/zinc/34/08/48/820340848.db2.gz NRSIWQYDABOOKA-CQSZACIVSA-N 0 0 377.466 4.020 20 5 GIBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1nccs1)c1ccccc1 ZINC000123187968 823475994 /nfs/dbraw/zinc/47/59/94/823475994.db2.gz BNFFNEZSTPNKAD-IFXJQAMLSA-N 0 0 396.472 4.148 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)s2)c1 ZINC000029166948 820404156 /nfs/dbraw/zinc/40/41/56/820404156.db2.gz IDEAYEZJHABIRB-UHFFFAOYSA-N 0 0 387.280 4.071 20 5 GIBDRN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1nccs1)c1ccccc1 ZINC000123188137 823476290 /nfs/dbraw/zinc/47/62/90/823476290.db2.gz BNFFNEZSTPNKAD-AUUYWEPGSA-N 0 0 396.472 4.148 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000029231455 820416091 /nfs/dbraw/zinc/41/60/91/820416091.db2.gz RLFHWFAGQCHURI-UHFFFAOYSA-N 0 0 392.459 4.067 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(CC(F)(F)F)C2CCCC2)cc1SC ZINC000177527769 823483105 /nfs/dbraw/zinc/48/31/05/823483105.db2.gz OENAIRDDQYNUCU-UHFFFAOYSA-N 0 0 392.399 4.272 20 5 GIBDRN COc1ccc2cc(CN(C)C(=O)COc3cccc([N+](=O)[O-])c3C)ccc2c1 ZINC000059012613 823483295 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5 GIBDRN Cc1cc(=NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]n1C1CCCCC1 ZINC000573371629 823485744 /nfs/dbraw/zinc/48/57/44/823485744.db2.gz AIJHIZGRDOLDHX-UHFFFAOYSA-N 0 0 385.468 4.084 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cccc1[N+](=O)[O-] ZINC000029818919 820525013 /nfs/dbraw/zinc/52/50/13/820525013.db2.gz REFBQRBPOBWUMT-UHFFFAOYSA-N 0 0 394.456 4.175 20 5 GIBDRN O=C(COC(c1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029890431 820540569 /nfs/dbraw/zinc/54/05/69/820540569.db2.gz JDUUQKMYADKWSL-UHFFFAOYSA-N 0 0 388.423 4.290 20 5 GIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000410401777 823487465 /nfs/dbraw/zinc/48/74/65/823487465.db2.gz HCWNOCHWCJSNNZ-UHFFFAOYSA-N 0 0 376.237 4.066 20 5 GIBDRN CC(C)c1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000189751683 823487989 /nfs/dbraw/zinc/48/79/89/823487989.db2.gz XSPXJQJZXZDKTG-UHFFFAOYSA-N 0 0 396.472 4.209 20 5 GIBDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123267040 823488078 /nfs/dbraw/zinc/48/80/78/823488078.db2.gz MFHLDKKWUFIUMF-UHFFFAOYSA-N 0 0 397.431 4.293 20 5 GIBDRN Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)c1 ZINC000059265832 823488129 /nfs/dbraw/zinc/48/81/29/823488129.db2.gz JSBHQPKIPPMXEH-UHFFFAOYSA-N 0 0 382.445 4.198 20 5 GIBDRN Cc1sc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000189755825 823488753 /nfs/dbraw/zinc/48/87/53/823488753.db2.gz DQYTZYOUMODVTE-UHFFFAOYSA-N 0 0 394.865 4.313 20 5 GIBDRN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030265738 820592424 /nfs/dbraw/zinc/59/24/24/820592424.db2.gz BUKYPCJPMBUZSA-MRXNPFEDSA-N 0 0 390.443 4.225 20 5 GIBDRN CCOc1ccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000030313932 820599454 /nfs/dbraw/zinc/59/94/54/820599454.db2.gz XZLRBKQMACGRNG-UHFFFAOYSA-N 0 0 398.337 4.164 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1Cl ZINC000059292206 823490101 /nfs/dbraw/zinc/49/01/01/823490101.db2.gz QHYUENRDSHZOIZ-UHFFFAOYSA-N 0 0 378.215 4.355 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(C)ccc4[N+](=O)[O-])CC3)c2c1 ZINC000460709492 823490123 /nfs/dbraw/zinc/49/01/23/823490123.db2.gz NDBDAPRYDACWRA-UHFFFAOYSA-N 0 0 391.427 4.323 20 5 GIBDRN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000030358571 820604293 /nfs/dbraw/zinc/60/42/93/820604293.db2.gz WEMWKJDPIRRKTF-INIZCTEOSA-N 0 0 396.468 4.094 20 5 GIBDRN Cc1c(C(=O)N=c2[nH]c3ccccc3n2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000059310037 823491099 /nfs/dbraw/zinc/49/10/99/823491099.db2.gz AYWVDQIODBVHEF-UHFFFAOYSA-N 0 0 378.432 4.432 20 5 GIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000410423446 823492937 /nfs/dbraw/zinc/49/29/37/823492937.db2.gz SBNXXQKHUMMNCJ-QANKJYHBSA-N 0 0 396.443 4.368 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccccc2)n1 ZINC000177570098 823493410 /nfs/dbraw/zinc/49/34/10/823493410.db2.gz IGYHKCCUMITTNC-UHFFFAOYSA-N 0 0 399.497 4.169 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410440091 823495817 /nfs/dbraw/zinc/49/58/17/823495817.db2.gz HYPPOQMRRSSXIR-DLBZAZTESA-N 0 0 394.349 4.264 20 5 GIBDRN CCN(CC)c1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000059423458 823496078 /nfs/dbraw/zinc/49/60/78/823496078.db2.gz FXGIAFSVCLSYCT-UHFFFAOYSA-N 0 0 376.463 4.365 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nccn1Cc1ccccc1 ZINC000030733597 820674769 /nfs/dbraw/zinc/67/47/69/820674769.db2.gz PXHOAAVOOADSOS-HNNXBMFYSA-N 0 0 397.456 4.064 20 5 GIBDRN CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000030778158 820681624 /nfs/dbraw/zinc/68/16/24/820681624.db2.gz DCZVRQPWXZHAOU-ZDUSSCGKSA-N 0 0 399.422 4.023 20 5 GIBDRN COc1ccc(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000030890030 820702135 /nfs/dbraw/zinc/70/21/35/820702135.db2.gz QVSWQAVIQAIDAO-UHFFFAOYSA-N 0 0 386.429 4.099 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)cc([N+](=O)[O-])c1 ZINC000059783076 823498514 /nfs/dbraw/zinc/49/85/14/823498514.db2.gz KAOVVYMLLBFKLF-UHFFFAOYSA-N 0 0 386.404 4.059 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cccc(F)c2)c1 ZINC000059785685 823498862 /nfs/dbraw/zinc/49/88/62/823498862.db2.gz AIQNYWTYIBHIHD-UHFFFAOYSA-N 0 0 380.375 4.494 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000059785701 823498984 /nfs/dbraw/zinc/49/89/84/823498984.db2.gz HJUDERGHNQTJSJ-UHFFFAOYSA-N 0 0 380.375 4.494 20 5 GIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000031070191 820733677 /nfs/dbraw/zinc/73/36/77/820733677.db2.gz AXZOHATYRQGZPU-UHFFFAOYSA-N 0 0 375.812 4.029 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c1 ZINC000177633917 823505069 /nfs/dbraw/zinc/50/50/69/823505069.db2.gz RQYUCGPUCZMBHV-UHFFFAOYSA-N 0 0 394.412 4.477 20 5 GIBDRN COc1ccc([C@H](C)CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000177644046 823506313 /nfs/dbraw/zinc/50/63/13/823506313.db2.gz FZHOTTVZEDXVDG-MRXNPFEDSA-N 0 0 398.459 4.167 20 5 GIBDRN CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000410588641 823505485 /nfs/dbraw/zinc/50/54/85/823505485.db2.gz XPWQEGZTJXDAKZ-HNNXBMFYSA-N 0 0 378.322 4.080 20 5 GIBDRN COc1cc(C(=O)N(c2ccccc2F)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000410522383 823501162 /nfs/dbraw/zinc/50/11/62/823501162.db2.gz GNKMVTJRFLIGGB-UHFFFAOYSA-N 0 0 376.359 4.471 20 5 GIBDRN O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccc([N+](=O)[O-])s1 ZINC000059891586 823502143 /nfs/dbraw/zinc/50/21/43/823502143.db2.gz OPAVSYFUZUNIFQ-UHFFFAOYSA-N 0 0 395.278 4.271 20 5 GIBDRN O=C(OCc1cccc([N+](=O)[O-])c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000123369062 823502253 /nfs/dbraw/zinc/50/22/53/823502253.db2.gz RZNOCIKANIHFAH-UHFFFAOYSA-N 0 0 398.806 4.063 20 5 GIBDRN Cc1cc(NC(=O)CSCC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000189833484 823503648 /nfs/dbraw/zinc/50/36/48/823503648.db2.gz IWIGSKZAYWGPEQ-UHFFFAOYSA-N 0 0 395.440 4.006 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000123420943 823507589 /nfs/dbraw/zinc/50/75/89/823507589.db2.gz ZQGGNNDGDKXJKT-OAHLLOKOSA-N 0 0 392.521 4.416 20 5 GIBDRN Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000031556688 820825571 /nfs/dbraw/zinc/82/55/71/820825571.db2.gz YHTPRXUBJXVMOC-NSHDSACASA-N 0 0 385.355 4.309 20 5 GIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410742752 823511947 /nfs/dbraw/zinc/51/19/47/823511947.db2.gz IPEBPJRMXNWSML-LLVKDONJSA-N 0 0 384.276 4.417 20 5 GIBDRN CSc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1[N+](=O)[O-] ZINC000189865290 823507866 /nfs/dbraw/zinc/50/78/66/823507866.db2.gz USLJHFAYCMXZEL-UHFFFAOYSA-N 0 0 384.457 4.025 20 5 GIBDRN CC(C)CN(C(=O)[C@H]1CC1(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000410661820 823508139 /nfs/dbraw/zinc/50/81/39/823508139.db2.gz BJASAXIMXXTEPS-GFCCVEGCSA-N 0 0 381.404 4.363 20 5 GIBDRN Cc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nn1C(C)C ZINC000410667240 823508344 /nfs/dbraw/zinc/50/83/44/823508344.db2.gz IEQKPWVTXIJPPM-UHFFFAOYSA-N 0 0 385.449 4.081 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000060111252 823508788 /nfs/dbraw/zinc/50/87/88/823508788.db2.gz LPXCMRGTTFLKPI-AWEZNQCLSA-N 0 0 386.448 4.098 20 5 GIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000060110144 823508836 /nfs/dbraw/zinc/50/88/36/823508836.db2.gz AJXAWAQQTPSORE-OAQYLSRUSA-N 0 0 394.402 4.456 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000031669589 820842466 /nfs/dbraw/zinc/84/24/66/820842466.db2.gz MGNBGQDXOWFMEW-UHFFFAOYSA-N 0 0 384.841 4.145 20 5 GIBDRN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1I ZINC000031702042 820848126 /nfs/dbraw/zinc/84/81/26/820848126.db2.gz CWEPKABRBJVMGS-UHFFFAOYSA-N 0 0 396.184 4.069 20 5 GIBDRN CC(C)Oc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000031775550 820858013 /nfs/dbraw/zinc/85/80/13/820858013.db2.gz KOPPFPJXVISADE-UHFFFAOYSA-N 0 0 379.210 4.397 20 5 GIBDRN CCn1c2ccccc2nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031838132 820866781 /nfs/dbraw/zinc/86/67/81/820866781.db2.gz QDIMGCHELBCQQI-UHFFFAOYSA-N 0 0 381.417 4.307 20 5 GIBDRN Cc1nc2ccccc2nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031851562 820868145 /nfs/dbraw/zinc/86/81/45/820868145.db2.gz YKJYQJMKIJGIRC-UHFFFAOYSA-N 0 0 379.401 4.189 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000031875344 820868783 /nfs/dbraw/zinc/86/87/83/820868783.db2.gz QWAYLYDDZMRMTN-UHFFFAOYSA-N 0 0 389.820 4.389 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)COc1ccccc1Cc1ccccc1 ZINC000031929904 820876161 /nfs/dbraw/zinc/87/61/61/820876161.db2.gz NCTCAJXTEKBISI-UHFFFAOYSA-N 0 0 390.439 4.223 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)ccc1Cl ZINC000031929761 820876262 /nfs/dbraw/zinc/87/62/62/820876262.db2.gz FCASDMBNFVICFG-UHFFFAOYSA-N 0 0 383.629 4.283 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000031930857 820876539 /nfs/dbraw/zinc/87/65/39/820876539.db2.gz UJSVQIXNYZVBRD-UHFFFAOYSA-N 0 0 392.411 4.425 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc(C)sc2C)cc1OC ZINC000031951289 820877537 /nfs/dbraw/zinc/87/75/37/820877537.db2.gz KDUASCUIZGBACR-NSHDSACASA-N 0 0 378.450 4.171 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cs1 ZINC000123458372 823511199 /nfs/dbraw/zinc/51/11/99/823511199.db2.gz ZMVMBXSUGZPWRQ-UHFFFAOYSA-N 0 0 388.430 4.441 20 5 GIBDRN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])s1 ZINC000032041955 820890664 /nfs/dbraw/zinc/89/06/64/820890664.db2.gz XBLLBMNLNKKYMW-BQBZGAKWSA-N 0 0 390.305 4.296 20 5 GIBDRN O=C(NCCc1cccc2cccnc21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032076638 820894343 /nfs/dbraw/zinc/89/43/43/820894343.db2.gz DPWIKSPCNVYABK-UHFFFAOYSA-N 0 0 377.425 4.330 20 5 GIBDRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032160721 820899832 /nfs/dbraw/zinc/89/98/32/820899832.db2.gz CLIVKEBTUQEVFH-UHFFFAOYSA-N 0 0 392.415 4.354 20 5 GIBDRN C[C@]1(c2ccccc2)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000177707146 823515110 /nfs/dbraw/zinc/51/51/10/823515110.db2.gz HSVVSFLTVISHQK-HXUWFJFHSA-N 0 0 382.441 4.197 20 5 GIBDRN COc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000032362973 820925741 /nfs/dbraw/zinc/92/57/41/820925741.db2.gz HGTXINJREGZUJA-UHFFFAOYSA-N 0 0 378.384 4.326 20 5 GIBDRN Cc1cc(C(=O)NC(C)(C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000032400412 820934545 /nfs/dbraw/zinc/93/45/45/820934545.db2.gz ZVYNIRBSTOPKAZ-UHFFFAOYSA-N 0 0 377.238 4.331 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000032465563 820950629 /nfs/dbraw/zinc/95/06/29/820950629.db2.gz ROWRDRKNJXCNSQ-UHFFFAOYSA-N 0 0 382.420 4.420 20 5 GIBDRN CC(C)(C)c1nc2cc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000032465352 820950847 /nfs/dbraw/zinc/95/08/47/820950847.db2.gz DSXYWXSHHSYNEB-UHFFFAOYSA-N 0 0 384.461 4.499 20 5 GIBDRN COc1cc(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000410821923 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COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000043126978 821364444 /nfs/dbraw/zinc/36/44/44/821364444.db2.gz XDTLKXPPMQWYFY-UHFFFAOYSA-N 0 0 381.388 4.431 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000043148230 821368369 /nfs/dbraw/zinc/36/83/69/821368369.db2.gz MBSIJAYTFAUXHU-KRWDZBQOSA-N 0 0 385.420 4.289 20 5 GIBDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000180642706 821379364 /nfs/dbraw/zinc/37/93/64/821379364.db2.gz FKNALWYBDRXOJM-UHFFFAOYSA-N 0 0 389.383 4.262 20 5 GIBDRN COc1cc(C(=O)N[C@H](CC2CCC2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000180644809 821380328 /nfs/dbraw/zinc/38/03/28/821380328.db2.gz AHXSVSWYVTTWSV-QGZVFWFLSA-N 0 0 384.432 4.273 20 5 GIBDRN CN(Cc1ccccc1C(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000043647475 821435993 /nfs/dbraw/zinc/43/59/93/821435993.db2.gz RAIYPYUVHJFSOM-UHFFFAOYSA-N 0 0 382.338 4.112 20 5 GIBDRN CC(C)C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000043716901 821446123 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822251175 /nfs/dbraw/zinc/25/11/75/822251175.db2.gz SGQLSMBWVFXMOS-UTKZUKDTSA-N 0 0 390.395 4.189 20 5 GIBDRN C[C@H](C(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cc1F ZINC000182460707 822251724 /nfs/dbraw/zinc/25/17/24/822251724.db2.gz IBXHJDPSLSSDMH-JTQLQIEISA-N 0 0 394.786 4.291 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000182509557 822274422 /nfs/dbraw/zinc/27/44/22/822274422.db2.gz JNPYAWDCQDKKCW-CYBMUJFWSA-N 0 0 387.411 4.461 20 5 GIBDRN O=C1OC(c2cccnc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000178015691 822283075 /nfs/dbraw/zinc/28/30/75/822283075.db2.gz AOGBHVVKWCDYLA-YBEGLDIGSA-N 0 0 377.381 4.063 20 5 GIBDRN Cc1cccc([C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)(C)C)c1 ZINC000178093297 822316127 /nfs/dbraw/zinc/31/61/27/822316127.db2.gz FJYRQBNXYYNHDW-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN CC(C)Oc1ccc([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000182627696 822328614 /nfs/dbraw/zinc/32/86/14/822328614.db2.gz 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O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4s3)CC2)c2ccncc21 ZINC000047996226 822624529 /nfs/dbraw/zinc/62/45/29/822624529.db2.gz BKKICMYPVHPRKP-UHFFFAOYSA-N 0 0 391.456 4.079 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000180155994 822628795 /nfs/dbraw/zinc/62/87/95/822628795.db2.gz DGWPSTMQAUCZFU-UHFFFAOYSA-N 0 0 396.472 4.211 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000180195224 822636961 /nfs/dbraw/zinc/63/69/61/822636961.db2.gz NSDVHOWEWRWWGY-GFCCVEGCSA-N 0 0 384.461 4.463 20 5 GIBDRN Cc1c(NC(=O)NC[C@@H]2CCCC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000455357857 822639687 /nfs/dbraw/zinc/63/96/87/822639687.db2.gz RUDXCKAPDBKSJT-VIFPVBQESA-N 0 0 392.200 4.223 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000180229258 822643941 /nfs/dbraw/zinc/64/39/41/822643941.db2.gz DIQQFQJWZXGNFT-NSHDSACASA-N 0 0 392.481 4.267 20 5 GIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2csc([N+](=O)[O-])c2)C3)cs1 ZINC000180259210 822649802 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0 391.431 4.108 20 5 GIBDRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000180341162 822666595 /nfs/dbraw/zinc/66/65/95/822666595.db2.gz XPWYKVNHULCWJM-JTQLQIEISA-N 0 0 398.221 4.049 20 5 GIBDRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000180343467 822666780 /nfs/dbraw/zinc/66/67/80/822666780.db2.gz RBXBJMZIYWIAGJ-JTQLQIEISA-N 0 0 398.221 4.049 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1Cc2ccccc2C2(CC2)C1 ZINC000184621892 822666953 /nfs/dbraw/zinc/66/69/53/822666953.db2.gz YRKFLNSBFHLOPC-UHFFFAOYSA-N 0 0 391.452 4.406 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1SC ZINC000184689775 822677274 /nfs/dbraw/zinc/67/72/74/822677274.db2.gz AOUBDBIXLUFZDU-UHFFFAOYSA-N 0 0 384.457 4.013 20 5 GIBDRN C[C@@H](NCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412215 822677514 /nfs/dbraw/zinc/67/75/14/822677514.db2.gz LAJOBPHDHQPVRX-NWDGAFQWSA-N 0 0 397.504 4.157 20 5 GIBDRN Cc1cc(C)cc(OCc2noc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000180459364 822686103 /nfs/dbraw/zinc/68/61/03/822686103.db2.gz UYHGYOQYBVMCCZ-HNNXBMFYSA-N 0 0 382.420 4.024 20 5 GIBDRN CCc1c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]c1-c1ccncc1 ZINC000184753714 822686264 /nfs/dbraw/zinc/68/62/64/822686264.db2.gz SVLCRPGQWKFCAT-OAHLLOKOSA-N 0 0 393.447 4.150 20 5 GIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000180462356 822686452 /nfs/dbraw/zinc/68/64/52/822686452.db2.gz ZALLBENDOITRIP-AWEZNQCLSA-N 0 0 383.448 4.301 20 5 GIBDRN Cc1cnc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)s1 ZINC000184756726 822686563 /nfs/dbraw/zinc/68/65/63/822686563.db2.gz RGXSLMIOKZFNRA-LLVKDONJSA-N 0 0 379.507 4.394 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 ZINC000184844371 822699157 /nfs/dbraw/zinc/69/91/57/822699157.db2.gz YVEAEFJHFXTOCJ-LSDHHAIUSA-N 0 0 385.439 4.315 20 5 GIBDRN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1[N+](=O)[O-] ZINC000180551021 822700645 /nfs/dbraw/zinc/70/06/45/822700645.db2.gz GUHNMHOYILKYGT-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180552601 822701091 /nfs/dbraw/zinc/70/10/91/822701091.db2.gz YEAYYDCAGAWMMH-UHFFFAOYSA-N 0 0 383.404 4.037 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1C(F)(F)F ZINC000184857020 822701469 /nfs/dbraw/zinc/70/14/69/822701469.db2.gz ZVQRIXYBMCZXEQ-UHFFFAOYSA-N 0 0 387.745 4.109 20 5 GIBDRN CCN(Cc1ccccc1Cl)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049655982 822704666 /nfs/dbraw/zinc/70/46/66/822704666.db2.gz PYVUWEFSMHTUPL-UHFFFAOYSA-N 0 0 384.823 4.096 20 5 GIBDRN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049682861 822705654 /nfs/dbraw/zinc/70/56/54/822705654.db2.gz ATSRMXFYYJCZEJ-UHFFFAOYSA-N 0 0 389.371 4.051 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1c(F)cc(F)cc1F ZINC000180621010 822714272 /nfs/dbraw/zinc/71/42/72/822714272.db2.gz PMJLRLZXXWJBKU-UHFFFAOYSA-N 0 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C[C@@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccc([N+](=O)[O-])cc1F ZINC000185225073 822751457 /nfs/dbraw/zinc/75/14/57/822751457.db2.gz JVPKPZNCLAQQSV-LLVKDONJSA-N 0 0 382.395 4.240 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000185234331 822752652 /nfs/dbraw/zinc/75/26/52/822752652.db2.gz FKTWREDAHJLHIC-SFHVURJKSA-N 0 0 397.475 4.219 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000185239581 822753432 /nfs/dbraw/zinc/75/34/32/822753432.db2.gz IZDIOJCMRYZGLW-GOSISDBHSA-N 0 0 376.497 4.217 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000051451879 822760650 /nfs/dbraw/zinc/76/06/50/822760650.db2.gz YFMBTELLVGSLQR-IBGZPJMESA-N 0 0 389.411 4.051 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)COc2ccc3ccccc3c2)cc1 ZINC000051451880 822760701 /nfs/dbraw/zinc/76/07/01/822760701.db2.gz ZCLXXFFLILKPCY-HXUWFJFHSA-N 0 0 389.411 4.051 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000185327243 822766513 /nfs/dbraw/zinc/76/65/13/822766513.db2.gz WVXZHMTVIOIKGO-HNNXBMFYSA-N 0 0 381.432 4.077 20 5 GIBDRN Cc1c(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000051584470 822766610 /nfs/dbraw/zinc/76/66/10/822766610.db2.gz ZSAGMMPNHVVROJ-QGZVFWFLSA-N 0 0 387.411 4.255 20 5 GIBDRN Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C2CC2)n1 ZINC000456032469 822768859 /nfs/dbraw/zinc/76/88/59/822768859.db2.gz JVCLLWNXPSDZLZ-UHFFFAOYSA-N 0 0 390.237 4.499 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2ncc(C3CCOCC3)s2)cc1[N+](=O)[O-] ZINC000456098477 822777542 /nfs/dbraw/zinc/77/75/42/822777542.db2.gz AFLYKGXNRCGXRM-UHFFFAOYSA-N 0 0 389.477 4.495 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456107934 822778439 /nfs/dbraw/zinc/77/84/39/822778439.db2.gz NOUSZWPXOBZAJD-NXHRZFHOSA-N 0 0 392.521 4.251 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185396154 822778491 /nfs/dbraw/zinc/77/84/91/822778491.db2.gz XHNNWMNHOCAYNX-QGZVFWFLSA-N 0 0 389.839 4.470 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456125114 822781002 /nfs/dbraw/zinc/78/10/02/822781002.db2.gz LHJACWDMIPJQCX-SCZZXKLOSA-N 0 0 384.276 4.417 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051877792 822781772 /nfs/dbraw/zinc/78/17/72/822781772.db2.gz GGZTZWPVKZOBAN-GFCCVEGCSA-N 0 0 395.444 4.448 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000185426547 822782411 /nfs/dbraw/zinc/78/24/11/822782411.db2.gz DCISUKJOYVAVKM-AEFFLSMTSA-N 0 0 392.459 4.227 20 5 GIBDRN O=C(N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1(c2ccccc2)CCOCC1 ZINC000456145773 822783946 /nfs/dbraw/zinc/78/39/46/822783946.db2.gz PUGLPFIWBGEOOZ-LJQANCHMSA-N 0 0 394.471 4.049 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000174411416 822786520 /nfs/dbraw/zinc/78/65/20/822786520.db2.gz NGMSJYRFIJPKQQ-LIRRHRJNSA-N 0 0 386.473 4.227 20 5 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0 0 377.491 4.231 20 5 GIBDRN O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175202908 822903426 /nfs/dbraw/zinc/90/34/26/822903426.db2.gz HFGVCQDJGDNFSO-UHFFFAOYSA-N 0 0 393.222 4.061 20 5 GIBDRN Cc1noc2nc(C3CC3)cc(-c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)c12 ZINC000569296290 822903476 /nfs/dbraw/zinc/90/34/76/822903476.db2.gz TVSPSRSZQUINQD-UHFFFAOYSA-N 0 0 377.360 4.342 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000054672321 822903867 /nfs/dbraw/zinc/90/38/67/822903867.db2.gz TUXRWWWPQQUGKO-UHFFFAOYSA-N 0 0 376.416 4.355 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[nH]cc1-c1ccc(Cl)s1 ZINC000054675543 822904669 /nfs/dbraw/zinc/90/46/69/822904669.db2.gz BQQJKXDAPSOFTK-UHFFFAOYSA-N 0 0 390.852 4.147 20 5 GIBDRN C[C@](CO)(CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)Cc1ccccc1 ZINC000569369654 822912179 /nfs/dbraw/zinc/91/21/79/822912179.db2.gz BURRCSCWRJYRCM-QZTJIDSGSA-N 0 0 382.382 4.029 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000175242376 822912233 /nfs/dbraw/zinc/91/22/33/822912233.db2.gz LUPPGEHPRYKSEU-UHFFFAOYSA-N 0 0 386.292 4.310 20 5 GIBDRN Cc1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000054913560 822921392 /nfs/dbraw/zinc/92/13/92/822921392.db2.gz LULMLSHTPIJFGD-UHFFFAOYSA-N 0 0 384.461 4.104 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000175278934 822922729 /nfs/dbraw/zinc/92/27/29/822922729.db2.gz IWVDOMYDUKWGHQ-SFHVURJKSA-N 0 0 396.468 4.283 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000186621235 822924996 /nfs/dbraw/zinc/92/49/96/822924996.db2.gz QLMBLQALVCBVMW-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN C[C@H](NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000457855207 822925733 /nfs/dbraw/zinc/92/57/33/822925733.db2.gz RGCHCFVCGJVNHA-LBPRGKRZSA-N 0 0 393.365 4.484 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000186636909 822927536 /nfs/dbraw/zinc/92/75/36/822927536.db2.gz FUUJBBOWJIRPGV-UHFFFAOYSA-N 0 0 389.260 4.460 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1nc(C(F)(F)F)cs1 ZINC000175296663 822927635 /nfs/dbraw/zinc/92/76/35/822927635.db2.gz CGARKNDNBJWKIF-UHFFFAOYSA-N 0 0 375.372 4.101 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(F)cc1 ZINC000569477414 822927941 /nfs/dbraw/zinc/92/79/41/822927941.db2.gz JQFRJONPRUGFLO-UHFFFAOYSA-N 0 0 381.201 4.472 20 5 GIBDRN CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516618 822933183 /nfs/dbraw/zinc/93/31/83/822933183.db2.gz SGUZZHLDNWBEDX-CTNGQTDRSA-N 0 0 394.475 4.173 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457912195 822933481 /nfs/dbraw/zinc/93/34/81/822933481.db2.gz GVGOJRVOMZROBF-MRVPVSSYSA-N 0 0 385.367 4.050 20 5 GIBDRN CCSCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000186697561 822939628 /nfs/dbraw/zinc/93/96/28/822939628.db2.gz VTFNLNSPMDNJDE-UHFFFAOYSA-N 0 0 375.328 4.107 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152624 822941448 /nfs/dbraw/zinc/94/14/48/822941448.db2.gz QJQJEQSYGAMALM-QWRGUYRKSA-N 0 0 395.818 4.074 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)Nc2ccccc2OCC(C)C)c([N+](=O)[O-])c1 ZINC000055154433 822941971 /nfs/dbraw/zinc/94/19/71/822941971.db2.gz CTKIAEKZPBLPFW-CQSZACIVSA-N 0 0 387.436 4.077 20 5 GIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175351513 822942127 /nfs/dbraw/zinc/94/21/27/822942127.db2.gz SNOQYTJEKNDSDG-CQSZACIVSA-N 0 0 376.796 4.058 20 5 GIBDRN COc1ccc(C)cc1[C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000457948367 822942740 /nfs/dbraw/zinc/94/27/40/822942740.db2.gz VNCSEUIFIRAOBJ-NSHDSACASA-N 0 0 382.338 4.422 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000457978286 822947117 /nfs/dbraw/zinc/94/71/17/822947117.db2.gz SOJYZCZSFLGGBK-IRXDYDNUSA-N 0 0 390.505 4.128 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000186739478 822948006 /nfs/dbraw/zinc/94/80/06/822948006.db2.gz WNJMJONVISOUOE-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000458001170 822949207 /nfs/dbraw/zinc/94/92/07/822949207.db2.gz ZGMIXWURVJEJKZ-IDHHARJASA-N 0 0 382.464 4.327 20 5 GIBDRN CC(C)(C)n1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C1CC1 ZINC000055363159 822954595 /nfs/dbraw/zinc/95/45/95/822954595.db2.gz SSCMQZKDGQITED-UHFFFAOYSA-N 0 0 394.378 4.277 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000186787438 822955206 /nfs/dbraw/zinc/95/52/06/822955206.db2.gz JMRYRZZZLCVBCX-AWEZNQCLSA-N 0 0 385.489 4.408 20 5 GIBDRN O=[N+]([O-])c1ccc([C@@H](NCc2ccc(OCC3CC3)nc2)C(F)(F)F)cc1 ZINC000569700436 822956571 /nfs/dbraw/zinc/95/65/71/822956571.db2.gz QXICHWLLMIQLKM-QGZVFWFLSA-N 0 0 381.354 4.172 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000569702469 822956622 /nfs/dbraw/zinc/95/66/22/822956622.db2.gz OYWMZVXBOFSTDU-CQSZACIVSA-N 0 0 393.443 4.071 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000055456563 822965772 /nfs/dbraw/zinc/96/57/72/822965772.db2.gz FZWGACKBJQJNEC-BZNIZROVSA-N 0 0 392.864 4.369 20 5 GIBDRN Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000055466542 822967032 /nfs/dbraw/zinc/96/70/32/822967032.db2.gz MFVBTZCQIJZWID-LBPRGKRZSA-N 0 0 384.823 4.233 20 5 GIBDRN C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000055466891 822967074 /nfs/dbraw/zinc/96/70/74/822967074.db2.gz OUMITMGONHASHE-CYBMUJFWSA-N 0 0 383.379 4.199 20 5 GIBDRN C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055466687 822967091 /nfs/dbraw/zinc/96/70/91/822967091.db2.gz OCLYTIJRJJLLQI-AWEZNQCLSA-N 0 0 399.447 4.362 20 5 GIBDRN C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000055467279 822967295 /nfs/dbraw/zinc/96/72/95/822967295.db2.gz CVXDFZVXPMNYPW-OAHLLOKOSA-N 0 0 379.416 4.450 20 5 GIBDRN C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000055467589 822967336 /nfs/dbraw/zinc/96/73/36/822967336.db2.gz QXQWLJCOEQBZQU-OAHLLOKOSA-N 0 0 377.400 4.060 20 5 GIBDRN COc1ccccc1[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000186865030 822970629 /nfs/dbraw/zinc/97/06/29/822970629.db2.gz HLADAAVALBUVGO-GOSISDBHSA-N 0 0 398.440 4.438 20 5 GIBDRN CC(C)(NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000175450083 822971843 /nfs/dbraw/zinc/97/18/43/822971843.db2.gz SQUSLMJTFZYDMS-FXAWDEMLSA-N 0 0 397.475 4.297 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC000055515228 822973160 /nfs/dbraw/zinc/97/31/60/822973160.db2.gz WFIDQDKJWSMBGT-LJQANCHMSA-N 0 0 394.475 4.203 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)c1[N+](=O)[O-] ZINC000186878159 822973359 /nfs/dbraw/zinc/97/33/59/822973359.db2.gz MBAWLSDYPJXQPP-UHFFFAOYSA-N 0 0 396.350 4.464 20 5 GIBDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000458259902 822974606 /nfs/dbraw/zinc/97/46/06/822974606.db2.gz BKFQKWKRVAZNEY-INIZCTEOSA-N 0 0 399.466 4.040 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000175462975 822974972 /nfs/dbraw/zinc/97/49/72/822974972.db2.gz APVFYGBROAWSCU-INIZCTEOSA-N 0 0 389.496 4.345 20 5 GIBDRN CCc1nc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)sc1C(C)(C)C ZINC000458284116 822978150 /nfs/dbraw/zinc/97/81/50/822978150.db2.gz YGCODBJFBFFMMU-UHFFFAOYSA-N 0 0 393.465 4.181 20 5 GIBDRN O=C(Nc1ccccc1OC(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175507879 822986006 /nfs/dbraw/zinc/98/60/06/822986006.db2.gz BXHYHAQGYKBJEJ-UHFFFAOYSA-N 0 0 387.136 4.211 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)c([N+](=O)[O-])cc1OC ZINC000055639838 822990864 /nfs/dbraw/zinc/99/08/64/822990864.db2.gz BMDMLROXHBNIKU-ZDUSSCGKSA-N 0 0 388.420 4.432 20 5 GIBDRN CN1CC[C@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 ZINC000569978818 822992518 /nfs/dbraw/zinc/99/25/18/822992518.db2.gz KUMCBKJMBUGOAQ-INIZCTEOSA-N 0 0 382.445 4.242 20 5 GIBDRN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175555622 822996545 /nfs/dbraw/zinc/99/65/45/822996545.db2.gz OFBJAMNOHSASLW-UHFFFAOYSA-N 0 0 396.266 4.335 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)Cc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000055680381 822997586 /nfs/dbraw/zinc/99/75/86/822997586.db2.gz QRDTUOWXJUHYBO-UHFFFAOYSA-N 0 0 393.443 4.033 20 5 GIBDRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175560057 822997613 /nfs/dbraw/zinc/99/76/13/822997613.db2.gz LVPBISIDYPQZSN-UHFFFAOYSA-N 0 0 387.823 4.127 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000055689012 822999743 /nfs/dbraw/zinc/99/97/43/822999743.db2.gz PDCHKIGENGGRIN-UHFFFAOYSA-N 0 0 395.868 4.480 20 5 GIBDRN Cc1sc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000187046485 823003409 /nfs/dbraw/zinc/00/34/09/823003409.db2.gz OOBVRJZZDSFLKM-ZUZCIYMTSA-N 0 0 380.853 4.220 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C2CC2)CC1 ZINC000570091998 823005106 /nfs/dbraw/zinc/00/51/06/823005106.db2.gz CECXTNGHIQFVFO-UHFFFAOYSA-N 0 0 381.270 4.318 20 5 GIBDRN CC[C@@]1(CO)CCCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000187097043 823010093 /nfs/dbraw/zinc/01/00/93/823010093.db2.gz CFEAZPJBDDCRAO-HXUWFJFHSA-N 0 0 394.537 4.358 20 5 GIBDRN COc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000175643115 823011600 /nfs/dbraw/zinc/01/16/00/823011600.db2.gz HZSAUOOLCOFFES-UHFFFAOYSA-N 0 0 380.198 4.318 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1F ZINC000175662887 823015176 /nfs/dbraw/zinc/01/51/76/823015176.db2.gz NCWYCVFTFBOABK-UHFFFAOYSA-N 0 0 383.173 4.147 20 5 GIBDRN O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175691409 823021554 /nfs/dbraw/zinc/02/15/54/823021554.db2.gz KBFFRPUOLMRUTB-UHFFFAOYSA-N 0 0 381.766 4.379 20 5 GIBDRN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175695180 823022172 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393.896 4.003 20 5 GIBDRN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055781338 823043776 /nfs/dbraw/zinc/04/37/76/823043776.db2.gz SFJLOIUNFIMEPL-FQEVSTJZSA-N 0 0 376.416 4.066 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000055788849 823044899 /nfs/dbraw/zinc/04/48/99/823044899.db2.gz TXMLMNQERPXZEY-UHFFFAOYSA-N 0 0 397.818 4.255 20 5 GIBDRN CCCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123797329 823541792 /nfs/dbraw/zinc/54/17/92/823541792.db2.gz KOBUNRNUMVVBJJ-JTQLQIEISA-N 0 0 385.251 4.249 20 5 GIBDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411110751 823548261 /nfs/dbraw/zinc/54/82/61/823548261.db2.gz IJKNTFINTIZQGJ-LLVKDONJSA-N 0 0 384.329 4.456 20 5 GIBDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411110702 823548270 /nfs/dbraw/zinc/54/82/70/823548270.db2.gz IGHXVXQTZZKSTE-LLVKDONJSA-N 0 0 384.329 4.456 20 5 GIBDRN CS(=O)(=O)c1cc(SCc2cc(Cl)ccc2F)ccc1[N+](=O)[O-] ZINC000190191074 823548756 /nfs/dbraw/zinc/54/87/56/823548756.db2.gz SAWKXZONFPMGNX-UHFFFAOYSA-N 0 0 375.830 4.083 20 5 GIBDRN COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000411113496 823548797 /nfs/dbraw/zinc/54/87/97/823548797.db2.gz VRZLUDIFMCOXGI-NVXWUHKLSA-N 0 0 384.432 4.020 20 5 GIBDRN CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C(F)(F)F ZINC000190197478 823549604 /nfs/dbraw/zinc/54/96/04/823549604.db2.gz UTBQPZBMWUYWCG-ZDUSSCGKSA-N 0 0 384.358 4.055 20 5 GIBDRN Cc1c(Br)cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000460969480 823552849 /nfs/dbraw/zinc/55/28/49/823552849.db2.gz NEDSXJSFKAZHLO-OAHLLOKOSA-N 0 0 379.254 4.070 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000123942561 823553815 /nfs/dbraw/zinc/55/38/15/823553815.db2.gz ARVITMXXYCCALN-LEWJYISDSA-N 0 0 382.460 4.032 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1F ZINC000411190228 823555560 /nfs/dbraw/zinc/55/55/60/823555560.db2.gz 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CC(C)Oc1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000411239846 823559853 /nfs/dbraw/zinc/55/98/53/823559853.db2.gz GLSLRAYKQVFHLX-UHFFFAOYSA-N 0 0 384.436 4.020 20 5 GIBDRN CCSc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000461020733 823560286 /nfs/dbraw/zinc/56/02/86/823560286.db2.gz CRNBTBQCPAMLFH-UHFFFAOYSA-N 0 0 394.836 4.399 20 5 GIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1 ZINC000411251604 823560317 /nfs/dbraw/zinc/56/03/17/823560317.db2.gz IKMKMWPJBIYMPD-UHFFFAOYSA-N 0 0 399.447 4.116 20 5 GIBDRN Cc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1Br ZINC000124018838 823560490 /nfs/dbraw/zinc/56/04/90/823560490.db2.gz FNKSULZAAJTDRL-UHFFFAOYSA-N 0 0 390.237 4.256 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000411268939 823561093 /nfs/dbraw/zinc/56/10/93/823561093.db2.gz VCQGMOIQUVBABE-UHFFFAOYSA-N 0 0 384.388 4.411 20 5 GIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2C(F)(F)F)n1 ZINC000060854942 823562543 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Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CCO2)ccc1F ZINC000413207794 823728043 /nfs/dbraw/zinc/72/80/43/823728043.db2.gz CVQKAFDFXJKMEL-OAHLLOKOSA-N 0 0 385.317 4.034 20 5 GIBDRN COc1ccc(/C=C\c2ccc(Oc3nccc(C(N)=O)c3[N+](=O)[O-])cc2)cc1 ZINC000461867318 823728707 /nfs/dbraw/zinc/72/87/07/823728707.db2.gz PUFRHFOZEPBOKD-IHWYPQMZSA-N 0 0 391.383 4.060 20 5 GIBDRN Cc1ccc(OC2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 ZINC000574447206 823733072 /nfs/dbraw/zinc/73/30/72/823733072.db2.gz OUXIHOSQGAFPJB-UHFFFAOYSA-N 0 0 397.475 4.089 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000574447215 823733258 /nfs/dbraw/zinc/73/32/58/823733258.db2.gz VKEIXZQOYJUBKN-CQSZACIVSA-N 0 0 379.869 4.306 20 5 GIBDRN C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000574448221 823733831 /nfs/dbraw/zinc/73/38/31/823733831.db2.gz ZHLFBMHSHCJHQL-UKRRQHHQSA-N 0 0 395.381 4.376 20 5 GIBDRN CC[C@@H]1CCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461879063 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VJFOWJQCZXMSIZ-GFCCVEGCSA-N 0 0 381.392 4.085 20 5 GIBDRN Cc1cc(NCc2ccc(C[S@](C)=O)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461884034 823737597 /nfs/dbraw/zinc/73/75/97/823737597.db2.gz LFDPRTCZCYHKBP-SANMLTNESA-N 0 0 386.395 4.413 20 5 GIBDRN CCCC(CCC)SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000064049084 823740608 /nfs/dbraw/zinc/74/06/08/823740608.db2.gz YJSUIXPUCHMZDC-UHFFFAOYSA-N 0 0 382.482 4.397 20 5 GIBDRN Cc1c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cnn1-c1ccccc1F ZINC000163791632 823749181 /nfs/dbraw/zinc/74/91/81/823749181.db2.gz FGIKZLGLXRKJPT-UHFFFAOYSA-N 0 0 394.406 4.033 20 5 GIBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000413305494 823749283 /nfs/dbraw/zinc/74/92/83/823749283.db2.gz RTSKOBDZDYDEIU-ZUZCIYMTSA-N 0 0 385.317 4.114 20 5 GIBDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163808494 823751009 /nfs/dbraw/zinc/75/10/09/823751009.db2.gz NCVUNQIDOZIXLG-UHFFFAOYSA-N 0 0 395.390 4.123 20 5 GIBDRN Cc1oc(-c2ccsc2)nc1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163877224 823756145 /nfs/dbraw/zinc/75/61/45/823756145.db2.gz FKRWZWZAIFNOJZ-UHFFFAOYSA-N 0 0 397.456 4.353 20 5 GIBDRN Cn1ccnc1[C@H](NCC1(Cc2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000574539924 823759491 /nfs/dbraw/zinc/75/94/91/823759491.db2.gz MSLVJYILVYIJGI-OAQYLSRUSA-N 0 0 390.487 4.420 20 5 GIBDRN C[C@H](CC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000461935500 823764471 /nfs/dbraw/zinc/76/44/71/823764471.db2.gz WMYMCAZAAAYZTR-LLVKDONJSA-N 0 0 395.228 4.306 20 5 GIBDRN CCOc1cc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000413392870 823766785 /nfs/dbraw/zinc/76/67/85/823766785.db2.gz JIFUYZYUWGECNA-MRXNPFEDSA-N 0 0 388.386 4.179 20 5 GIBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000126021063 823767985 /nfs/dbraw/zinc/76/79/85/823767985.db2.gz NFMJUTLBQMVQBR-CYBMUJFWSA-N 0 0 383.429 4.219 20 5 GIBDRN Cc1cc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949948 823769362 /nfs/dbraw/zinc/76/93/62/823769362.db2.gz SSYWJQYHTUHFDM-GFCCVEGCSA-N 0 0 387.402 4.053 20 5 GIBDRN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCc1cccc([N+](=O)[O-])c1 ZINC000126029141 823769798 /nfs/dbraw/zinc/76/97/98/823769798.db2.gz LHUSOPMECJEGQL-UHFFFAOYSA-N 0 0 399.834 4.195 20 5 GIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000413404173 823769828 /nfs/dbraw/zinc/76/98/28/823769828.db2.gz WYCAHSDKYIUJHK-INIZCTEOSA-N 0 0 395.381 4.328 20 5 GIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000164090492 823776964 /nfs/dbraw/zinc/77/69/64/823776964.db2.gz JLLHWRZGVZEEAU-INIZCTEOSA-N 0 0 397.475 4.399 20 5 GIBDRN Cc1cc(N2CCN([C@H](C)c3cccnc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461973790 823778154 /nfs/dbraw/zinc/77/81/54/823778154.db2.gz RJYVFIKHGKYZME-CQSZACIVSA-N 0 0 394.397 4.200 20 5 GIBDRN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000126075120 823780725 /nfs/dbraw/zinc/78/07/25/823780725.db2.gz DGAVVYIPVMEKRS-INIZCTEOSA-N 0 0 389.839 4.090 20 5 GIBDRN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1-c1nccs1 ZINC000126075964 823780969 /nfs/dbraw/zinc/78/09/69/823780969.db2.gz MVRDXBWDYAOUNN-UHFFFAOYSA-N 0 0 396.472 4.264 20 5 GIBDRN Cc1ccc([C@H]2CSCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000413455801 823781065 /nfs/dbraw/zinc/78/10/65/823781065.db2.gz JNOVOXLRLFHROF-XUVXKRRUSA-N 0 0 382.485 4.323 20 5 GIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000191818723 823781067 /nfs/dbraw/zinc/78/10/67/823781067.db2.gz ZTVFMIUPJIOBDU-JTQLQIEISA-N 0 0 382.775 4.053 20 5 GIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413482216 823785522 /nfs/dbraw/zinc/78/55/22/823785522.db2.gz YLQYQNODCHVHNZ-BQJUDKOJSA-N 0 0 396.443 4.019 20 5 GIBDRN C[C@H]1SCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000413482838 823786146 /nfs/dbraw/zinc/78/61/46/823786146.db2.gz ZPHFKJXIQXBWTJ-YGBSJELFSA-N 0 0 382.485 4.404 20 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ZINC000064394296 823809720 /nfs/dbraw/zinc/80/97/20/823809720.db2.gz HGFLYUJJOAXKOX-UHFFFAOYSA-N 0 0 381.413 4.309 20 5 GIBDRN COc1cc(C(=O)Nc2c(SC)cnn2-c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191922941 823812351 /nfs/dbraw/zinc/81/23/51/823812351.db2.gz SHRQDNABHSZIPA-UHFFFAOYSA-N 0 0 398.444 4.072 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(F)cc2OC(C)(C)C)c1F ZINC000413666837 823814053 /nfs/dbraw/zinc/81/40/53/823814053.db2.gz HSBZVDDQAOMAHS-UHFFFAOYSA-N 0 0 394.374 4.240 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000064421428 823815951 /nfs/dbraw/zinc/81/59/51/823815951.db2.gz ZDEGOXBZDVNXPT-MEBBXXQBSA-N 0 0 395.242 4.473 20 5 GIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191943844 823819617 /nfs/dbraw/zinc/81/96/17/823819617.db2.gz MOIFRWRBFIUFKK-UHFFFAOYSA-N 0 0 392.337 4.066 20 5 GIBDRN COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)c1 ZINC000462094669 823826524 /nfs/dbraw/zinc/82/65/24/823826524.db2.gz 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COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007689171 206221475 /nfs/dbraw/zinc/22/14/75/206221475.db2.gz ZZWPDVZKMCUZEC-UHFFFAOYSA-N 0 0 398.337 4.200 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4C[C@H]4[C@@H](F)C3)c(Cl)nn2)c1 ZINC001164432150 718966096 /nfs/dbraw/zinc/96/60/96/718966096.db2.gz VRACCTWQRKBTJA-QKCSRTOESA-N 0 0 398.772 4.044 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000055789257 823045119 /nfs/dbraw/zinc/04/51/19/823045119.db2.gz ZBMLWKQSDGAQBA-UHFFFAOYSA-N 0 0 397.818 4.255 20 5 GIBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000055796890 823045427 /nfs/dbraw/zinc/04/54/27/823045427.db2.gz PAKPJFYNRQVQFI-UHFFFAOYSA-N 0 0 381.457 4.194 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000055804059 823046299 /nfs/dbraw/zinc/04/62/99/823046299.db2.gz NJPFQFSXKIOTLZ-UHFFFAOYSA-N 0 0 389.839 4.195 20 5 GIBDRN CN(Cc1cc(Cl)cc(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000570504708 823047451 /nfs/dbraw/zinc/04/74/51/823047451.db2.gz NSWZXJXERDJDMG-UHFFFAOYSA-N 0 0 379.203 4.187 20 5 GIBDRN CN(C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000055825584 823049317 /nfs/dbraw/zinc/04/93/17/823049317.db2.gz UFTMSSBJWXCZPI-UHFFFAOYSA-N 0 0 399.422 4.391 20 5 GIBDRN CCN(CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1cccc(C)c1 ZINC000570553837 823053546 /nfs/dbraw/zinc/05/35/46/823053546.db2.gz QLJQNQDMGLMCAY-UHFFFAOYSA-N 0 0 395.381 4.178 20 5 GIBDRN O=C(NCC1(C(F)(F)F)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000570553960 823053652 /nfs/dbraw/zinc/05/36/52/823053652.db2.gz ICDFTIYDXZUDAC-UHFFFAOYSA-N 0 0 394.349 4.246 20 5 GIBDRN CC[C@H](CN(CC)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000187415812 823059274 /nfs/dbraw/zinc/05/92/74/823059274.db2.gz ISFCZSRRFRVYAM-OAHLLOKOSA-N 0 0 393.443 4.092 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](c2ccccc2)C1 ZINC000120765874 823059880 /nfs/dbraw/zinc/05/98/80/823059880.db2.gz IWPDLOYKMKJNOD-ZDUSSCGKSA-N 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ZINC000570706184 823074202 /nfs/dbraw/zinc/07/42/02/823074202.db2.gz QEQGKPMXICAGLT-UHFFFAOYSA-N 0 0 388.367 4.178 20 5 GIBDRN COc1ccc([C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000187497051 823075143 /nfs/dbraw/zinc/07/51/43/823075143.db2.gz PKNRWYXDZGAXRF-INIZCTEOSA-N 0 0 397.353 4.048 20 5 GIBDRN CCCOc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000055990706 823075643 /nfs/dbraw/zinc/07/56/43/823075643.db2.gz SDPONUAVSNSLBR-UHFFFAOYSA-N 0 0 380.404 4.130 20 5 GIBDRN COc1cccc(-c2noc([C@@H](C)NCc3c(Cl)cccc3[N+](=O)[O-])n2)c1 ZINC000120868889 823079898 /nfs/dbraw/zinc/07/98/98/823079898.db2.gz IRWPHVSPHUVWOK-LLVKDONJSA-N 0 0 388.811 4.158 20 5 GIBDRN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175961267 823083051 /nfs/dbraw/zinc/08/30/51/823083051.db2.gz NUTPJBRFWWCCFN-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056147826 823088401 /nfs/dbraw/zinc/08/84/01/823088401.db2.gz 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C[C@H](Nc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056188729 823099772 /nfs/dbraw/zinc/09/97/72/823099772.db2.gz MXDYAXWHOJQJRQ-HNNXBMFYSA-N 0 0 395.415 4.344 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000056193736 823100237 /nfs/dbraw/zinc/10/02/37/823100237.db2.gz RYPCPCZYBHIZOZ-WBVHZDCISA-N 0 0 378.494 4.127 20 5 GIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458893759 823103031 /nfs/dbraw/zinc/10/30/31/823103031.db2.gz XVTGZZDFXBAQEJ-KKSFZXQISA-N 0 0 385.464 4.029 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(OCC(C)C)c1 ZINC000056197726 823101165 /nfs/dbraw/zinc/10/11/65/823101165.db2.gz PIYRCCVEMNABEH-AWEZNQCLSA-N 0 0 387.436 4.077 20 5 GIBDRN CCNc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000570882382 823101538 /nfs/dbraw/zinc/10/15/38/823101538.db2.gz BPOBGAQGYBOTEN-IFXJQAMLSA-N 0 0 385.489 4.345 20 5 GIBDRN Cc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1[N+](=O)[O-] ZINC000056212067 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ZINC000121155754 823129243 /nfs/dbraw/zinc/12/92/43/823129243.db2.gz FBSOZTTXSRGMAW-FQEVSTJZSA-N 0 0 399.809 4.231 20 5 GIBDRN CC(C)(NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1[N+](=O)[O-] ZINC000459122950 823131086 /nfs/dbraw/zinc/13/10/86/823131086.db2.gz SZZGDCZIPCDEQX-CYBMUJFWSA-N 0 0 393.365 4.234 20 5 GIBDRN O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000121172564 823131914 /nfs/dbraw/zinc/13/19/14/823131914.db2.gz GJQGXPNEMJVQDE-UHFFFAOYSA-N 0 0 376.294 4.256 20 5 GIBDRN O=C(CCCc1ccc(Cl)cc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571121235 823135521 /nfs/dbraw/zinc/13/55/21/823135521.db2.gz FPLZHPKNXAXCLX-UHFFFAOYSA-N 0 0 385.851 4.411 20 5 GIBDRN CN1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc21 ZINC000459133328 823132920 /nfs/dbraw/zinc/13/29/20/823132920.db2.gz LLWIMHWEFFEBRB-FQEVSTJZSA-N 0 0 394.475 4.240 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NCCC(C)(C)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000571118258 823134869 /nfs/dbraw/zinc/13/48/69/823134869.db2.gz 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CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000121256695 823149262 /nfs/dbraw/zinc/14/92/62/823149262.db2.gz BHNYJTOSJHQENN-SJLPKXTDSA-N 0 0 398.459 4.143 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000176193475 823149688 /nfs/dbraw/zinc/14/96/88/823149688.db2.gz PDEZPRUVVQCNGN-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176195218 823150016 /nfs/dbraw/zinc/15/00/16/823150016.db2.gz BWOSXDQGAQJADM-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN COCC[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000571221275 823150934 /nfs/dbraw/zinc/15/09/34/823150934.db2.gz DMVOWWGUTXWGHW-AWEZNQCLSA-N 0 0 398.246 4.190 20 5 GIBDRN C[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC000121267916 823151727 /nfs/dbraw/zinc/15/17/27/823151727.db2.gz JTQUROUVHSFIIC-LBPRGKRZSA-N 0 0 389.249 4.046 20 5 GIBDRN Cc1c(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000571239607 823153665 /nfs/dbraw/zinc/15/36/65/823153665.db2.gz FVOKBUGMXOLRSG-LLVKDONJSA-N 0 0 396.163 4.128 20 5 GIBDRN CCOc1ccccc1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000121280539 823153923 /nfs/dbraw/zinc/15/39/23/823153923.db2.gz JODPVSXRNPIJMO-UHFFFAOYSA-N 0 0 386.451 4.216 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1OC ZINC000121282180 823154279 /nfs/dbraw/zinc/15/42/79/823154279.db2.gz VJCRLKIBYZPPQI-AEFFLSMTSA-N 0 0 398.459 4.143 20 5 GIBDRN O=C(NC[C@@H]1CCCC1(F)F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000571276131 823159655 /nfs/dbraw/zinc/15/96/55/823159655.db2.gz IEZNHISTUFGCOP-JTQLQIEISA-N 0 0 392.352 4.125 20 5 GIBDRN CC(C)(C)c1cn2c(n1)CC[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289588 823160625 /nfs/dbraw/zinc/16/06/25/823160625.db2.gz DVJPDTPMXNLBKS-GUYCJALGSA-N 0 0 396.413 4.297 20 5 GIBDRN CC(C)(C)c1cn2c(n1)CC[C@H](N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289590 823160651 /nfs/dbraw/zinc/16/06/51/823160651.db2.gz DVJPDTPMXNLBKS-SUMWQHHRSA-N 0 0 396.413 4.297 20 5 GIBDRN COc1cc(C(=O)N(C)C)ccc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000571327757 823165748 /nfs/dbraw/zinc/16/57/48/823165748.db2.gz FMBBTSZCLDFQPD-UHFFFAOYSA-N 0 0 395.415 4.177 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000121345866 823167276 /nfs/dbraw/zinc/16/72/76/823167276.db2.gz CCWQEULMXXSJPJ-FQEVSTJZSA-N 0 0 397.431 4.127 20 5 GIBDRN CN1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121354109 823169223 /nfs/dbraw/zinc/16/92/23/823169223.db2.gz QHMYVUWRHDTPHF-WBVHZDCISA-N 0 0 394.258 4.077 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)NCc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000187999391 823169444 /nfs/dbraw/zinc/16/94/44/823169444.db2.gz SFCYAXYPRVMKQW-UHFFFAOYSA-N 0 0 394.431 4.134 20 5 GIBDRN CC(=O)c1ccc(OCC(=O)N(Cc2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121360036 823170070 /nfs/dbraw/zinc/17/00/70/823170070.db2.gz VGTSVLPMEBPXFR-UHFFFAOYSA-N 0 0 394.383 4.003 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(OCc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571357814 823170412 /nfs/dbraw/zinc/17/04/12/823170412.db2.gz YHBKTOYNWWWYSE-HNNXBMFYSA-N 0 0 377.400 4.311 20 5 GIBDRN C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1-c1ccccc1 ZINC000571360314 823170770 /nfs/dbraw/zinc/17/07/70/823170770.db2.gz VQKPJZYKOMNSGP-ZDUSSCGKSA-N 0 0 388.374 4.233 20 5 GIBDRN CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000571363044 823171271 /nfs/dbraw/zinc/17/12/71/823171271.db2.gz JOEJMNKASCCOLX-QFSNBGPKSA-N 0 0 378.388 4.029 20 5 GIBDRN CC(C)(C)c1cnc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000188017409 823172439 /nfs/dbraw/zinc/17/24/39/823172439.db2.gz NNDGPNHUHSTKQG-UHFFFAOYSA-N 0 0 385.342 4.470 20 5 GIBDRN CC(C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000176303635 823176694 /nfs/dbraw/zinc/17/66/94/823176694.db2.gz MRMWNDMPJYLHNS-IBGZPJMESA-N 0 0 380.448 4.307 20 5 GIBDRN CC1CCN(Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC000176310325 823179086 /nfs/dbraw/zinc/17/90/86/823179086.db2.gz YBQZWHQRZXKAQL-UHFFFAOYSA-N 0 0 394.884 4.189 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000188092178 823185096 /nfs/dbraw/zinc/18/50/96/823185096.db2.gz ONUDLVBEPGAQMH-UHFFFAOYSA-N 0 0 396.365 4.373 20 5 GIBDRN CSc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000188132927 823191435 /nfs/dbraw/zinc/19/14/35/823191435.db2.gz YCUFBQZKZLCGHV-OAHLLOKOSA-N 0 0 392.864 4.184 20 5 GIBDRN CSc1cccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000188132905 823191498 /nfs/dbraw/zinc/19/14/98/823191498.db2.gz YCUFBQZKZLCGHV-HNNXBMFYSA-N 0 0 392.864 4.184 20 5 GIBDRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000121497236 823194835 /nfs/dbraw/zinc/19/48/35/823194835.db2.gz IDVDWKWDCBVKIY-AWEZNQCLSA-N 0 0 399.325 4.120 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000176394128 823197809 /nfs/dbraw/zinc/19/78/09/823197809.db2.gz IUFQYEZIQUCTQW-HZPDHXFCSA-N 0 0 393.447 4.210 20 5 GIBDRN CN(CCc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000056714831 823198046 /nfs/dbraw/zinc/19/80/46/823198046.db2.gz DFBHHNHRTNIROY-UHFFFAOYSA-N 0 0 383.326 4.042 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc([N+](=O)[O-])c1 ZINC000121540995 823202684 /nfs/dbraw/zinc/20/26/84/823202684.db2.gz XZFBEBSLXMFYTD-CQSZACIVSA-N 0 0 395.459 4.336 20 5 GIBDRN Cc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)sn1 ZINC000176433525 823206753 /nfs/dbraw/zinc/20/67/53/823206753.db2.gz CKQNNBOABJFTLM-UHFFFAOYSA-N 0 0 398.231 4.105 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000571623212 823210884 /nfs/dbraw/zinc/21/08/84/823210884.db2.gz QQUMTCWTNQIFGZ-GOSISDBHSA-N 0 0 378.400 4.167 20 5 GIBDRN CCc1n[nH]c(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000188268399 823211454 /nfs/dbraw/zinc/21/14/54/823211454.db2.gz XEKPFWWLXMWOLT-SNVBAGLBSA-N 0 0 396.369 4.265 20 5 GIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000571644410 823213949 /nfs/dbraw/zinc/21/39/49/823213949.db2.gz ROBRCEPJZWVGFS-LBPRGKRZSA-N 0 0 394.305 4.020 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccccc1NC(=O)c1ccco1 ZINC000121625651 823218327 /nfs/dbraw/zinc/21/83/27/823218327.db2.gz ONTCSTCVCKAEJC-UHFFFAOYSA-N 0 0 394.383 4.116 20 5 GIBDRN O=C(NC1CCC2(CCCCC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188341601 823222129 /nfs/dbraw/zinc/22/21/29/823222129.db2.gz GQGGPMOVEVCPQA-UHFFFAOYSA-N 0 0 383.448 4.059 20 5 GIBDRN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cn(C)c2ccccc12 ZINC000571719346 823224166 /nfs/dbraw/zinc/22/41/66/823224166.db2.gz ZBGHMHHXALQZQJ-CQSZACIVSA-N 0 0 390.443 4.030 20 5 GIBDRN Cc1c(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000571724743 823225548 /nfs/dbraw/zinc/22/55/48/823225548.db2.gz OBZYOPDDZVCULB-AWEZNQCLSA-N 0 0 382.258 4.318 20 5 GIBDRN CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176537257 823231941 /nfs/dbraw/zinc/23/19/41/823231941.db2.gz ULCLBKSENGAOKF-VXGBXAGGSA-N 0 0 387.299 4.151 20 5 GIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176544252 823233557 /nfs/dbraw/zinc/23/35/57/823233557.db2.gz LWUJLYLHBCOJLE-TZMCWYRMSA-N 0 0 387.299 4.151 20 5 GIBDRN COc1cc(CN2CC(C)(CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459641534 823235887 /nfs/dbraw/zinc/23/58/87/823235887.db2.gz RDCGRFSJHOKSOL-UHFFFAOYSA-N 0 0 398.328 4.022 20 5 GIBDRN Cc1cc(NC(=O)c2sc(CC3CC3)nc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188412009 823236542 /nfs/dbraw/zinc/23/65/42/823236542.db2.gz MKYVUMDXSAUWEN-UHFFFAOYSA-N 0 0 397.460 4.059 20 5 GIBDRN CC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C ZINC000409518450 823239492 /nfs/dbraw/zinc/23/94/92/823239492.db2.gz DEHOWBXFPPFQFK-UHFFFAOYSA-N 0 0 383.223 4.182 20 5 GIBDRN COC(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000121746225 823241729 /nfs/dbraw/zinc/24/17/29/823241729.db2.gz ODGFLLKBEKEWIG-UHFFFAOYSA-N 0 0 383.282 4.044 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000121747306 823242083 /nfs/dbraw/zinc/24/20/83/823242083.db2.gz LJVBLSFWPBMIGD-FUHWJXTLSA-N 0 0 390.443 4.107 20 5 GIBDRN O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121756655 823244146 /nfs/dbraw/zinc/24/41/46/823244146.db2.gz FNAOGWFMNKSEQK-UHFFFAOYSA-N 0 0 375.356 4.173 20 5 GIBDRN COc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1Cl ZINC000459695098 823252168 /nfs/dbraw/zinc/25/21/68/823252168.db2.gz GPXHWYOXLFGOGO-LLVKDONJSA-N 0 0 393.827 4.457 20 5 GIBDRN Cc1cc(C)n(-c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cn2)n1 ZINC000057139244 823253967 /nfs/dbraw/zinc/25/39/67/823253967.db2.gz WZCGTZOVSNOFDG-UHFFFAOYSA-N 0 0 391.353 4.423 20 5 GIBDRN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000057147298 823255127 /nfs/dbraw/zinc/25/51/27/823255127.db2.gz ZMBWWQZQCIHXJV-AWEZNQCLSA-N 0 0 377.784 4.057 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000121819123 823257514 /nfs/dbraw/zinc/25/75/14/823257514.db2.gz AWHKXTLSHWVKGT-DLBZAZTESA-N 0 0 390.443 4.107 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001934395 817377203 /nfs/dbraw/zinc/37/72/03/817377203.db2.gz KSAMGKOFULHZSN-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000001972597 817378349 /nfs/dbraw/zinc/37/83/49/817378349.db2.gz IFUNFSWELOBHBU-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000001982092 817379245 /nfs/dbraw/zinc/37/92/45/817379245.db2.gz GHPUZUHZRFCESP-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001984527 817379554 /nfs/dbraw/zinc/37/95/54/817379554.db2.gz IUALJXQYBOOZBA-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN CCCOc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000002302756 817383391 /nfs/dbraw/zinc/38/33/91/817383391.db2.gz ULPBTYBJCGXARQ-MHWRWJLKSA-N 0 0 386.791 4.382 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000121833294 823259576 /nfs/dbraw/zinc/25/95/76/823259576.db2.gz VMBDWHSROOKGPP-KBPBESRZSA-N 0 0 391.221 4.108 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000003444096 817456647 /nfs/dbraw/zinc/45/66/47/817456647.db2.gz UJMWNPFAWMWXLQ-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000003505171 817472460 /nfs/dbraw/zinc/47/24/60/817472460.db2.gz XKJAHKKPOPAZIH-UHFFFAOYSA-N 0 0 376.796 4.041 20 5 GIBDRN Cc1noc([C@H](OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000176691500 823268999 /nfs/dbraw/zinc/26/89/99/823268999.db2.gz CIQWWWBSIPGJEP-YVEFUNNKSA-N 0 0 399.428 4.100 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1 ZINC000003530692 817479892 /nfs/dbraw/zinc/47/98/92/817479892.db2.gz KYLXODSEJKDVTP-GOSISDBHSA-N 0 0 380.356 4.033 20 5 GIBDRN C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188588763 823267803 /nfs/dbraw/zinc/26/78/03/823267803.db2.gz RUCNSMJIJBWBLO-MRXNPFEDSA-N 0 0 391.475 4.157 20 5 GIBDRN CCCn1c2ccccc2nc1SCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004221182 817510677 /nfs/dbraw/zinc/51/06/77/817510677.db2.gz WRVDYZFVRIFKHR-UHFFFAOYSA-N 0 0 385.445 4.190 20 5 GIBDRN Cc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572004300 823268189 /nfs/dbraw/zinc/26/81/89/823268189.db2.gz YQJNRQLZQNCGJN-UHFFFAOYSA-N 0 0 383.448 4.199 20 5 GIBDRN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc2ccccc2c2cccnc12 ZINC000176687842 823268460 /nfs/dbraw/zinc/26/84/60/823268460.db2.gz KVQVZWNNLHESRK-LJQANCHMSA-N 0 0 385.471 4.368 20 5 GIBDRN CCCNC(=O)c1cccc(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000176689252 823268739 /nfs/dbraw/zinc/26/87/39/823268739.db2.gz QGRVENYQGNMBBM-SFHVURJKSA-N 0 0 384.436 4.007 20 5 GIBDRN Cc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1[N+](=O)[O-] ZINC000004436418 817525875 /nfs/dbraw/zinc/52/58/75/817525875.db2.gz OTJXCPDFAMMDFC-INIZCTEOSA-N 0 0 398.459 4.136 20 5 GIBDRN COCCOc1cc(C)ccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176710388 823274467 /nfs/dbraw/zinc/27/44/67/823274467.db2.gz UZTBMPSGQCEHMW-OAHLLOKOSA-N 0 0 387.436 4.120 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005128192 817552878 /nfs/dbraw/zinc/55/28/78/817552878.db2.gz BTSAGXDHRJZMSX-HXUWFJFHSA-N 0 0 390.395 4.440 20 5 GIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000005200969 817560494 /nfs/dbraw/zinc/56/04/94/817560494.db2.gz IGLKOPQTUQPUAO-UHFFFAOYSA-N 0 0 376.825 4.176 20 5 GIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1Br ZINC000176707008 823273090 /nfs/dbraw/zinc/27/30/90/823273090.db2.gz RVHPQHNGYAVUIZ-UHFFFAOYSA-N 0 0 390.168 4.297 20 5 GIBDRN Cc1cc(C(=O)COc2ncc(C)cc2[N+](=O)[O-])c(C)n1Cc1cccs1 ZINC000176706127 823273097 /nfs/dbraw/zinc/27/30/97/823273097.db2.gz FBQZZCVUUZBWTC-UHFFFAOYSA-N 0 0 385.445 4.088 20 5 GIBDRN CSc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005425792 817582254 /nfs/dbraw/zinc/58/22/54/817582254.db2.gz UJEMXFODCBEKFN-UHFFFAOYSA-N 0 0 394.836 4.074 20 5 GIBDRN CC(C)c1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 ZINC000005466533 817586869 /nfs/dbraw/zinc/58/68/69/817586869.db2.gz DGKQSIFGPYAJLR-UHFFFAOYSA-N 0 0 397.383 4.270 20 5 GIBDRN C[C@H](OC(=O)c1ccc2ncsc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005468587 817586971 /nfs/dbraw/zinc/58/69/71/817586971.db2.gz FSJIECYCIPWVQZ-JTQLQIEISA-N 0 0 396.384 4.173 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000005485058 817588587 /nfs/dbraw/zinc/58/85/87/817588587.db2.gz VPNMNONKVVWOII-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000005484835 817588622 /nfs/dbraw/zinc/58/86/22/817588622.db2.gz YZQYRCFDDIMEGF-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(CC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000005505094 817589062 /nfs/dbraw/zinc/58/90/62/817589062.db2.gz VYTOKOQVZTUEOP-CQSZACIVSA-N 0 0 381.388 4.109 20 5 GIBDRN Cc1ccc2c(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)oc2c1C ZINC000005508599 817590644 /nfs/dbraw/zinc/59/06/44/817590644.db2.gz GEYLDBLRVQXGRG-UHFFFAOYSA-N 0 0 387.775 4.328 20 5 GIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000005508657 817590790 /nfs/dbraw/zinc/59/07/90/817590790.db2.gz KVBGFOZPVUDYAH-UHFFFAOYSA-N 0 0 398.596 4.050 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000005532982 817591700 /nfs/dbraw/zinc/59/17/00/817591700.db2.gz RZSQXPRGKGVTFZ-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN O=C(OCc1nc2ccccc2s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005536116 817593008 /nfs/dbraw/zinc/59/30/08/817593008.db2.gz ZPIRYXUQTLODDP-UHFFFAOYSA-N 0 0 393.218 4.324 20 5 GIBDRN Cc1csc(NC(=O)CSc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000409650601 823274040 /nfs/dbraw/zinc/27/40/40/823274040.db2.gz VKBBQZLNZJYZPV-UHFFFAOYSA-N 0 0 378.262 4.397 20 5 GIBDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176709823 823274147 /nfs/dbraw/zinc/27/41/47/823274147.db2.gz UQANXZLXOCEFQM-UHFFFAOYSA-N 0 0 392.346 4.118 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000057309227 823277998 /nfs/dbraw/zinc/27/79/98/823277998.db2.gz DLPSLGVFBUJAOL-UHFFFAOYSA-N 0 0 379.372 4.351 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000005672637 817607218 /nfs/dbraw/zinc/60/72/18/817607218.db2.gz OSJZVVVDUVFJOH-HXUWFJFHSA-N 0 0 390.395 4.440 20 5 GIBDRN CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000005680677 817608571 /nfs/dbraw/zinc/60/85/71/817608571.db2.gz DHVCVKCELUDCRS-XOBRGWDASA-N 0 0 384.432 4.215 20 5 GIBDRN C/C=C/C=C/C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000005702635 817610507 /nfs/dbraw/zinc/61/05/07/817610507.db2.gz 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C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000006012784 817640714 /nfs/dbraw/zinc/64/07/14/817640714.db2.gz FFSAEUVSMOLPQK-XETPBLJFSA-N 0 0 390.395 4.332 20 5 GIBDRN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C ZINC000006038871 817643613 /nfs/dbraw/zinc/64/36/13/817643613.db2.gz WYQSRMRWRKXKHQ-INIZCTEOSA-N 0 0 396.443 4.240 20 5 GIBDRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000006061100 817646645 /nfs/dbraw/zinc/64/66/45/817646645.db2.gz MRWZQZBYRVJXQC-UHFFFAOYSA-N 0 0 398.337 4.420 20 5 GIBDRN O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006065270 817648306 /nfs/dbraw/zinc/64/83/06/817648306.db2.gz BTRKEVMSTUXAKM-FPYGCLRLSA-N 0 0 395.198 4.097 20 5 GIBDRN CC(=O)Nc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C ZINC000121922022 823277703 /nfs/dbraw/zinc/27/77/03/823277703.db2.gz NTSPQPRJIDKUIY-UHFFFAOYSA-N 0 0 382.420 4.058 20 5 GIBDRN CC(C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC000006372569 817684895 /nfs/dbraw/zinc/68/48/95/817684895.db2.gz QOBPGOPQAFRUTC-UHFFFAOYSA-N 0 0 397.460 4.250 20 5 GIBDRN O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006436707 817691965 /nfs/dbraw/zinc/69/19/65/817691965.db2.gz VBZVYKRLYSGWQG-UHFFFAOYSA-N 0 0 394.836 4.140 20 5 GIBDRN Cn1c2ccccc2nc1-c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000057357337 823281614 /nfs/dbraw/zinc/28/16/14/823281614.db2.gz FUUQWFNIGYHDKL-UHFFFAOYSA-N 0 0 378.413 4.462 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000176738088 823281628 /nfs/dbraw/zinc/28/16/28/823281628.db2.gz WCWIZJUBCOLBNG-UHFFFAOYSA-N 0 0 389.383 4.481 20 5 GIBDRN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000006609453 817708975 /nfs/dbraw/zinc/70/89/75/817708975.db2.gz BQEUOFGCTSSBRB-UHFFFAOYSA-N 0 0 394.836 4.074 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000006642996 817714458 /nfs/dbraw/zinc/71/44/58/817714458.db2.gz YVUDNQKSBDJIRK-UHFFFAOYSA-N 0 0 386.791 4.428 20 5 GIBDRN CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000006649457 817714941 /nfs/dbraw/zinc/71/49/41/817714941.db2.gz JAMCUYNCUFRWCW-ZDUSSCGKSA-N 0 0 391.855 4.106 20 5 GIBDRN C[C@@H](OC(=O)c1cn(C)c2ccccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006830556 817718110 /nfs/dbraw/zinc/71/81/10/817718110.db2.gz WUMCUKFLRQIRGR-GFCCVEGCSA-N 0 0 392.371 4.055 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006842450 817718751 /nfs/dbraw/zinc/71/87/51/817718751.db2.gz MEBRFIQLIWAJIO-MRVPVSSYSA-N 0 0 379.781 4.278 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](Sc2ncccn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006910893 817724088 /nfs/dbraw/zinc/72/40/88/817724088.db2.gz VGHKHKWLCTYJST-KRWDZBQOSA-N 0 0 380.429 4.165 20 5 GIBDRN COc1ccc([C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000006995335 817737209 /nfs/dbraw/zinc/73/72/09/817737209.db2.gz MKMSMBFNPMTVAU-NRFANRHFSA-N 0 0 392.411 4.131 20 5 GIBDRN 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O=C(Nc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000014516635 818249096 /nfs/dbraw/zinc/24/90/96/818249096.db2.gz LCTPUMIXNCRHFH-UHFFFAOYSA-N 0 0 376.416 4.386 20 5 GIBDRN Cc1c(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000014631459 818255965 /nfs/dbraw/zinc/25/59/65/818255965.db2.gz IVZFDANBKIAOAU-UHFFFAOYSA-N 0 0 376.368 4.375 20 5 GIBDRN Cc1csc([C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)n1 ZINC000122240283 823326311 /nfs/dbraw/zinc/32/63/11/823326311.db2.gz JVTVFXCMJQANAM-QGZVFWFLSA-N 0 0 386.477 4.185 20 5 GIBDRN O=C(CCSCc1cnn(-c2ccccc2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000409845148 823323629 /nfs/dbraw/zinc/32/36/29/823323629.db2.gz UZOGPMZMIBCMGZ-UHFFFAOYSA-N 0 0 382.445 4.043 20 5 GIBDRN CCn1c(Cc2ccccc2)nnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176928800 823326491 /nfs/dbraw/zinc/32/64/91/823326491.db2.gz KJTMPPVHJRBYHY-UHFFFAOYSA-N 0 0 395.444 4.231 20 5 GIBDRN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122227974 823324366 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COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000015288217 818306345 /nfs/dbraw/zinc/30/63/45/818306345.db2.gz DDTCKKVKJWLYSI-UHFFFAOYSA-N 0 0 398.444 4.086 20 5 GIBDRN Cc1c(NCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000015319969 818312472 /nfs/dbraw/zinc/31/24/72/818312472.db2.gz RIGRCTMILFDQOA-NSHDSACASA-N 0 0 382.247 4.499 20 5 GIBDRN O=C(CSC1=Nc2ccccc2CS1)Nc1cc([N+](=O)[O-])ccc1F ZINC000015373901 818319472 /nfs/dbraw/zinc/31/94/72/818319472.db2.gz UTSYBGKNXOAHKB-UHFFFAOYSA-N 0 0 377.422 4.340 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1ccco1)Cc1ccco1 ZINC000460241369 823328368 /nfs/dbraw/zinc/32/83/68/823328368.db2.gz HIPCGUKCVWLWQG-UHFFFAOYSA-N 0 0 393.403 4.266 20 5 GIBDRN O=C(CCSCCOc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000409862086 823329103 /nfs/dbraw/zinc/32/91/03/823329103.db2.gz MPGNLDRTYIRPBO-UHFFFAOYSA-N 0 0 380.853 4.389 20 5 GIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1OC(F)F ZINC000460245454 823329154 /nfs/dbraw/zinc/32/91/54/823329154.db2.gz GIGJRMMDRLTKCK-UHFFFAOYSA-N 0 0 385.754 4.214 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176938571 823329250 /nfs/dbraw/zinc/32/92/50/823329250.db2.gz ZCYNWLCYXCISER-JTQLQIEISA-N 0 0 387.783 4.181 20 5 GIBDRN COc1cc(C(=O)NCC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015590676 818343238 /nfs/dbraw/zinc/34/32/38/818343238.db2.gz IKPTXTBLHOZBBB-UHFFFAOYSA-N 0 0 378.812 4.435 20 5 GIBDRN COc1cccc(C(=O)CCCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000572385367 823330682 /nfs/dbraw/zinc/33/06/82/823330682.db2.gz IDGRMNMUBCTRRU-OAHLLOKOSA-N 0 0 384.432 4.142 20 5 GIBDRN COC(=O)c1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000015741604 818365255 /nfs/dbraw/zinc/36/52/55/818365255.db2.gz YCYBGNKJYPBEQN-ZDUSSCGKSA-N 0 0 378.384 4.026 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000015798272 818368855 /nfs/dbraw/zinc/36/88/55/818368855.db2.gz XWEBWHUSWJCABM-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1COc1ccccc1 ZINC000015834943 818374817 /nfs/dbraw/zinc/37/48/17/818374817.db2.gz PBMCDPOGWAOTOT-UHFFFAOYSA-N 0 0 391.427 4.016 20 5 GIBDRN COc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000015924155 818378793 /nfs/dbraw/zinc/37/87/93/818378793.db2.gz BPFRQABPOPOXLW-UHFFFAOYSA-N 0 0 391.427 4.146 20 5 GIBDRN O=C(NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000016009297 818384360 /nfs/dbraw/zinc/38/43/60/818384360.db2.gz UIIDCDIOXBVPNW-UHFFFAOYSA-N 0 0 391.427 4.016 20 5 GIBDRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000016014659 818384541 /nfs/dbraw/zinc/38/45/41/818384541.db2.gz QBFUJZNIUCVJKZ-UHFFFAOYSA-N 0 0 398.806 4.103 20 5 GIBDRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000016014655 818384831 /nfs/dbraw/zinc/38/48/31/818384831.db2.gz BVCRVCXUBVBRHO-UHFFFAOYSA-N 0 0 398.806 4.103 20 5 GIBDRN CCSc1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000016048709 818387400 /nfs/dbraw/zinc/38/74/00/818387400.db2.gz QUXPUMYFLOJECL-QMMMGPOBSA-N 0 0 395.491 4.462 20 5 GIBDRN CCc1cnccc1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188955440 823333885 /nfs/dbraw/zinc/33/38/85/823333885.db2.gz XLQGWKRZELDWFV-UHFFFAOYSA-N 0 0 377.400 4.384 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016139750 818396590 /nfs/dbraw/zinc/39/65/90/818396590.db2.gz QEGRGOICAKMBDL-INIZCTEOSA-N 0 0 390.823 4.061 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144562 818397775 /nfs/dbraw/zinc/39/77/75/818397775.db2.gz BAYGUJBSEIRQKC-INIZCTEOSA-N 0 0 390.823 4.061 20 5 GIBDRN O=C(CCSc1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000409880207 823334400 /nfs/dbraw/zinc/33/44/00/823334400.db2.gz OQDZKKMQEKCKFD-UHFFFAOYSA-N 0 0 381.251 4.478 20 5 GIBDRN CCOc1ccc(C(C)=O)cc1COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000016196491 818404898 /nfs/dbraw/zinc/40/48/98/818404898.db2.gz DABCEEICSTZJDU-UHFFFAOYSA-N 0 0 389.429 4.275 20 5 GIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc2nccn2c1 ZINC000188964553 823335198 /nfs/dbraw/zinc/33/51/98/823335198.db2.gz GPFMSVPTAZSOKS-UHFFFAOYSA-N 0 0 388.383 4.074 20 5 GIBDRN Cc1cccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000016297627 818417640 /nfs/dbraw/zinc/41/76/40/818417640.db2.gz CSEMVQWTGWEGBD-UHFFFAOYSA-N 0 0 381.457 4.080 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccccc1Br ZINC000016360444 818429343 /nfs/dbraw/zinc/42/93/43/818429343.db2.gz DGDQWUMNKREZPL-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN CCNc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000016397308 818434596 /nfs/dbraw/zinc/43/45/96/818434596.db2.gz FNWFVYJKASPJHY-LBPRGKRZSA-N 0 0 397.460 4.089 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2cnn(C)c2c1 ZINC000572422421 823336244 /nfs/dbraw/zinc/33/62/44/823336244.db2.gz MIAYUILJODNMRA-UHFFFAOYSA-N 0 0 398.488 4.304 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000409888932 823336541 /nfs/dbraw/zinc/33/65/41/823336541.db2.gz SHXSLELMKDMQOJ-NSHDSACASA-N 0 0 383.326 4.419 20 5 GIBDRN COc1cc(OCC(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000176966270 823336792 /nfs/dbraw/zinc/33/67/92/823336792.db2.gz NNMVZJNLNBSGDE-UHFFFAOYSA-N 0 0 398.337 4.116 20 5 GIBDRN COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 ZINC000016458652 818445132 /nfs/dbraw/zinc/44/51/32/818445132.db2.gz RWXKXVVOSQKOLK-UHFFFAOYSA-N 0 0 392.411 4.212 20 5 GIBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1Cl ZINC000016590483 818456913 /nfs/dbraw/zinc/45/69/13/818456913.db2.gz JQWWPKISWDGTGG-LLVKDONJSA-N 0 0 382.247 4.361 20 5 GIBDRN O=C(OCc1ccc(-n2cccn2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000016655294 818463183 /nfs/dbraw/zinc/46/31/83/818463183.db2.gz SAMNEQDAPLTORE-UHFFFAOYSA-N 0 0 379.397 4.352 20 5 GIBDRN Cc1cc(F)cc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000176973553 823339588 /nfs/dbraw/zinc/33/95/88/823339588.db2.gz OEPDAMJPVDHDKK-UHFFFAOYSA-N 0 0 394.349 4.004 20 5 GIBDRN CC(C)C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000016967244 818493730 /nfs/dbraw/zinc/49/37/30/818493730.db2.gz OZDMBYLGINIQOZ-GOSISDBHSA-N 0 0 398.488 4.467 20 5 GIBDRN Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1CCC(C)C ZINC000122338891 823340687 /nfs/dbraw/zinc/34/06/87/823340687.db2.gz OPXQLYDESYJDCC-UHFFFAOYSA-N 0 0 399.495 4.001 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)NCCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000017357361 818511946 /nfs/dbraw/zinc/51/19/46/818511946.db2.gz XSRWCOYCHYZSSA-UHFFFAOYSA-N 0 0 399.497 4.483 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C(=O)NCc1ccccc1 ZINC000017524826 818518522 /nfs/dbraw/zinc/51/85/22/818518522.db2.gz VSYAFNQKCJYQOV-UHFFFAOYSA-N 0 0 391.427 4.146 20 5 GIBDRN COC(C)(C)C[C@H](C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000460293106 823342485 /nfs/dbraw/zinc/34/24/85/823342485.db2.gz XRBIVDHJOHTCPQ-JYJNAYRXSA-N 0 0 391.512 4.011 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000017748568 818526603 /nfs/dbraw/zinc/52/66/03/818526603.db2.gz YHTPRDBPXFKQOG-IBGZPJMESA-N 0 0 396.443 4.069 20 5 GIBDRN O=C(OCc1cc(=O)n2ccccc2n1)c1c2ccccc2cc2ccccc21 ZINC000018035173 818540687 /nfs/dbraw/zinc/54/06/87/818540687.db2.gz BPGZXGHYKMJGFF-UHFFFAOYSA-N 0 0 380.403 4.358 20 5 GIBDRN O=C(N[C@@H]1CCSc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018134071 818548841 /nfs/dbraw/zinc/54/88/41/818548841.db2.gz LGXFLODQZGMBQJ-QGZVFWFLSA-N 0 0 397.500 4.165 20 5 GIBDRN O=[N+]([O-])c1ccc(NCCNC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000018166317 818553693 /nfs/dbraw/zinc/55/36/93/818553693.db2.gz BMKRPXZITANWML-UHFFFAOYSA-N 0 0 385.276 4.300 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COc1ccccc1C(=O)Nc1ccccc1 ZINC000018192199 818555911 /nfs/dbraw/zinc/55/59/11/818555911.db2.gz DESBDECWRVEQGY-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000018203586 818556371 /nfs/dbraw/zinc/55/63/71/818556371.db2.gz NHLFEGTXRPTVRM-AWEZNQCLSA-N 0 0 379.416 4.432 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000460304852 823346934 /nfs/dbraw/zinc/34/69/34/823346934.db2.gz KBQYKHPZENVDQW-AWEZNQCLSA-N 0 0 381.436 4.079 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])c2)cs1 ZINC000018763366 818576929 /nfs/dbraw/zinc/57/69/29/818576929.db2.gz DECFIOMJRZLPRV-UHFFFAOYSA-N 0 0 387.392 4.183 20 5 GIBDRN CCSc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC)ccn1 ZINC000189047122 823347819 /nfs/dbraw/zinc/34/78/19/823347819.db2.gz YLGJPJFMNJPTFY-UHFFFAOYSA-N 0 0 377.491 4.144 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000019676564 818597552 /nfs/dbraw/zinc/59/75/52/818597552.db2.gz XGRWCPIWRJPMMK-UHFFFAOYSA-N 0 0 390.443 4.049 20 5 GIBDRN Cc1ccc(-c2csc3[nH]c(Cc4ccc([N+](=O)[O-])cc4)nc(=O)c23)cc1 ZINC000020368732 818619171 /nfs/dbraw/zinc/61/91/71/818619171.db2.gz LCJSSFMYEYXMGE-UHFFFAOYSA-N 0 0 377.425 4.459 20 5 GIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br ZINC000020751059 818629778 /nfs/dbraw/zinc/62/97/78/818629778.db2.gz MFHMWPPYUAUWKL-UHFFFAOYSA-N 0 0 398.596 4.050 20 5 GIBDRN C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020751351 818630709 /nfs/dbraw/zinc/63/07/09/818630709.db2.gz CWYVKPGYCZWYKG-JTQLQIEISA-N 0 0 397.214 4.015 20 5 GIBDRN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000020903436 818638940 /nfs/dbraw/zinc/63/89/40/818638940.db2.gz VJJGHRBJSDBYKP-UHFFFAOYSA-N 0 0 381.432 4.286 20 5 GIBDRN Cc1ccc(NC(=O)Cc2nc(COc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000021173521 818661399 /nfs/dbraw/zinc/66/13/99/818661399.db2.gz SFXWOAAPZSPCIM-UHFFFAOYSA-N 0 0 383.429 4.120 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000122407367 823350116 /nfs/dbraw/zinc/35/01/16/823350116.db2.gz OJPMXCTUCGAMKQ-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000057949459 823350108 /nfs/dbraw/zinc/35/01/08/823350108.db2.gz ICDFDUPSWOFUMG-HXUWFJFHSA-N 0 0 375.384 4.375 20 5 GIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000057949448 823350181 /nfs/dbraw/zinc/35/01/81/823350181.db2.gz IWUVOJUNPHBXSI-HXUWFJFHSA-N 0 0 375.384 4.375 20 5 GIBDRN C[C@@H](OC(=O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021242501 818667897 /nfs/dbraw/zinc/66/78/97/818667897.db2.gz KBRVNSSIONPWMU-LLVKDONJSA-N 0 0 380.194 4.041 20 5 GIBDRN COc1cccc(CN(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000021333300 818677106 /nfs/dbraw/zinc/67/71/06/818677106.db2.gz NKMJZQWWKZJETF-INIZCTEOSA-N 0 0 397.475 4.112 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000021491432 818695160 /nfs/dbraw/zinc/69/51/60/818695160.db2.gz GJMATDHYGPTERH-UHFFFAOYSA-N 0 0 398.440 4.321 20 5 GIBDRN Cc1cc(OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)ccc1[N+](=O)[O-] ZINC000021589316 818709660 /nfs/dbraw/zinc/70/96/60/818709660.db2.gz NEDZEPCDIVQJRR-UHFFFAOYSA-N 0 0 398.415 4.352 20 5 GIBDRN CC(C)(COCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000409967948 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397.337 4.378 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000460519022 823416560 /nfs/dbraw/zinc/41/65/60/823416560.db2.gz CIJWROHLHYKWLR-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN COc1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])cc1F ZINC000572931048 823422103 /nfs/dbraw/zinc/42/21/03/823422103.db2.gz CHILXFQFGQPTHL-UHFFFAOYSA-N 0 0 394.349 4.041 20 5 GIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410209259 823420551 /nfs/dbraw/zinc/42/05/51/823420551.db2.gz HOYKQCVETAXWRO-UHFFFAOYSA-N 0 0 380.778 4.488 20 5 GIBDRN COc1c(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000410211734 823421240 /nfs/dbraw/zinc/42/12/40/823421240.db2.gz XQVVQOXQJIDJGM-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189479649 823426494 /nfs/dbraw/zinc/42/64/94/823426494.db2.gz KWIRARPBYLWJOJ-YCRPNKLZSA-N 0 0 388.439 4.027 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)c1 ZINC000410230141 823427023 /nfs/dbraw/zinc/42/70/23/823427023.db2.gz VAUMCMULQUNVID-UHFFFAOYSA-N 0 0 397.406 4.186 20 5 GIBDRN O=C(Nc1ccc(-c2csnn2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000122925730 823434812 /nfs/dbraw/zinc/43/48/12/823434812.db2.gz YFCADCJASCTDRW-UHFFFAOYSA-N 0 0 395.444 4.310 20 5 GIBDRN C[C@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)NCC(F)(F)F ZINC000024851960 819884051 /nfs/dbraw/zinc/88/40/51/819884051.db2.gz SSRYSYRKWMKEFO-LBPRGKRZSA-N 0 0 375.346 4.217 20 5 GIBDRN COc1cc(COc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000025042643 819914363 /nfs/dbraw/zinc/91/43/63/819914363.db2.gz UVSJKYFIJRGZHC-UHFFFAOYSA-N 0 0 384.291 4.000 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000122974582 823442202 /nfs/dbraw/zinc/44/22/02/823442202.db2.gz XWCVPUWDWVBYDV-UHFFFAOYSA-N 0 0 377.347 4.078 20 5 GIBDRN COc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c1OC1CCCC1 ZINC000123005648 823446991 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Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000026120235 820061134 /nfs/dbraw/zinc/06/11/34/820061134.db2.gz BHQQDEUUKIEAQV-UHFFFAOYSA-N 0 0 377.780 4.075 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000026122576 820061793 /nfs/dbraw/zinc/06/17/93/820061793.db2.gz HCHXIAQDANOPKC-FQEVSTJZSA-N 0 0 390.395 4.440 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC)nc2)cc1 ZINC000058773629 823449560 /nfs/dbraw/zinc/44/95/60/823449560.db2.gz UFEOIFYJXQNFSU-UHFFFAOYSA-N 0 0 395.371 4.052 20 5 GIBDRN C[C@@H](OC(=O)c1cc2ccc(F)cc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026222280 820071097 /nfs/dbraw/zinc/07/10/97/820071097.db2.gz JBWCUONWUSBDQV-SNVBAGLBSA-N 0 0 388.376 4.133 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000460600155 823450679 /nfs/dbraw/zinc/45/06/79/823450679.db2.gz QKRUREJHFKJLJS-LAUBAEHRSA-N 0 0 397.475 4.002 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000460600153 823450725 /nfs/dbraw/zinc/45/07/25/823450725.db2.gz QKRUREJHFKJLJS-DYESRHJHSA-N 0 0 397.475 4.002 20 5 GIBDRN CCOC(=O)c1c(C)c2ccccc2nc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000026350632 820087597 /nfs/dbraw/zinc/08/75/97/820087597.db2.gz ODXDBCNBMDIMOU-UHFFFAOYSA-N 0 0 393.443 4.260 20 5 GIBDRN O=[N+]([O-])c1ccc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000573132814 823451890 /nfs/dbraw/zinc/45/18/90/823451890.db2.gz HEGUVJBZPGJEDI-UHFFFAOYSA-N 0 0 381.263 4.373 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000026455467 820100302 /nfs/dbraw/zinc/10/03/02/820100302.db2.gz MKZJXRWUZFCMCF-UHFFFAOYSA-N 0 0 381.432 4.037 20 5 GIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1[N+](=O)[O-] ZINC000026548239 820112588 /nfs/dbraw/zinc/11/25/88/820112588.db2.gz ZREBMZVDMBQMHC-UHFFFAOYSA-N 0 0 399.428 4.236 20 5 GIBDRN CC(C)c1nnc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000026571007 820115882 /nfs/dbraw/zinc/11/58/82/820115882.db2.gz VPTUHJCOGCVHPC-GFCCVEGCSA-N 0 0 389.481 4.058 20 5 GIBDRN CCCCCNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000026581112 820116695 /nfs/dbraw/zinc/11/66/95/820116695.db2.gz JFMCFFROMKPHRC-OAHLLOKOSA-N 0 0 397.544 4.357 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000573144267 823454945 /nfs/dbraw/zinc/45/49/45/823454945.db2.gz XTVYXIDQSUXGPA-QGZVFWFLSA-N 0 0 399.447 4.241 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Oc2ccccc2OC)C1 ZINC000573144266 823454974 /nfs/dbraw/zinc/45/49/74/823454974.db2.gz XTVYXIDQSUXGPA-KRWDZBQOSA-N 0 0 399.447 4.241 20 5 GIBDRN CCOc1ccc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1[N+](=O)[O-] ZINC000026681497 820131409 /nfs/dbraw/zinc/13/14/09/820131409.db2.gz CGTYMNVPWKHBTO-CYBMUJFWSA-N 0 0 397.387 4.270 20 5 GIBDRN COc1ccc([C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000026738697 820138238 /nfs/dbraw/zinc/13/82/38/820138238.db2.gz RLZDEUJOIQNXNT-NRFANRHFSA-N 0 0 385.464 4.309 20 5 GIBDRN CCN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000026856266 820154053 /nfs/dbraw/zinc/15/40/53/820154053.db2.gz ZTJVNPWDTLMRNV-UHFFFAOYSA-N 0 0 383.813 4.189 20 5 GIBDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000026872710 820155905 /nfs/dbraw/zinc/15/59/05/820155905.db2.gz ONJOLFSWBPMZFZ-SNVBAGLBSA-N 0 0 381.201 4.330 20 5 GIBDRN Cc1cccc([C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2ccccn2)c1 ZINC000123074807 823457514 /nfs/dbraw/zinc/45/75/14/823457514.db2.gz FDMPKPBRFOOFKQ-JOCHJYFZSA-N 0 0 388.427 4.384 20 5 GIBDRN CN(CCC(=O)Nc1cccc(Cl)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924323 820165176 /nfs/dbraw/zinc/16/51/76/820165176.db2.gz PTRBGAATAZWVFR-UHFFFAOYSA-N 0 0 382.247 4.362 20 5 GIBDRN CC(C)Cn1c(-c2ccccn2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460622496 823458499 /nfs/dbraw/zinc/45/84/99/823458499.db2.gz WECLVWWBOLVWAC-UHFFFAOYSA-N 0 0 392.463 4.073 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058821258 823458982 /nfs/dbraw/zinc/45/89/82/823458982.db2.gz BOWWMQIUWHFZFC-ZDUSSCGKSA-N 0 0 395.440 4.400 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058821149 823459114 /nfs/dbraw/zinc/45/91/14/823459114.db2.gz ZNMMBOYVKPLIJI-HNNXBMFYSA-N 0 0 389.411 4.338 20 5 GIBDRN C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000027043268 820184664 /nfs/dbraw/zinc/18/46/64/820184664.db2.gz FZRCZEJDLQMOEK-LBPRGKRZSA-N 0 0 382.420 4.473 20 5 GIBDRN CC(C)Cn1c(-c2ccccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460630987 823461306 /nfs/dbraw/zinc/46/13/06/823461306.db2.gz PRVVSPIETOLGRZ-UHFFFAOYSA-N 0 0 392.463 4.073 20 5 GIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000027183021 820207044 /nfs/dbraw/zinc/20/70/44/820207044.db2.gz DSRXVIXQQOKWRH-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN CCCCC[C@H](C)NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027313531 820223652 /nfs/dbraw/zinc/22/36/52/820223652.db2.gz AAFKYKNVGLMQIO-LBPRGKRZSA-N 0 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ZINC000027660743 820271866 /nfs/dbraw/zinc/27/18/66/820271866.db2.gz UJAJHOMXTADGAD-ZDUSSCGKSA-N 0 0 382.445 4.413 20 5 GIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028042960 820307172 /nfs/dbraw/zinc/30/71/72/820307172.db2.gz TXIBEDGXONLJSX-JTQLQIEISA-N 0 0 389.260 4.283 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2C(F)(F)F)cc1OC ZINC000028174396 820315643 /nfs/dbraw/zinc/31/56/43/820315643.db2.gz MUFXQTXHNQUXNT-UHFFFAOYSA-N 0 0 399.321 4.378 20 5 GIBDRN CCCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000123145324 823469681 /nfs/dbraw/zinc/46/96/81/823469681.db2.gz WZAIZEIOTIAEAZ-UHFFFAOYSA-N 0 0 380.404 4.036 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1OC ZINC000460661773 823470132 /nfs/dbraw/zinc/47/01/32/823470132.db2.gz CHUVRUAYAXAVKO-WBVHZDCISA-N 0 0 398.459 4.268 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000028423889 820335419 /nfs/dbraw/zinc/33/54/19/820335419.db2.gz 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COc1ccc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2c1 ZINC000028838374 820362247 /nfs/dbraw/zinc/36/22/47/820362247.db2.gz PTVWSTUIYIBFMY-UHFFFAOYSA-N 0 0 384.417 4.040 20 5 GIBDRN Cc1ccc(-c2noc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 ZINC000028908440 820370884 /nfs/dbraw/zinc/37/08/84/820370884.db2.gz CFNQXBRXXCBVAP-UHFFFAOYSA-N 0 0 399.428 4.253 20 5 GIBDRN CC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000028913272 820371907 /nfs/dbraw/zinc/37/19/07/820371907.db2.gz NMLPKMRZPCMKDR-SNVBAGLBSA-N 0 0 395.337 4.255 20 5 GIBDRN O=[N+]([O-])c1cccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000028943301 820376642 /nfs/dbraw/zinc/37/66/42/820376642.db2.gz ZPTXVBCXDKGMSD-UHFFFAOYSA-N 0 0 386.404 4.129 20 5 GIBDRN O=[N+]([O-])c1ccccc1Sc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000029003349 820382406 /nfs/dbraw/zinc/38/24/06/820382406.db2.gz KJJADPOVHOSTJP-UHFFFAOYSA-N 0 0 395.488 4.313 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(OC3CCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000029070046 820389095 /nfs/dbraw/zinc/38/90/95/820389095.db2.gz WQQQIBXNJRVMNE-UHFFFAOYSA-N 0 0 386.404 4.186 20 5 GIBDRN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000029195218 820409803 /nfs/dbraw/zinc/40/98/03/820409803.db2.gz QHLIFXFFQFOSKF-IBGZPJMESA-N 0 0 399.497 4.304 20 5 GIBDRN C[C@@H]1CCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000573296534 823477858 /nfs/dbraw/zinc/47/78/58/823477858.db2.gz MCBONHRALASPJU-MRXNPFEDSA-N 0 0 377.448 4.280 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 ZINC000029353555 820442062 /nfs/dbraw/zinc/44/20/62/820442062.db2.gz TZFVRMQFLMIREI-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NCCc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000029651821 820493490 /nfs/dbraw/zinc/49/34/90/820493490.db2.gz KMTTWZWWSMQFIM-UHFFFAOYSA-N 0 0 393.468 4.422 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000123252794 823485680 /nfs/dbraw/zinc/48/56/80/823485680.db2.gz IUWPKFHJMCUFRN-QFBILLFUSA-N 0 0 399.491 4.066 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000029986731 820561327 /nfs/dbraw/zinc/56/13/27/820561327.db2.gz KGMRUOTZPDYGSQ-UHFFFAOYSA-N 0 0 380.448 4.131 20 5 GIBDRN COc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c(OC)c1 ZINC000410424291 823493568 /nfs/dbraw/zinc/49/35/68/823493568.db2.gz FOJVNQDXNGLJTI-LBPRGKRZSA-N 0 0 376.434 4.040 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000573410855 823490174 /nfs/dbraw/zinc/49/01/74/823490174.db2.gz KJTQZQRRYPKXPK-UHFFFAOYSA-N 0 0 387.411 4.372 20 5 GIBDRN CCc1cc(NC(=O)c2cc(NC(C)=O)ccc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000189770602 823491584 /nfs/dbraw/zinc/49/15/84/823491584.db2.gz FLYDYUGRYMKCEX-UHFFFAOYSA-N 0 0 392.415 4.225 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000030546381 820637894 /nfs/dbraw/zinc/63/78/94/820637894.db2.gz NVFBVGNTODCUJJ-UHFFFAOYSA-N 0 0 382.464 4.416 20 5 GIBDRN CC(C)Cn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000059406966 823495602 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O=C(C/C=C/c1ccccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177644156 823506345 /nfs/dbraw/zinc/50/63/45/823506345.db2.gz NLYHYLTUNQGKGS-HWKANZROSA-N 0 0 384.407 4.207 20 5 GIBDRN O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000123355947 823500812 /nfs/dbraw/zinc/50/08/12/823500812.db2.gz GPSWWEIYYXTTHZ-YWZLYKJASA-N 0 0 382.416 4.075 20 5 GIBDRN O=C(NC(c1ccccc1)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031207894 820769463 /nfs/dbraw/zinc/76/94/63/820769463.db2.gz PHAARCALCUUIQI-UHFFFAOYSA-N 0 0 398.422 4.300 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c(-c2ccco2)nc2ccccn21 ZINC000177616056 823501954 /nfs/dbraw/zinc/50/19/54/823501954.db2.gz PSBZIMAHOSDNAT-UHFFFAOYSA-N 0 0 394.412 4.233 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000460742333 823501974 /nfs/dbraw/zinc/50/19/74/823501974.db2.gz WNFMRMJPUDCNIQ-UHFFFAOYSA-N 0 0 397.822 4.182 20 5 GIBDRN COc1ccc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000031257784 820779666 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ZINC000410705859 823510077 /nfs/dbraw/zinc/51/00/77/823510077.db2.gz WQGNEKBUPOGFMH-BZNIZROVSA-N 0 0 379.338 4.232 20 5 GIBDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000031817939 820864805 /nfs/dbraw/zinc/86/48/05/820864805.db2.gz IIUKRVDWIPXJFH-UHFFFAOYSA-N 0 0 398.728 4.255 20 5 GIBDRN Cc1ccc(-c2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n[nH]2)cc1 ZINC000031843885 820867228 /nfs/dbraw/zinc/86/72/28/820867228.db2.gz MDFQYAWKVDIXFM-UHFFFAOYSA-N 0 0 394.416 4.031 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2-c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000031874664 820869086 /nfs/dbraw/zinc/86/90/86/820869086.db2.gz JGYSUDGOHLRZCR-UHFFFAOYSA-N 0 0 399.410 4.403 20 5 GIBDRN Cc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccco1 ZINC000031929925 820876274 /nfs/dbraw/zinc/87/62/74/820876274.db2.gz KYGHKRHIKPFLCP-UHFFFAOYSA-N 0 0 393.399 4.021 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccnc1Sc1ccccc1 ZINC000031930331 820876482 /nfs/dbraw/zinc/87/64/82/820876482.db2.gz 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CCn1c(SCc2ccnc(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000177749213 823520235 /nfs/dbraw/zinc/52/02/35/823520235.db2.gz UIVNABPXSJSHQC-UHFFFAOYSA-N 0 0 375.841 4.214 20 5 GIBDRN CC(C)Oc1cccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000123552290 823520619 /nfs/dbraw/zinc/52/06/19/823520619.db2.gz YFOOORLAFMCTEG-UHFFFAOYSA-N 0 0 376.840 4.237 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000032849687 821012948 /nfs/dbraw/zinc/01/29/48/821012948.db2.gz ZFLZQISVNOUVRG-UHFFFAOYSA-N 0 0 399.428 4.053 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccccc2F)cc1SC ZINC000410922317 823522327 /nfs/dbraw/zinc/52/23/27/823522327.db2.gz CNNXBWOFLCTOPC-UHFFFAOYSA-N 0 0 378.425 4.130 20 5 GIBDRN Cc1nccc(-c2cccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000033124816 821035975 /nfs/dbraw/zinc/03/59/75/821035975.db2.gz ZMPLCISGTZDQTD-ZDUSSCGKSA-N 0 0 394.456 4.480 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000033136850 821037437 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GIBDRN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1c(C)noc1C ZINC000123600625 823524850 /nfs/dbraw/zinc/52/48/50/823524850.db2.gz RHSPKKONWYWLNB-NSHDSACASA-N 0 0 384.339 4.074 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC000036875445 821088653 /nfs/dbraw/zinc/08/86/53/821088653.db2.gz ABMRTYAIFVKTJA-UHFFFAOYSA-N 0 0 382.397 4.057 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1sccc1Br ZINC000037991569 821094237 /nfs/dbraw/zinc/09/42/37/821094237.db2.gz LVYFBYYFJCZBKK-UHFFFAOYSA-N 0 0 376.615 4.334 20 5 GIBDRN CC[C@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000177782916 823525856 /nfs/dbraw/zinc/52/58/56/823525856.db2.gz FBCYJXIQEHNXFH-AWEZNQCLSA-N 0 0 380.347 4.086 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000410993697 823530434 /nfs/dbraw/zinc/53/04/34/823530434.db2.gz AHYUTQAVCDINIU-HNNXBMFYSA-N 0 0 388.427 4.162 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)c1[N+](=O)[O-] ZINC000411004711 823531757 /nfs/dbraw/zinc/53/17/57/823531757.db2.gz DMRAIGLBCJSXML-LLVKDONJSA-N 0 0 391.396 4.115 20 5 GIBDRN CC(C)Cn1c(-c2ccccc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460866561 823532334 /nfs/dbraw/zinc/53/23/34/823532334.db2.gz ZEEYSHUDIUZEAU-UHFFFAOYSA-N 0 0 377.448 4.072 20 5 GIBDRN Cc1ccc(C)n1-c1nc(CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000177850733 823536113 /nfs/dbraw/zinc/53/61/13/823536113.db2.gz RKGRNOHJJRDVMX-OAHLLOKOSA-N 0 0 398.488 4.187 20 5 GIBDRN O=C(NC1(Cc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411055537 823538644 /nfs/dbraw/zinc/53/86/44/823538644.db2.gz WTBLWFLGJNURQI-UHFFFAOYSA-N 0 0 382.313 4.258 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000041939452 821248402 /nfs/dbraw/zinc/24/84/02/821248402.db2.gz ZRKGDXZPNRZYTN-UHFFFAOYSA-N 0 0 389.717 4.145 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000177872127 823539302 /nfs/dbraw/zinc/53/93/02/823539302.db2.gz VXRKJTHWYSAKEA-LLVKDONJSA-N 0 0 399.394 4.287 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCc3c(F)c(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000411063997 823540191 /nfs/dbraw/zinc/54/01/91/823540191.db2.gz LXEYFEXVISRUFU-UHFFFAOYSA-N 0 0 380.322 4.004 20 5 GIBDRN COc1ccc(CSc2nc3ccccc3c(=O)n2C(C)C)cc1[N+](=O)[O-] ZINC000042131406 821272070 /nfs/dbraw/zinc/27/20/70/821272070.db2.gz GMJVICVNCUDIMW-UHFFFAOYSA-N 0 0 385.445 4.187 20 5 GIBDRN Cc1ccc(OCc2nnc(SCc3cc(F)ccc3[N+](=O)[O-])o2)cc1 ZINC000042157203 821276945 /nfs/dbraw/zinc/27/69/45/821276945.db2.gz AJAVEPNLSVSOKQ-UHFFFAOYSA-N 0 0 375.381 4.297 20 5 GIBDRN CN(Cc1csc(Br)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042305388 821297926 /nfs/dbraw/zinc/29/79/26/821297926.db2.gz GKURCHQRKQRLJN-UHFFFAOYSA-N 0 0 389.658 4.344 20 5 GIBDRN CN(Cc1csc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000042307195 821297942 /nfs/dbraw/zinc/29/79/42/821297942.db2.gz OSXGOPVLDGWJIK-UHFFFAOYSA-N 0 0 389.658 4.344 20 5 GIBDRN Cc1cccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000042918468 821344730 /nfs/dbraw/zinc/34/47/30/821344730.db2.gz NNSPYUYGAYLLDK-UHFFFAOYSA-N 0 0 382.388 4.377 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000043149143 821368330 /nfs/dbraw/zinc/36/83/30/821368330.db2.gz IOPADJLSYBMXJW-OAHLLOKOSA-N 0 0 375.450 4.178 20 5 GIBDRN Cc1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000043147417 821368399 /nfs/dbraw/zinc/36/83/99/821368399.db2.gz GMQNHQUYYWQEFA-HNNXBMFYSA-N 0 0 375.450 4.178 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000043148228 821368443 /nfs/dbraw/zinc/36/84/43/821368443.db2.gz MBSIJAYTFAUXHU-QGZVFWFLSA-N 0 0 385.420 4.289 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000043149512 821368848 /nfs/dbraw/zinc/36/88/48/821368848.db2.gz LGLVCHHRNKRAEW-UHFFFAOYSA-N 0 0 377.404 4.101 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000043149795 821368919 /nfs/dbraw/zinc/36/89/19/821368919.db2.gz ZYKAHIUVJZMJBE-UHFFFAOYSA-N 0 0 380.404 4.456 20 5 GIBDRN O=C(Nc1cccc(Cl)c1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000043263718 821382464 /nfs/dbraw/zinc/38/24/64/821382464.db2.gz MNBAXBGHWMFJMR-UHFFFAOYSA-N 0 0 395.246 4.256 20 5 GIBDRN CC(C)(C)c1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000043314625 821390983 /nfs/dbraw/zinc/39/09/83/821390983.db2.gz LCRHQGQOKGXHGS-UHFFFAOYSA-N 0 0 382.464 4.246 20 5 GIBDRN COc1ccc(C(=O)C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000043346504 821395851 /nfs/dbraw/zinc/39/58/51/821395851.db2.gz OTNPTAMUMKTURG-UHFFFAOYSA-N 0 0 397.431 4.039 20 5 GIBDRN Cc1c(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000043347670 821396024 /nfs/dbraw/zinc/39/60/24/821396024.db2.gz YHFMVAOCJVQQMM-KRWDZBQOSA-N 0 0 399.838 4.201 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180698375 821401237 /nfs/dbraw/zinc/40/12/37/821401237.db2.gz BEPDXDCNLRIHKX-NSHDSACASA-N 0 0 382.445 4.100 20 5 GIBDRN Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000180721535 821417725 /nfs/dbraw/zinc/41/77/25/821417725.db2.gz NAZJQYLFQPJYPU-ZDUSSCGKSA-N 0 0 383.383 4.111 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000180728352 821420991 /nfs/dbraw/zinc/42/09/91/821420991.db2.gz FVZDJDNPFFYLRW-UHFFFAOYSA-N 0 0 398.488 4.334 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000043548001 821424545 /nfs/dbraw/zinc/42/45/45/821424545.db2.gz ZPDPYOUARVCMDR-UHFFFAOYSA-N 0 0 383.404 4.300 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1OC ZINC000043965915 821496798 /nfs/dbraw/zinc/49/67/98/821496798.db2.gz VYECSKOYUGDXCP-UHFFFAOYSA-N 0 0 397.387 4.218 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180985030 821574606 /nfs/dbraw/zinc/57/46/06/821574606.db2.gz GUFVITCIAROGFF-HOTGVXAUSA-N 0 0 397.765 4.178 20 5 GIBDRN O=C(Nc1cccc(COCC2CC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180989924 821578470 /nfs/dbraw/zinc/57/84/70/821578470.db2.gz NTRHFBIJBIBUSI-UHFFFAOYSA-N 0 0 392.358 4.375 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000180996681 821582805 /nfs/dbraw/zinc/58/28/05/821582805.db2.gz RHDIHPSJFDTQML-UHFFFAOYSA-N 0 0 381.363 4.147 20 5 GIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044468242 821588727 /nfs/dbraw/zinc/58/87/27/821588727.db2.gz NENMEERBPWYCCJ-UHFFFAOYSA-N 0 0 397.460 4.202 20 5 GIBDRN O=C(NCc1cccc(COCc2ccccc2)c1)c1csc([N+](=O)[O-])c1 ZINC000044523988 821599882 /nfs/dbraw/zinc/59/98/82/821599882.db2.gz GSZNGEAOEQJZSI-UHFFFAOYSA-N 0 0 382.441 4.303 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC000044568207 821610258 /nfs/dbraw/zinc/61/02/58/821610258.db2.gz FJPMWWQHBIIYCV-UHFFFAOYSA-N 0 0 392.415 4.056 20 5 GIBDRN CC(C)(NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000181107283 821636368 /nfs/dbraw/zinc/63/63/68/821636368.db2.gz CTGVQJPEQSWTHQ-UHFFFAOYSA-N 0 0 389.362 4.466 20 5 GIBDRN COc1ccc(Cl)cc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000044738000 821651562 /nfs/dbraw/zinc/65/15/62/821651562.db2.gz ZTNQQVHWFJSQNY-LLVKDONJSA-N 0 0 380.853 4.054 20 5 GIBDRN CC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)cc1 ZINC000181132360 821652798 /nfs/dbraw/zinc/65/27/98/821652798.db2.gz KSSIZIOEQPOIFY-NRFANRHFSA-N 0 0 398.459 4.167 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000181135611 821655239 /nfs/dbraw/zinc/65/52/39/821655239.db2.gz JLCUHOQHZHJXJE-SANMLTNESA-N 0 0 396.465 4.224 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000181135632 821655374 /nfs/dbraw/zinc/65/53/74/821655374.db2.gz JLCUHOQHZHJXJE-AREMUKBSSA-N 0 0 396.465 4.224 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000044847743 821671586 /nfs/dbraw/zinc/67/15/86/821671586.db2.gz VJQHWZLQAYLHKQ-OAHLLOKOSA-N 0 0 388.445 4.127 20 5 GIBDRN O=[N+]([O-])c1cccc([C@H](Nc2cnn(Cc3ccncc3)c2)c2ccccc2)c1 ZINC000181166749 821675064 /nfs/dbraw/zinc/67/50/64/821675064.db2.gz UYDXXFUXIOZIEA-JOCHJYFZSA-N 0 0 385.427 4.436 20 5 GIBDRN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1Cc1cccnc1 ZINC000181384402 821798954 /nfs/dbraw/zinc/79/89/54/821798954.db2.gz DJBNOKVRCUBUPT-IBGZPJMESA-N 0 0 394.818 4.410 20 5 GIBDRN COc1cc(CNc2ccc(Cl)cn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181537244 821872253 /nfs/dbraw/zinc/87/22/53/821872253.db2.gz LGYPFOJFEUEPOZ-UHFFFAOYSA-N 0 0 391.733 4.205 20 5 GIBDRN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000181583188 821889217 /nfs/dbraw/zinc/88/92/17/821889217.db2.gz LSCXXXKSHVGTBR-ZDUSSCGKSA-N 0 0 378.228 4.046 20 5 GIBDRN Cc1csc([C@@H](N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)n1 ZINC000181605116 821899397 /nfs/dbraw/zinc/89/93/97/821899397.db2.gz VNTVNWHRFFNXAL-NHYWBVRUSA-N 0 0 385.449 4.212 20 5 GIBDRN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000181640780 821918535 /nfs/dbraw/zinc/91/85/35/821918535.db2.gz XQZLHLBUSVWGRW-JTQLQIEISA-N 0 0 390.852 4.094 20 5 GIBDRN CSc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1F ZINC000181669064 821934654 /nfs/dbraw/zinc/93/46/54/821934654.db2.gz MLZAIFBQBYAMNI-UHFFFAOYSA-N 0 0 375.356 4.395 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](CCCO)c1ccccc1 ZINC000181786632 821992158 /nfs/dbraw/zinc/99/21/58/821992158.db2.gz XINMIWAAWQSDKJ-HNNXBMFYSA-N 0 0 397.353 4.249 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000181787831 821992800 /nfs/dbraw/zinc/99/28/00/821992800.db2.gz ORCRFABHIWGGPB-AWEZNQCLSA-N 0 0 394.353 4.332 20 5 GIBDRN CSc1c(F)cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F ZINC000181878049 822024220 /nfs/dbraw/zinc/02/42/20/822024220.db2.gz CEUCJKJSDRZDPH-UHFFFAOYSA-N 0 0 378.360 4.257 20 5 GIBDRN O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181955673 822044911 /nfs/dbraw/zinc/04/49/11/822044911.db2.gz AHKOVBWSFHRVNV-UHFFFAOYSA-N 0 0 398.341 4.226 20 5 GIBDRN COc1ccc(OC)c([C@@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000181968225 822048413 /nfs/dbraw/zinc/04/84/13/822048413.db2.gz XQZLUCRMYBLBHK-CYBMUJFWSA-N 0 0 383.404 4.118 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000182061584 822078262 /nfs/dbraw/zinc/07/82/62/822078262.db2.gz QDVFHSGAZHPGLQ-ZDUSSCGKSA-N 0 0 394.349 4.040 20 5 GIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182158918 822123021 /nfs/dbraw/zinc/12/30/21/822123021.db2.gz RNMIZPBJECXYOY-UGSOOPFHSA-N 0 0 394.456 4.337 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182158899 822123334 /nfs/dbraw/zinc/12/33/34/822123334.db2.gz RNMIZPBJECXYOY-ACJLOTCBSA-N 0 0 394.456 4.337 20 5 GIBDRN C[C@H](C(=O)N[C@H](c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC000182338172 822207538 /nfs/dbraw/zinc/20/75/38/822207538.db2.gz VAXHPVNVKKALLB-VBKZILBWSA-N 0 0 379.391 4.138 20 5 GIBDRN C[C@@H](C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000182356199 822213728 /nfs/dbraw/zinc/21/37/28/822213728.db2.gz REROHZBDGLZGAL-HIFRSBDPSA-N 0 0 392.452 4.107 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000182431536 822240677 /nfs/dbraw/zinc/24/06/77/822240677.db2.gz UWHJFGSTEOJQJC-CQSZACIVSA-N 0 0 379.775 4.073 20 5 GIBDRN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182434136 822241232 /nfs/dbraw/zinc/24/12/32/822241232.db2.gz MBGPCKQWRHLZAC-UHFFFAOYSA-N 0 0 384.417 4.236 20 5 GIBDRN COc1cc(CNc2ccc(C(C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182440445 822244191 /nfs/dbraw/zinc/24/41/91/822244191.db2.gz PDDWDHCGJWVYMF-UHFFFAOYSA-N 0 0 380.347 4.062 20 5 GIBDRN C[C@@H](C(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000182470866 822255801 /nfs/dbraw/zinc/25/58/01/822255801.db2.gz GZZRVCJKKCGHSL-CYBMUJFWSA-N 0 0 394.406 4.151 20 5 GIBDRN O=C(NCCc1ccccn1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182503558 822271293 /nfs/dbraw/zinc/27/12/93/822271293.db2.gz IMRRDQXJLSNXRK-UHFFFAOYSA-N 0 0 385.489 4.245 20 5 GIBDRN CC[C@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182508752 822274567 /nfs/dbraw/zinc/27/45/67/822274567.db2.gz ROSYYUWCOPJJLC-LBPRGKRZSA-N 0 0 385.367 4.051 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000177997533 822275936 /nfs/dbraw/zinc/27/59/36/822275936.db2.gz BJFULMCLWNTVRS-UHFFFAOYSA-N 0 0 396.403 4.197 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OC2CCCC2)CC1 ZINC000182521121 822280799 /nfs/dbraw/zinc/28/07/99/822280799.db2.gz WHFMSZGQOMITLR-UHFFFAOYSA-N 0 0 398.912 4.291 20 5 GIBDRN CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000182525490 822283161 /nfs/dbraw/zinc/28/31/61/822283161.db2.gz LVLGVWRGCJXCLT-UHFFFAOYSA-N 0 0 382.424 4.103 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(Br)cc1C ZINC000182529214 822285212 /nfs/dbraw/zinc/28/52/12/822285212.db2.gz MKMCQTKLOCGJLM-UHFFFAOYSA-N 0 0 377.238 4.464 20 5 GIBDRN C[C@@H](C(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182531590 822285736 /nfs/dbraw/zinc/28/57/36/822285736.db2.gz WPMFABQVIHNXSV-QVKFZJNVSA-N 0 0 393.418 4.271 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000178061636 822305247 /nfs/dbraw/zinc/30/52/47/822305247.db2.gz SINWOSVLGRDEMA-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN COc1cc(NC(=O)c2cc3ccccc3c3cccnc23)ccc1NC(N)=O ZINC000178077704 822311040 /nfs/dbraw/zinc/31/10/40/822311040.db2.gz BHKIPGZPPJYYHN-UHFFFAOYSA-N 0 0 386.411 4.140 20 5 GIBDRN Cc1csc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000182589455 822313959 /nfs/dbraw/zinc/31/39/59/822313959.db2.gz ZSTZGRRRTQWCKV-LLVKDONJSA-N 0 0 379.507 4.394 20 5 GIBDRN Cc1c(C(=O)N2CCc3cc(Br)cc(F)c32)cccc1[N+](=O)[O-] ZINC000178152419 822335238 /nfs/dbraw/zinc/33/52/38/822335238.db2.gz QQRZUXKPDSHXGW-UHFFFAOYSA-N 0 0 379.185 4.008 20 5 GIBDRN COc1cc(COc2cc(F)ccc2C(C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000182760409 822363586 /nfs/dbraw/zinc/36/35/86/822363586.db2.gz JKZZYGILCUUXFS-UHFFFAOYSA-N 0 0 399.321 4.168 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ncc(-c2ccccc2)o1 ZINC000182811763 822371614 /nfs/dbraw/zinc/37/16/14/822371614.db2.gz CMYZKZKBHINQCA-QWHCGFSZSA-N 0 0 383.379 4.370 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182814051 822371795 /nfs/dbraw/zinc/37/17/95/822371795.db2.gz PCRFXLDAOHWZPQ-CJNGLKHVSA-N 0 0 389.839 4.022 20 5 GIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182814070 822372065 /nfs/dbraw/zinc/37/20/65/822372065.db2.gz PCRFXLDAOHWZPQ-BBRMVZONSA-N 0 0 389.839 4.022 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000045248712 822373487 /nfs/dbraw/zinc/37/34/87/822373487.db2.gz GDWZFAIPTPPYEW-LJQANCHMSA-N 0 0 381.819 4.295 20 5 GIBDRN Cc1csc([C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000182878305 822384434 /nfs/dbraw/zinc/38/44/34/822384434.db2.gz BORMGLCSYKOZOI-HNNXBMFYSA-N 0 0 397.909 4.373 20 5 GIBDRN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000182887524 822386330 /nfs/dbraw/zinc/38/63/30/822386330.db2.gz QKYGFKDISXCDJW-UHFFFAOYSA-N 0 0 384.823 4.015 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000045426721 822387140 /nfs/dbraw/zinc/38/71/40/822387140.db2.gz JXIYOZHSVJZRBD-LBPRGKRZSA-N 0 0 392.839 4.489 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000045426387 822387213 /nfs/dbraw/zinc/38/72/13/822387213.db2.gz KNJUCXVIZYZRDL-INIZCTEOSA-N 0 0 375.428 4.249 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000045426391 822387234 /nfs/dbraw/zinc/38/72/34/822387234.db2.gz KNJUCXVIZYZRDL-MRXNPFEDSA-N 0 0 375.428 4.249 20 5 GIBDRN Cc1ccc(C)c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000045537322 822394413 /nfs/dbraw/zinc/39/44/13/822394413.db2.gz IVOGAPOGCOPNMI-GOSISDBHSA-N 0 0 384.432 4.024 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000178601542 822395601 /nfs/dbraw/zinc/39/56/01/822395601.db2.gz DPHQTRSLMYPQPA-UHFFFAOYSA-N 0 0 381.354 4.169 20 5 GIBDRN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178649498 822399379 /nfs/dbraw/zinc/39/93/79/822399379.db2.gz KPTJMBZGNMXUGU-CYBMUJFWSA-N 0 0 390.461 4.005 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182954967 822399397 /nfs/dbraw/zinc/39/93/97/822399397.db2.gz QEAPYOOKKASDQG-CYBMUJFWSA-N 0 0 399.422 4.149 20 5 GIBDRN CC[C@H](N[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000178676368 822401958 /nfs/dbraw/zinc/40/19/58/822401958.db2.gz GSOFDUKAPILDBP-NHYWBVRUSA-N 0 0 386.477 4.312 20 5 GIBDRN C[C@H](NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178733243 822406170 /nfs/dbraw/zinc/40/61/70/822406170.db2.gz PAMWQBTWTLRUEB-TWOQFEAHSA-N 0 0 383.448 4.123 20 5 GIBDRN Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1O ZINC000178788411 822409842 /nfs/dbraw/zinc/40/98/42/822409842.db2.gz YDMDJIFUJCTLHU-UHFFFAOYSA-N 0 0 397.353 4.377 20 5 GIBDRN CCOC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000183019612 822412331 /nfs/dbraw/zinc/41/23/31/822412331.db2.gz ZXRBDAFHCSDACK-MRXNPFEDSA-N 0 0 392.521 4.376 20 5 GIBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc2O1 ZINC000183040676 822415986 /nfs/dbraw/zinc/41/59/86/822415986.db2.gz CWXQJUIDNFGOLU-LBPRGKRZSA-N 0 0 378.331 4.014 20 5 GIBDRN O=C(NCCc1ccc(Cl)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178853961 822416685 /nfs/dbraw/zinc/41/66/85/822416685.db2.gz KZIIYHQWFLVWMN-UHFFFAOYSA-N 0 0 379.869 4.226 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1)CC(F)F ZINC000183054106 822418089 /nfs/dbraw/zinc/41/80/89/822418089.db2.gz TWSBCMWDCGRDIB-UHFFFAOYSA-N 0 0 386.301 4.104 20 5 GIBDRN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1ccc(-n2cncn2)cc1 ZINC000045876140 822420983 /nfs/dbraw/zinc/42/09/83/822420983.db2.gz LVVZGZQPEPPHNM-MRXNPFEDSA-N 0 0 393.450 4.460 20 5 GIBDRN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2c2cccnc12 ZINC000045880464 822421295 /nfs/dbraw/zinc/42/12/95/822421295.db2.gz CQVYRKNJDAECHG-UHFFFAOYSA-N 0 0 399.450 4.016 20 5 GIBDRN O=C(NCc1ccc(N2CCCC2)nc1)c1cc2ccccc2c2cccnc12 ZINC000045882563 822421560 /nfs/dbraw/zinc/42/15/60/822421560.db2.gz ZUUAKNGGUROHCW-UHFFFAOYSA-N 0 0 382.467 4.313 20 5 GIBDRN C[C@@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000183084429 822422633 /nfs/dbraw/zinc/42/26/33/822422633.db2.gz AGNDEIWJJGKMEE-MRVPVSSYSA-N 0 0 378.410 4.056 20 5 GIBDRN CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCO1 ZINC000178982719 822426275 /nfs/dbraw/zinc/42/62/75/822426275.db2.gz SRMJLOOAGZLTGL-AWEZNQCLSA-N 0 0 386.473 4.433 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000045951480 822426365 /nfs/dbraw/zinc/42/63/65/822426365.db2.gz KCEGMAIPNRGUPY-UHFFFAOYSA-N 0 0 392.415 4.199 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1csc2ccccc12 ZINC000178985297 822426421 /nfs/dbraw/zinc/42/64/21/822426421.db2.gz MXFXVXDLIJPYLJ-UHFFFAOYSA-N 0 0 379.441 4.192 20 5 GIBDRN O=C(Nc1ccccc1OCC(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183127004 822427750 /nfs/dbraw/zinc/42/77/50/822427750.db2.gz SJHULPGDNUGQGL-UHFFFAOYSA-N 0 0 388.273 4.092 20 5 GIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000045964817 822427815 /nfs/dbraw/zinc/42/78/15/822427815.db2.gz KPXGPIMCEUSMIX-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1csc([N+](=O)[O-])c1 ZINC000179021954 822430746 /nfs/dbraw/zinc/43/07/46/822430746.db2.gz JEELKXBXNDBEDE-UHFFFAOYSA-N 0 0 382.323 4.113 20 5 GIBDRN Cc1noc(C)c1COc1ccc(CC(=O)Oc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000045997270 822432331 /nfs/dbraw/zinc/43/23/31/822432331.db2.gz KEQBVZSPHARAPX-UHFFFAOYSA-N 0 0 396.399 4.235 20 5 GIBDRN Cc1ccc(NC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000454138379 822432695 /nfs/dbraw/zinc/43/26/95/822432695.db2.gz CUXIXTAALNWRFH-UHFFFAOYSA-N 0 0 394.353 4.425 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N(Cc1csc(Br)c1)C1CC1 ZINC000179071801 822435187 /nfs/dbraw/zinc/43/51/87/822435187.db2.gz DKPYVSOMVVIYLK-UHFFFAOYSA-N 0 0 387.280 4.285 20 5 GIBDRN CN(C(=O)CCc1cc(F)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000183198393 822440057 /nfs/dbraw/zinc/44/00/57/822440057.db2.gz XQNLSPKBLOBFHP-UHFFFAOYSA-N 0 0 381.201 4.092 20 5 GIBDRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046136599 822443485 /nfs/dbraw/zinc/44/34/85/822443485.db2.gz FXVPWTUIWHIFJL-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3[N+](=O)[O-])c21 ZINC000046136073 822443629 /nfs/dbraw/zinc/44/36/29/822443629.db2.gz VQXJMHPFFCLLMG-UHFFFAOYSA-N 0 0 380.404 4.062 20 5 GIBDRN COc1ccc(CS(=O)(=O)Cc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000179162193 822445819 /nfs/dbraw/zinc/44/58/19/822445819.db2.gz JZRMVHXRGJWKGE-UHFFFAOYSA-N 0 0 390.244 4.025 20 5 GIBDRN Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cs2)o1 ZINC000046162436 822445969 /nfs/dbraw/zinc/44/59/69/822445969.db2.gz INPCRTBYTDQHJU-UHFFFAOYSA-N 0 0 377.809 4.454 20 5 GIBDRN C[C@H](NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000454268009 822446832 /nfs/dbraw/zinc/44/68/32/822446832.db2.gz PHRGWJHOFVQSPL-LBPRGKRZSA-N 0 0 397.353 4.096 20 5 GIBDRN C[C@H](C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183241705 822447169 /nfs/dbraw/zinc/44/71/69/822447169.db2.gz ZIHZRIHGIIBJBB-DKICVRJWSA-N 0 0 386.423 4.122 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCCCC(F)(F)F ZINC000179176263 822447433 /nfs/dbraw/zinc/44/74/33/822447433.db2.gz FWIWOIBEQFOIKY-UHFFFAOYSA-N 0 0 377.362 4.431 20 5 GIBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)on1 ZINC000183254947 822448956 /nfs/dbraw/zinc/44/89/56/822448956.db2.gz JLHDCXQMKAMOQN-UHFFFAOYSA-N 0 0 375.450 4.104 20 5 GIBDRN COc1ccc(C)cc1C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179233630 822454875 /nfs/dbraw/zinc/45/48/75/822454875.db2.gz FTRWFLUKQIDFPE-HHHXNRCGSA-N 0 0 386.429 4.016 20 5 GIBDRN COc1cccc([C@H](C)NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454309900 822456122 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822600412 /nfs/dbraw/zinc/60/04/12/822600412.db2.gz UFGBUYMKXZCNGK-JKSUJKDBSA-N 0 0 379.775 4.039 20 5 GIBDRN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455189905 822604494 /nfs/dbraw/zinc/60/44/94/822604494.db2.gz JXWVNYQIGOGVAO-YOEHRIQHSA-N 0 0 383.452 4.174 20 5 GIBDRN COc1cc(CN2CCC[C@H]2CC(=O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000184264955 822605428 /nfs/dbraw/zinc/60/54/28/822605428.db2.gz HQKRLWMVPFFJRF-ZDUSSCGKSA-N 0 0 378.425 4.041 20 5 GIBDRN C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000455207840 822608803 /nfs/dbraw/zinc/60/88/03/822608803.db2.gz LWRWBGXXTYEZMF-PBHICJAKSA-N 0 0 383.452 4.174 20 5 GIBDRN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Cl ZINC000184308881 822612249 /nfs/dbraw/zinc/61/22/49/822612249.db2.gz LKLDAOMUBOTHFJ-RYUDHWBXSA-N 0 0 380.803 4.075 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H](c1nccs1)c1ccccc1 ZINC000180093408 822613904 /nfs/dbraw/zinc/61/39/04/822613904.db2.gz QWFGWDBSWBULKE-LJQANCHMSA-N 0 0 393.424 4.408 20 5 GIBDRN Cc1cc(C)n(-c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2F)n1 ZINC000047860036 822614390 /nfs/dbraw/zinc/61/43/90/822614390.db2.gz PSNJULODCCUFBS-UHFFFAOYSA-N 0 0 397.410 4.200 20 5 GIBDRN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000047865380 822615189 /nfs/dbraw/zinc/61/51/89/822615189.db2.gz RIFOFJUDSNLMCC-OAHLLOKOSA-N 0 0 377.347 4.347 20 5 GIBDRN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000047865383 822615228 /nfs/dbraw/zinc/61/52/28/822615228.db2.gz RIFOFJUDSNLMCC-HNNXBMFYSA-N 0 0 377.347 4.347 20 5 GIBDRN O=C(CSc1ccc(O)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000047884383 822616216 /nfs/dbraw/zinc/61/62/16/822616216.db2.gz GEWCOXWKKSOPLM-UHFFFAOYSA-N 0 0 387.442 4.155 20 5 GIBDRN CC(C)(NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000180135777 822623551 /nfs/dbraw/zinc/62/35/51/822623551.db2.gz YDZWPGPGPMNRKD-MRXNPFEDSA-N 0 0 397.258 4.377 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184373981 822624142 /nfs/dbraw/zinc/62/41/42/822624142.db2.gz DOCJPLCTYBROPC-OLZOCXBDSA-N 0 0 382.441 4.182 20 5 GIBDRN CCCCc1nc(CS(=O)(=O)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000180141556 822624946 /nfs/dbraw/zinc/62/49/46/822624946.db2.gz VSDNMNMECREWOJ-ZDUSSCGKSA-N 0 0 382.507 4.378 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cccc(OC(F)F)c1 ZINC000180144219 822625740 /nfs/dbraw/zinc/62/57/40/822625740.db2.gz RFHVHTLXRXAIDE-GFCCVEGCSA-N 0 0 385.388 4.181 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1OC(F)(F)F ZINC000180156404 822628767 /nfs/dbraw/zinc/62/87/67/822628767.db2.gz CEFZUKXPLSSEML-UHFFFAOYSA-N 0 0 392.236 4.347 20 5 GIBDRN COc1cc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000184403870 822629094 /nfs/dbraw/zinc/62/90/94/822629094.db2.gz IICOMKHBAXUFRQ-OAHLLOKOSA-N 0 0 394.271 4.414 20 5 GIBDRN CC(C)Sc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184416155 822630934 /nfs/dbraw/zinc/63/09/34/822630934.db2.gz HHGJCZZACSJLIP-AWEZNQCLSA-N 0 0 394.518 4.276 20 5 GIBDRN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000184415725 822630943 /nfs/dbraw/zinc/63/09/43/822630943.db2.gz IUXIOGAVJSSLRD-WBVHZDCISA-N 0 0 382.441 4.460 20 5 GIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000184451286 822637432 /nfs/dbraw/zinc/63/74/32/822637432.db2.gz RGOMQYYKLJIIFF-FQEVSTJZSA-N 0 0 399.472 4.133 20 5 GIBDRN COc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)c(OC)c1 ZINC000455389871 822645160 /nfs/dbraw/zinc/64/51/60/822645160.db2.gz WZGAGSDUMBMMKN-INIZCTEOSA-N 0 0 399.447 4.332 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000455417498 822650088 /nfs/dbraw/zinc/65/00/88/822650088.db2.gz QCHZOSDXBRGOBA-VQIMIIECSA-N 0 0 398.463 4.329 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000455419953 822650419 /nfs/dbraw/zinc/65/04/19/822650419.db2.gz RXOOEZCOJSSBQJ-UHFFFAOYSA-N 0 0 389.496 4.441 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000455421109 822650639 /nfs/dbraw/zinc/65/06/39/822650639.db2.gz UVBUFVDBYVAIKK-SUMDDJOVSA-N 0 0 389.496 4.440 20 5 GIBDRN Cc1ccc(O[C@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000180290207 822656862 /nfs/dbraw/zinc/65/68/62/822656862.db2.gz KYHLNRBXWHNWHE-CQSZACIVSA-N 0 0 397.456 4.457 20 5 GIBDRN CCS[C@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)C(C)C ZINC000180290946 822657046 /nfs/dbraw/zinc/65/70/46/822657046.db2.gz IAHIEVSSBOTMIJ-HNNXBMFYSA-N 0 0 379.507 4.459 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCSC[C@@H]1c1nccs1 ZINC000184560224 822657627 /nfs/dbraw/zinc/65/76/27/822657627.db2.gz ADUMNRKBCOXVOI-GFCCVEGCSA-N 0 0 391.499 4.196 20 5 GIBDRN COCc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000180296106 822658395 /nfs/dbraw/zinc/65/83/95/822658395.db2.gz NYEQREUAQXTSSQ-UHFFFAOYSA-N 0 0 383.429 4.141 20 5 GIBDRN CCO[C@@H](C)C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180299753 822659243 /nfs/dbraw/zinc/65/92/43/822659243.db2.gz CYRMSDXWUMKANO-ZDUSSCGKSA-N 0 0 377.466 4.132 20 5 GIBDRN COc1ccc(C)cc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180323655 822663391 /nfs/dbraw/zinc/66/33/91/822663391.db2.gz PCFRWLXPCLEDFU-UHFFFAOYSA-N 0 0 382.363 4.176 20 5 GIBDRN C[C@@H]1CC(C)(C)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000180325008 822663561 /nfs/dbraw/zinc/66/35/61/822663561.db2.gz HNRVAKQWJAGCJZ-CQSZACIVSA-N 0 0 391.431 4.108 20 5 GIBDRN Cc1cc(NC(=O)N2Cc3cccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000184602442 822664259 /nfs/dbraw/zinc/66/42/59/822664259.db2.gz XVVZGBUXOXHJQI-UHFFFAOYSA-N 0 0 376.210 4.213 20 5 GIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000184626805 822667807 /nfs/dbraw/zinc/66/78/07/822667807.db2.gz HBXIEMGFTICFEA-UONOGXRCSA-N 0 0 396.422 4.209 20 5 GIBDRN C[C@H](CO)[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184651229 822670997 /nfs/dbraw/zinc/67/09/97/822670997.db2.gz SIOJMELBFSIDKH-NEPJUHHUSA-N 0 0 394.880 4.146 20 5 GIBDRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000180377587 822672227 /nfs/dbraw/zinc/67/22/27/822672227.db2.gz KOGDYHMVFQFPBF-CYBMUJFWSA-N 0 0 390.264 4.230 20 5 GIBDRN C[C@@H](C(=O)Nc1c(-c2ccco2)nc2ccccn21)c1ccc([N+](=O)[O-])cc1F ZINC000184666965 822673123 /nfs/dbraw/zinc/67/31/23/822673123.db2.gz KTNBPYFUBSBNHO-GFCCVEGCSA-N 0 0 394.362 4.384 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000184677985 822674844 /nfs/dbraw/zinc/67/48/44/822674844.db2.gz GVHLEXVUGQUHMS-OAHLLOKOSA-N 0 0 395.434 4.369 20 5 GIBDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000180395118 822675220 /nfs/dbraw/zinc/67/52/20/822675220.db2.gz JBXMZIKFRLRWRA-UHFFFAOYSA-N 0 0 389.383 4.262 20 5 GIBDRN COc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1C ZINC000455578743 822677658 /nfs/dbraw/zinc/67/76/58/822677658.db2.gz PLCSEKRPAPYIRN-UHFFFAOYSA-N 0 0 387.436 4.363 20 5 GIBDRN C[C@H](C(=O)Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000184704680 822679459 /nfs/dbraw/zinc/67/94/59/822679459.db2.gz JWLVPMHPVYSJJF-JTQLQIEISA-N 0 0 387.392 4.305 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000184710151 822680407 /nfs/dbraw/zinc/68/04/07/822680407.db2.gz MAUYCOVHQJXRCH-QGZVFWFLSA-N 0 0 394.475 4.131 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1 ZINC000180453572 822685266 /nfs/dbraw/zinc/68/52/66/822685266.db2.gz BLNLYGHECYGBOI-UHFFFAOYSA-N 0 0 390.395 4.458 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184754532 822686176 /nfs/dbraw/zinc/68/61/76/822686176.db2.gz HYRJWRHERCXUDE-CYBMUJFWSA-N 0 0 397.410 4.316 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc1SC ZINC000180503968 822692202 /nfs/dbraw/zinc/69/22/02/822692202.db2.gz FMIZJZQHEGHERP-ZDUSSCGKSA-N 0 0 394.415 4.422 20 5 GIBDRN C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184809365 822693888 /nfs/dbraw/zinc/69/38/88/822693888.db2.gz QTDTZOVAKQMUFA-OAHLLOKOSA-N 0 0 385.439 4.096 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1[N+](=O)[O-] ZINC000180547927 822700079 /nfs/dbraw/zinc/70/00/79/822700079.db2.gz YAAPRKXFFOGQMW-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN COc1cc(C(=O)N2CCCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000049726807 822706576 /nfs/dbraw/zinc/70/65/76/822706576.db2.gz QAGLLYJNFWNLDP-UHFFFAOYSA-N 0 0 392.358 4.188 20 5 GIBDRN CC(C)N(C)C(=O)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000049743439 822706987 /nfs/dbraw/zinc/70/69/87/822706987.db2.gz FKPPHUQIIITVJS-UHFFFAOYSA-N 0 0 389.499 4.107 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccncc1 ZINC000049765194 822708042 /nfs/dbraw/zinc/70/80/42/822708042.db2.gz UMKXVKVSWBMSHQ-IBGZPJMESA-N 0 0 394.475 4.348 20 5 GIBDRN Cn1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000455717043 822711915 /nfs/dbraw/zinc/71/19/15/822711915.db2.gz JOAZJQCAHRQSDG-UHFFFAOYSA-N 0 0 385.468 4.433 20 5 GIBDRN Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000184913015 822712189 /nfs/dbraw/zinc/71/21/89/822712189.db2.gz LNRRFPRZMOMQPM-QGZVFWFLSA-N 0 0 375.812 4.162 20 5 GIBDRN COc1ccccc1Oc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180612448 822712352 /nfs/dbraw/zinc/71/23/52/822712352.db2.gz UAEJEFCDAUPQFP-UHFFFAOYSA-N 0 0 379.372 4.230 20 5 GIBDRN Cc1cc(Cl)c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000455742229 822717967 /nfs/dbraw/zinc/71/79/67/822717967.db2.gz HQJGYZNDDCJZPT-UHFFFAOYSA-N 0 0 375.812 4.292 20 5 GIBDRN Cc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1[N+](=O)[O-] ZINC000050292820 822724097 /nfs/dbraw/zinc/72/40/97/822724097.db2.gz ICCAWCNYLIWULQ-UHFFFAOYSA-N 0 0 384.373 4.187 20 5 GIBDRN COCCOc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000185009606 822724908 /nfs/dbraw/zinc/72/49/08/822724908.db2.gz SROWMLZBMGTEOS-UHFFFAOYSA-N 0 0 378.812 4.143 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000050355080 822727197 /nfs/dbraw/zinc/72/71/97/822727197.db2.gz PUSQZVRQGKVHNL-HFZWIWRYSA-N 0 0 383.473 4.369 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](c2ccccc2)C1 ZINC000050356616 822727348 /nfs/dbraw/zinc/72/73/48/822727348.db2.gz XYBOYLHINBVMHN-INIZCTEOSA-N 0 0 379.441 4.348 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc(Br)cnc2C)cc1[N+](=O)[O-] ZINC000455798495 822728627 /nfs/dbraw/zinc/72/86/27/822728627.db2.gz JSGNUDRCKQYASM-JTQLQIEISA-N 0 0 393.241 4.252 20 5 GIBDRN CCOc1ccc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000050550682 822733324 /nfs/dbraw/zinc/73/33/24/822733324.db2.gz HIBQQYRHVUEWLT-UHFFFAOYSA-N 0 0 397.456 4.389 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000185234350 822752735 /nfs/dbraw/zinc/75/27/35/822752735.db2.gz FKTWREDAHJLHIC-GOSISDBHSA-N 0 0 397.475 4.219 20 5 GIBDRN C[C@H](NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000051279191 822753824 /nfs/dbraw/zinc/75/38/24/822753824.db2.gz UQKFWOFVPPNIHI-LDQXTDLNSA-N 0 0 397.475 4.465 20 5 GIBDRN C[C@@H](C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000185255504 822755362 /nfs/dbraw/zinc/75/53/62/822755362.db2.gz KCJNMXBXRZRLLL-JLTOFOAXSA-N 0 0 385.439 4.267 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000185266030 822756891 /nfs/dbraw/zinc/75/68/91/822756891.db2.gz SFOJUKIFFGWAMW-CQSZACIVSA-N 0 0 381.354 4.154 20 5 GIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1scnc1C1CCCC1 ZINC000185281081 822758915 /nfs/dbraw/zinc/75/89/15/822758915.db2.gz BGJKVTHWWDYTPT-UHFFFAOYSA-N 0 0 383.433 4.351 20 5 GIBDRN O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185304563 822762666 /nfs/dbraw/zinc/76/26/66/822762666.db2.gz CLSGLRVQYQJUOG-HZPDHXFCSA-N 0 0 390.361 4.307 20 5 GIBDRN O=[N+]([O-])c1ccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1 ZINC000185375847 822774545 /nfs/dbraw/zinc/77/45/45/822774545.db2.gz FKZSIVWLYVKPBU-UHFFFAOYSA-N 0 0 377.448 4.116 20 5 GIBDRN O=[N+]([O-])c1cccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000185387994 822776826 /nfs/dbraw/zinc/77/68/26/822776826.db2.gz QOSCLEKGBQCNCL-UHFFFAOYSA-N 0 0 377.448 4.116 20 5 GIBDRN C[C@H](C(=O)N1CCC(c2c[nH]c3ncccc32)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185430816 822783039 /nfs/dbraw/zinc/78/30/39/822783039.db2.gz MEFNSBCAFUDMIF-ZDUSSCGKSA-N 0 0 396.422 4.120 20 5 GIBDRN COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cc1OC ZINC000456170136 822786117 /nfs/dbraw/zinc/78/61/17/822786117.db2.gz BKFUAYSDSLDCDN-UHFFFAOYSA-N 0 0 387.436 4.004 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000456173365 822786257 /nfs/dbraw/zinc/78/62/57/822786257.db2.gz FYXWTPGVGFNNKV-UHFFFAOYSA-N 0 0 387.440 4.027 20 5 GIBDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000185455388 822786680 /nfs/dbraw/zinc/78/66/80/822786680.db2.gz 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O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456252671 822790361 /nfs/dbraw/zinc/79/03/61/822790361.db2.gz MZBAXKXUXVMYMG-UTKZUKDTSA-N 0 0 394.421 4.220 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ccnc(OCC(F)(F)F)c2)c2ccncc21 ZINC000052105776 822790524 /nfs/dbraw/zinc/79/05/24/822790524.db2.gz GJFXNJFTKXQWFM-UHFFFAOYSA-N 0 0 378.310 4.091 20 5 GIBDRN Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185511973 822792069 /nfs/dbraw/zinc/79/20/69/822792069.db2.gz KVLRORFAMRPOHI-UHFFFAOYSA-N 0 0 376.844 4.253 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Nc4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000185522919 822793330 /nfs/dbraw/zinc/79/33/30/822793330.db2.gz DXPZHWLZPIWDKU-CQSZACIVSA-N 0 0 379.420 4.191 20 5 GIBDRN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000174464357 822793880 /nfs/dbraw/zinc/79/38/80/822793880.db2.gz UDMBNGGBFJJYAE-PIGZYNQJSA-N 0 0 393.802 4.381 20 5 GIBDRN COCC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000456285398 822794310 /nfs/dbraw/zinc/79/43/10/822794310.db2.gz JMKLAQWAFGMPFB-MRXNPFEDSA-N 0 0 396.365 4.050 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000185539669 822794816 /nfs/dbraw/zinc/79/48/16/822794816.db2.gz INHWFLGUDMGWKG-JQVVWYNYSA-N 0 0 396.487 4.448 20 5 GIBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000052314168 822795967 /nfs/dbraw/zinc/79/59/67/822795967.db2.gz JHZZSHLSELJRFN-AWEZNQCLSA-N 0 0 394.406 4.483 20 5 GIBDRN COCCOc1ccc([C@H](C)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1OC ZINC000052359723 822797157 /nfs/dbraw/zinc/79/71/57/822797157.db2.gz GJMTXFFDUZAGRF-ZDUSSCGKSA-N 0 0 388.420 4.004 20 5 GIBDRN CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174502028 822797655 /nfs/dbraw/zinc/79/76/55/822797655.db2.gz PYKKWJDVDQTREL-IMJJTQAJSA-N 0 0 388.445 4.079 20 5 GIBDRN Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1[N+](=O)[O-] ZINC000052427771 822798977 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GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OCC ZINC000052606335 822804878 /nfs/dbraw/zinc/80/48/78/822804878.db2.gz WPEDRELHTRJSLJ-CYBMUJFWSA-N 0 0 397.431 4.365 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000052614312 822805296 /nfs/dbraw/zinc/80/52/96/822805296.db2.gz HNAZQZNNQWBRQP-HXUWFJFHSA-N 0 0 379.416 4.452 20 5 GIBDRN CC(C)c1ncsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456433776 822806686 /nfs/dbraw/zinc/80/66/86/822806686.db2.gz GQFHPLNTHQOLRN-UHFFFAOYSA-N 0 0 384.255 4.118 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC2CCc3ccccc3CC2)cc1SC ZINC000456456064 822808383 /nfs/dbraw/zinc/80/83/83/822808383.db2.gz LOOAHSBLUKPQOD-UHFFFAOYSA-N 0 0 386.473 4.003 20 5 GIBDRN CC(C)(C)C(=O)N1CCC(COc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000185696558 822810994 /nfs/dbraw/zinc/81/09/94/822810994.db2.gz MLWVQIFBAYXSCI-UHFFFAOYSA-N 0 0 399.285 4.021 20 5 GIBDRN O=C(N[C@H]1CCCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185708654 822812623 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392.521 4.376 20 5 GIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1C ZINC000456709824 822825659 /nfs/dbraw/zinc/82/56/59/822825659.db2.gz UVVJXUIBWMDRRX-QGZVFWFLSA-N 0 0 394.431 4.156 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456717324 822826456 /nfs/dbraw/zinc/82/64/56/822826456.db2.gz XZNQEUXGMSRIHN-SFHVURJKSA-N 0 0 398.850 4.421 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456717526 822826493 /nfs/dbraw/zinc/82/64/93/822826493.db2.gz YDTZPQNEPASAQC-GOSISDBHSA-N 0 0 396.472 4.317 20 5 GIBDRN O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174738815 822830711 /nfs/dbraw/zinc/83/07/11/822830711.db2.gz ZHUOOTXCRKYZPT-OAQYLSRUSA-N 0 0 395.459 4.299 20 5 GIBDRN CC(C)c1ccc(CNc2nnc([C@H]3COc4ccccc4O3)o2)cc1[N+](=O)[O-] ZINC000185900827 822831397 /nfs/dbraw/zinc/83/13/97/822831397.db2.gz XCIJFNNBFNQJBC-GOSISDBHSA-N 0 0 396.403 4.226 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185908169 822832320 /nfs/dbraw/zinc/83/23/20/822832320.db2.gz QGKGTCCOQUATGF-GOSISDBHSA-N 0 0 389.839 4.470 20 5 GIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053416583 822833747 /nfs/dbraw/zinc/83/37/47/822833747.db2.gz VBAVYSUWVJNEBM-JTQLQIEISA-N 0 0 397.656 4.372 20 5 GIBDRN CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(C(F)(F)F)cs1 ZINC000185942141 822835687 /nfs/dbraw/zinc/83/56/87/822835687.db2.gz NBDBYHFFNDYHTJ-VIFPVBQESA-N 0 0 386.355 4.452 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053456613 822835773 /nfs/dbraw/zinc/83/57/73/822835773.db2.gz BECVGJZJJBBAOP-VYDXJSESSA-N 0 0 382.464 4.471 20 5 GIBDRN CSc1ccc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053481830 822837145 /nfs/dbraw/zinc/83/71/45/822837145.db2.gz MFGYOQMUVNDABL-CYBMUJFWSA-N 0 0 396.472 4.208 20 5 GIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@]2(CCSC2)C1 ZINC000456853603 822838156 /nfs/dbraw/zinc/83/81/56/822838156.db2.gz XECBFGYUYHKGSX-JOCHJYFZSA-N 0 0 378.497 4.041 20 5 GIBDRN COc1ccc(F)cc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000185980005 822840494 /nfs/dbraw/zinc/84/04/94/822840494.db2.gz CGAPWQVMIGTHQM-UHFFFAOYSA-N 0 0 387.392 4.047 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3nnc(-c4cccs4)o3)cs2)c1 ZINC000186004154 822843063 /nfs/dbraw/zinc/84/30/63/822843063.db2.gz PFDFMWQNVZZWLZ-UHFFFAOYSA-N 0 0 385.430 4.442 20 5 GIBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000174853368 822846648 /nfs/dbraw/zinc/84/66/48/822846648.db2.gz RXFBDBQVLCLHMB-LJQANCHMSA-N 0 0 378.831 4.333 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000457084928 822851434 /nfs/dbraw/zinc/85/14/34/822851434.db2.gz NJDHCFIOCCPICB-GOSISDBHSA-N 0 0 397.475 4.096 20 5 GIBDRN Cc1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C ZINC000054005435 822856892 /nfs/dbraw/zinc/85/68/92/822856892.db2.gz QNMYTIHBQMTRMI-GOSISDBHSA-N 0 0 399.447 4.416 20 5 GIBDRN CC1(C)C[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000457167181 822858439 /nfs/dbraw/zinc/85/84/39/822858439.db2.gz VQWFKQRAXIZPFO-QGZVFWFLSA-N 0 0 397.475 4.142 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000457210560 822860907 /nfs/dbraw/zinc/86/09/07/822860907.db2.gz DGRMCOQKGOOZDM-LHSJRXKWSA-N 0 0 394.475 4.471 20 5 GIBDRN CC(C)Oc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000054079149 822861547 /nfs/dbraw/zinc/86/15/47/822861547.db2.gz WXGPKTVSNCYJIV-UHFFFAOYSA-N 0 0 380.404 4.035 20 5 GIBDRN C[C@@H](C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000186221841 822862038 /nfs/dbraw/zinc/86/20/38/822862038.db2.gz ATLSPEXNTLPQSK-XIKOKIGWSA-N 0 0 392.814 4.091 20 5 GIBDRN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054136610 822863639 /nfs/dbraw/zinc/86/36/39/822863639.db2.gz QHLXHNPANVFILX-UHFFFAOYSA-N 0 0 380.379 4.186 20 5 GIBDRN 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O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000175396147 822958170 /nfs/dbraw/zinc/95/81/70/822958170.db2.gz HLEWTGMGLNDIQK-UHFFFAOYSA-N 0 0 381.432 4.295 20 5 GIBDRN CC(C)(NC(=O)NCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000175399985 822959499 /nfs/dbraw/zinc/95/94/99/822959499.db2.gz VZNGUVSXDSFKNN-UHFFFAOYSA-N 0 0 398.282 4.153 20 5 GIBDRN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000569738965 822961538 /nfs/dbraw/zinc/96/15/38/822961538.db2.gz GYIWXYNUWBZHHS-RHSMWYFYSA-N 0 0 394.349 4.264 20 5 GIBDRN Cn1nc(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1C1CC1 ZINC000569742947 822962105 /nfs/dbraw/zinc/96/21/05/822962105.db2.gz NXQZOIDBSUTVLI-UHFFFAOYSA-N 0 0 393.403 4.064 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@H]1C[C@H]1C ZINC000569760616 822964855 /nfs/dbraw/zinc/96/48/55/822964855.db2.gz QELNWAOBFQYLGI-ODXCJYRJSA-N 0 0 392.415 4.090 20 5 GIBDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055464542 822966603 /nfs/dbraw/zinc/96/66/03/822966603.db2.gz GJICDFICGDKILY-NEPJUHHUSA-N 0 0 393.237 4.002 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(C)C)c2)cc1OC ZINC000055468072 822967340 /nfs/dbraw/zinc/96/73/40/822967340.db2.gz RIZQYSLGEAAQCR-UHFFFAOYSA-N 0 0 388.420 4.289 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCS[C@H]2CCCC[C@H]21 ZINC000175434983 822968026 /nfs/dbraw/zinc/96/80/26/822968026.db2.gz HZZAQAUFMLSEMG-RTWAWAEBSA-N 0 0 392.524 4.041 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c1[N+](=O)[O-] ZINC000186872453 822972185 /nfs/dbraw/zinc/97/21/85/822972185.db2.gz DITAOZPNIGHTCE-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CCC[C@H]3c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC000055515233 822973149 /nfs/dbraw/zinc/97/31/49/822973149.db2.gz WFIDQDKJWSMBGT-IBGZPJMESA-N 0 0 394.475 4.203 20 5 GIBDRN Cc1noc(CSc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000055557083 822978225 /nfs/dbraw/zinc/97/82/25/822978225.db2.gz GTVYYRZDBORQJP-UHFFFAOYSA-N 0 0 384.417 4.139 20 5 GIBDRN COCc1c(Br)cccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569873599 822979135 /nfs/dbraw/zinc/97/91/35/822979135.db2.gz GTGILRYOHREONB-LLVKDONJSA-N 0 0 393.237 4.246 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000055604831 822986179 /nfs/dbraw/zinc/98/61/79/822986179.db2.gz PLSXQSBFBNUGQN-LBPRGKRZSA-N 0 0 383.360 4.473 20 5 GIBDRN CC[C@H](C)Oc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000055642448 822991174 /nfs/dbraw/zinc/99/11/74/822991174.db2.gz XCWOTUCUDYXXPZ-AWEZNQCLSA-N 0 0 394.431 4.425 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186994978 822993914 /nfs/dbraw/zinc/99/39/14/822993914.db2.gz HIZWQSTZNCZCDN-HXUWFJFHSA-N 0 0 380.425 4.081 20 5 GIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000570004677 822995593 /nfs/dbraw/zinc/99/55/93/822995593.db2.gz IKPUBJBUWOPDRV-UHFFFAOYSA-N 0 0 393.365 4.490 20 5 GIBDRN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175552354 822995858 /nfs/dbraw/zinc/99/58/58/822995858.db2.gz WJFXORSIEQURDG-MRXNPFEDSA-N 0 0 375.222 4.238 20 5 GIBDRN COCCOc1cc(C)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000055702232 823000877 /nfs/dbraw/zinc/00/08/77/823000877.db2.gz GDWHWQQFKMAVEW-CQSZACIVSA-N 0 0 390.461 4.048 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Br)c(F)cc1Cl ZINC000175576000 823000903 /nfs/dbraw/zinc/00/09/03/823000903.db2.gz RGBBLSCHIYTCES-UHFFFAOYSA-N 0 0 387.592 4.331 20 5 GIBDRN CC(C)c1noc(Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)n1 ZINC000570061288 823001918 /nfs/dbraw/zinc/00/19/18/823001918.db2.gz JQGCQAIDPIEHDC-UHFFFAOYSA-N 0 0 384.367 4.083 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@@H]1c1nccs1 ZINC000187037912 823002252 /nfs/dbraw/zinc/00/22/52/823002252.db2.gz KSMKXBMEMMGRPN-OAHLLOKOSA-N 0 0 379.507 4.129 20 5 GIBDRN COc1cccc(F)c1[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175590499 823003339 /nfs/dbraw/zinc/00/33/39/823003339.db2.gz JVPPLMLNDJSCDK-LBPRGKRZSA-N 0 0 375.400 4.038 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000175601737 823004917 /nfs/dbraw/zinc/00/49/17/823004917.db2.gz MBCRNJPNUMWPAR-GFCCVEGCSA-N 0 0 379.363 4.065 20 5 GIBDRN O=C(Nc1cccc(OC(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175617012 823007306 /nfs/dbraw/zinc/00/73/06/823007306.db2.gz PKLQCFLCHDOCGY-UHFFFAOYSA-N 0 0 387.136 4.211 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)c2ncsc2Br)cc1[N+](=O)[O-] ZINC000570122764 823007895 /nfs/dbraw/zinc/00/78/95/823007895.db2.gz CCEBOUXEMCOJSD-UHFFFAOYSA-N 0 0 384.255 4.364 20 5 GIBDRN C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](c2ccco2)C1 ZINC000175627303 823009201 /nfs/dbraw/zinc/00/92/01/823009201.db2.gz YHTPUGXPIJHNOQ-UZLBHIALSA-N 0 0 397.475 4.404 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000175627619 823009346 /nfs/dbraw/zinc/00/93/46/823009346.db2.gz DRAXQFAWJUCHFH-OLZOCXBDSA-N 0 0 375.400 4.172 20 5 GIBDRN CCCCOc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000570185160 823013202 /nfs/dbraw/zinc/01/32/02/823013202.db2.gz QLAYOXCCWNNJDF-UHFFFAOYSA-N 0 0 386.448 4.097 20 5 GIBDRN Cc1nc([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000187122806 823013917 /nfs/dbraw/zinc/01/39/17/823013917.db2.gz IGOGRWBOGLQZNU-CQSZACIVSA-N 0 0 395.868 4.146 20 5 GIBDRN COC(=O)c1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])sc2c1CCCC2 ZINC000175658762 823014554 /nfs/dbraw/zinc/01/45/54/823014554.db2.gz LLSKANUGRHCTLH-UHFFFAOYSA-N 0 0 394.836 4.227 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000570238393 823017660 /nfs/dbraw/zinc/01/76/60/823017660.db2.gz XNKBXVMVDGBKLT-TZMCWYRMSA-N 0 0 390.823 4.158 20 5 GIBDRN COC1(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCCCC1 ZINC000187149869 823017845 /nfs/dbraw/zinc/01/78/45/823017845.db2.gz ZKWMEPTZJBIRSO-UHFFFAOYSA-N 0 0 375.450 4.030 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735762 823029285 /nfs/dbraw/zinc/02/92/85/823029285.db2.gz DGGGZJCNWWEZJK-HOTGVXAUSA-N 0 0 385.489 4.480 20 5 GIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000175737474 823029487 /nfs/dbraw/zinc/02/94/87/823029487.db2.gz LQXUHXYFKIZCMY-DGCLKSJQSA-N 0 0 376.482 4.386 20 5 GIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000175737437 823029563 /nfs/dbraw/zinc/02/95/63/823029563.db2.gz LQXUHXYFKIZCMY-WCQYABFASA-N 0 0 376.482 4.386 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000175738382 823029788 /nfs/dbraw/zinc/02/97/88/823029788.db2.gz TZMDOMPRNVHQIB-LRQRDZAKSA-N 0 0 397.475 4.431 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000175738418 823029857 /nfs/dbraw/zinc/02/98/57/823029857.db2.gz TZMDOMPRNVHQIB-SCWSEQNSSA-N 0 0 397.475 4.431 20 5 GIBDRN CCOc1cc(CNc2cccc(CC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000570381461 823031728 /nfs/dbraw/zinc/03/17/28/823031728.db2.gz SAHHTJJIWVJBNT-UHFFFAOYSA-N 0 0 386.448 4.490 20 5 GIBDRN CN(C(=O)c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000055729678 823033798 /nfs/dbraw/zinc/03/37/98/823033798.db2.gz QCZYPYYBQZSFCC-UHFFFAOYSA-N 0 0 381.413 4.185 20 5 GIBDRN O=C(NCCOc1cccc(Cl)c1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055731899 823034091 /nfs/dbraw/zinc/03/40/91/823034091.db2.gz RJIQHTXVHHLOJZ-UHFFFAOYSA-N 0 0 389.622 4.364 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccs1)c1ccc(F)cc1F ZINC000055751744 823036831 /nfs/dbraw/zinc/03/68/31/823036831.db2.gz WQUMPNJDZLUIAS-UHFFFAOYSA-N 0 0 389.383 4.485 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000055753881 823037697 /nfs/dbraw/zinc/03/76/97/823037697.db2.gz LKVOOFKQRXYGQJ-HNNXBMFYSA-N 0 0 381.432 4.170 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000055754830 823038131 /nfs/dbraw/zinc/03/81/31/823038131.db2.gz NAWCSEWHJRSKQD-GFCCVEGCSA-N 0 0 387.461 4.232 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N3CC4(CCC4(F)F)C3)c([N+](=O)[O-])c2)cc1 ZINC000570442173 823039061 /nfs/dbraw/zinc/03/90/61/823039061.db2.gz FKELPPLEZRSIPB-UHFFFAOYSA-N 0 0 387.386 4.391 20 5 GIBDRN Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055768951 823040989 /nfs/dbraw/zinc/04/09/89/823040989.db2.gz BNIZPGWCONBGFD-UHFFFAOYSA-N 0 0 380.404 4.128 20 5 GIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000570464551 823041082 /nfs/dbraw/zinc/04/10/82/823041082.db2.gz PQGMXMNZKSOULK-IFXJQAMLSA-N 0 0 378.432 4.247 20 5 GIBDRN CCOc1cc(C(=O)N2CCCc3ccc(F)c(C)c32)c([N+](=O)[O-])cc1OC ZINC000411082711 823542877 /nfs/dbraw/zinc/54/28/77/823542877.db2.gz BRJKXYKNJFHFIG-UHFFFAOYSA-N 0 0 388.395 4.043 20 5 GIBDRN COc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 ZINC000123862716 823547049 /nfs/dbraw/zinc/54/70/49/823547049.db2.gz QMYNTUKZJQSYBE-UHFFFAOYSA-N 0 0 387.392 4.047 20 5 GIBDRN Cc1cc(F)cc(C(=O)N(C)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000123903423 823550304 /nfs/dbraw/zinc/55/03/04/823550304.db2.gz OACWSZYJOCQAMQ-UHFFFAOYSA-N 0 0 387.230 4.139 20 5 GIBDRN Cc1cc(-n2cccn2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000190210046 823551096 /nfs/dbraw/zinc/55/10/96/823551096.db2.gz PCBYNTWJBAYROP-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCc2ccccc21 ZINC000411200488 823556950 /nfs/dbraw/zinc/55/69/50/823556950.db2.gz ILWUEHCHBNNJFL-LJQANCHMSA-N 0 0 395.459 4.076 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190266526 823557983 /nfs/dbraw/zinc/55/79/83/823557983.db2.gz DYLQAIJTPGDCEP-LMNJBCLMSA-N 0 0 382.460 4.058 20 5 GIBDRN O=C(Nc1ccc(SC(F)F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000123989806 823558250 /nfs/dbraw/zinc/55/82/50/823558250.db2.gz DCVQTAYJCUTQLC-UHFFFAOYSA-N 0 0 379.388 4.500 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCCCCC3)n2Cc2cccs2)cc1 ZINC000461014573 823559311 /nfs/dbraw/zinc/55/93/11/823559311.db2.gz KMFRVTBIIQAKIW-UHFFFAOYSA-N 0 0 383.477 4.344 20 5 GIBDRN COc1ccccc1-c1csc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000124008597 823559617 /nfs/dbraw/zinc/55/96/17/823559617.db2.gz DCDRTEBBTXVOPF-UHFFFAOYSA-N 0 0 383.429 4.298 20 5 GIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411254975 823560508 /nfs/dbraw/zinc/56/05/08/823560508.db2.gz OKDZKQJLHXKNFW-NSHGMRRFSA-N 0 0 396.443 4.079 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000411272249 823561495 /nfs/dbraw/zinc/56/14/95/823561495.db2.gz BGUBBHVNSIKCDD-OAUYIBNBSA-N 0 0 382.416 4.059 20 5 GIBDRN Cc1cc(NC[C@@H](O)c2ccc(Cl)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858761 823562917 /nfs/dbraw/zinc/56/29/17/823562917.db2.gz OAOVEIWFVGKUHW-QGZVFWFLSA-N 0 0 384.823 4.159 20 5 GIBDRN Cc1cc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861613 823562980 /nfs/dbraw/zinc/56/29/80/823562980.db2.gz SJTNOGFWEWRXNR-OXJNMPFZSA-N 0 0 390.443 4.327 20 5 GIBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000411320153 823564481 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ZKAYYHDQAWGTDQ-LJQANCHMSA-N 0 0 399.495 4.191 20 5 GIBDRN O=C(N[C@@H]1CCCc2c(O)cccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000191424220 823683922 /nfs/dbraw/zinc/68/39/22/823683922.db2.gz JSRVWNVHBJAZEA-GOSISDBHSA-N 0 0 381.432 4.052 20 5 GIBDRN Cc1ccc(C)c(C(=O)CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000461706391 823684778 /nfs/dbraw/zinc/68/47/78/823684778.db2.gz UEKXHZMIVBLEDB-NRFANRHFSA-N 0 0 398.484 4.449 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(Cl)ccc2C1 ZINC000191464089 823687823 /nfs/dbraw/zinc/68/78/23/823687823.db2.gz NVFFOHBVOKFBRY-UHFFFAOYSA-N 0 0 399.878 4.050 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CC=C(c2cccc3ccccc32)CC1 ZINC000063691964 823689636 /nfs/dbraw/zinc/68/96/36/823689636.db2.gz ZTGVGYHPVNMOSG-UHFFFAOYSA-N 0 0 388.423 4.443 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)n1 ZINC000191483595 823689790 /nfs/dbraw/zinc/68/97/90/823689790.db2.gz NZAKPFYWYVSJAZ-LJQANCHMSA-N 0 0 390.399 4.077 20 5 GIBDRN COc1ccc(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)cc1[N+](=O)[O-] ZINC000461745770 823691000 /nfs/dbraw/zinc/69/10/00/823691000.db2.gz LDMOGWQBJUMSPV-UHFFFAOYSA-N 0 0 394.427 4.390 20 5 GIBDRN Cc1cc(NCc2cccc(C(=O)NC3CC3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461775059 823694073 /nfs/dbraw/zinc/69/40/73/823694073.db2.gz JWKLEUYJCFWAAO-UHFFFAOYSA-N 0 0 393.365 4.426 20 5 GIBDRN COCCOc1ccc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)cc1OC ZINC000461776976 823694294 /nfs/dbraw/zinc/69/42/94/823694294.db2.gz DTNYFDDEAWJYKI-ZDUSSCGKSA-N 0 0 378.400 4.249 20 5 GIBDRN CCCCN(Cc1ccccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000063765924 823694364 /nfs/dbraw/zinc/69/43/64/823694364.db2.gz UNESTOBNINMBPE-UHFFFAOYSA-N 0 0 380.441 4.033 20 5 GIBDRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412947967 823694559 /nfs/dbraw/zinc/69/45/59/823694559.db2.gz KGUCPOPUDNCULA-YHJVDBJQSA-N 0 0 395.434 4.077 20 5 GIBDRN Cc1cc(NCc2ccnc(-n3cccn3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461780767 823694651 /nfs/dbraw/zinc/69/46/51/823694651.db2.gz YPNRNCIWFVGORR-UHFFFAOYSA-N 0 0 377.326 4.115 20 5 GIBDRN CC(C)c1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccccc1 ZINC000191525656 823695496 /nfs/dbraw/zinc/69/54/96/823695496.db2.gz OAWYLEHYEOZYAY-UHFFFAOYSA-N 0 0 390.403 4.033 20 5 GIBDRN Cc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1C ZINC000063816500 823699172 /nfs/dbraw/zinc/69/91/72/823699172.db2.gz ZXNOOIMUDXFRJX-NRFANRHFSA-N 0 0 390.443 4.375 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000191565637 823700727 /nfs/dbraw/zinc/70/07/27/823700727.db2.gz UNNRUWFYCCOOKN-QGZVFWFLSA-N 0 0 398.850 4.178 20 5 GIBDRN CCC[C@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461817392 823701185 /nfs/dbraw/zinc/70/11/85/823701185.db2.gz UGGJTBUZRSURAS-YJBOKZPZSA-N 0 0 387.484 4.047 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc([N+](=O)[O-])c1C ZINC000191580485 823704008 /nfs/dbraw/zinc/70/40/08/823704008.db2.gz BVJFTKOWXMKWCQ-UHFFFAOYSA-N 0 0 399.447 4.457 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC(OCCc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413082791 823704394 /nfs/dbraw/zinc/70/43/94/823704394.db2.gz IDQALCBJOJPNPN-UHFFFAOYSA-N 0 0 395.381 4.237 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 ZINC000191592765 823706126 /nfs/dbraw/zinc/70/61/26/823706126.db2.gz OPOLMKHNXBUEDE-OAHLLOKOSA-N 0 0 398.385 4.347 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)n1 ZINC000191598450 823708214 /nfs/dbraw/zinc/70/82/14/823708214.db2.gz GECFMDBNHPULAI-UHFFFAOYSA-N 0 0 387.399 4.279 20 5 GIBDRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413158408 823718046 /nfs/dbraw/zinc/71/80/46/823718046.db2.gz VMXSSGMDNBWDBW-GFCCVEGCSA-N 0 0 397.328 4.247 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](COCc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000413167679 823719450 /nfs/dbraw/zinc/71/94/50/823719450.db2.gz LXXJJKVBRWJSAQ-CQSZACIVSA-N 0 0 381.354 4.052 20 5 GIBDRN O=C(CCc1cc(Cl)cc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000125826794 823721434 /nfs/dbraw/zinc/72/14/34/823721434.db2.gz JGIMYCAWTYVWSL-UHFFFAOYSA-N 0 0 379.243 4.419 20 5 GIBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])c3ncccc23)c(O[C@@H]2CCOC2)c1 ZINC000413192826 823724819 /nfs/dbraw/zinc/72/48/19/823724819.db2.gz NTLDMAPLZSFHPS-MRXNPFEDSA-N 0 0 379.416 4.231 20 5 GIBDRN COc1cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000191661594 823726394 /nfs/dbraw/zinc/72/63/94/823726394.db2.gz QNIZIHMOKHXRDT-HNNXBMFYSA-N 0 0 376.375 4.022 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)[C@@H]1C ZINC000461864046 823726808 /nfs/dbraw/zinc/72/68/08/823726808.db2.gz WCJIIUUWBTWGJU-MDZRGWNJSA-N 0 0 399.495 4.047 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ccc(COC3CCOCC3)cc2)c2cccnc21 ZINC000413205317 823727851 /nfs/dbraw/zinc/72/78/51/823727851.db2.gz OURLEJNKXLDMDR-UHFFFAOYSA-N 0 0 393.443 4.451 20 5 GIBDRN COc1cc(OCC(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1[N+](=O)[O-] ZINC000063981194 823728235 /nfs/dbraw/zinc/72/82/35/823728235.db2.gz WKNNGCWVXJIFQU-UHFFFAOYSA-N 0 0 399.428 4.108 20 5 GIBDRN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413216319 823729846 /nfs/dbraw/zinc/72/98/46/823729846.db2.gz RCXJKLOZKWHQTN-BDJLRTHQSA-N 0 0 382.798 4.026 20 5 GIBDRN O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000063991913 823731053 /nfs/dbraw/zinc/73/10/53/823731053.db2.gz PNOSWLACXRQQHA-UHFFFAOYSA-N 0 0 390.374 4.384 20 5 GIBDRN CC(=O)c1c(C)[nH]c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C(C)C ZINC000574446955 823733208 /nfs/dbraw/zinc/73/32/08/823733208.db2.gz PYAVWGKSUSSXMA-UHFFFAOYSA-N 0 0 396.447 4.011 20 5 GIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccccc2)c2ncccc12 ZINC000461881361 823736546 /nfs/dbraw/zinc/73/65/46/823736546.db2.gz IJGSDNAPBJYMQM-KRWDZBQOSA-N 0 0 397.456 4.059 20 5 GIBDRN CCOC(=O)c1csc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000413260167 823740240 /nfs/dbraw/zinc/74/02/40/823740240.db2.gz JAESPBYDZLBQFP-MRXNPFEDSA-N 0 0 398.444 4.118 20 5 GIBDRN O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)OCCc3ccccc34)ccc2c1 ZINC000413324371 823753007 /nfs/dbraw/zinc/75/30/07/823753007.db2.gz KTWRGQNRPKCFBF-UHFFFAOYSA-N 0 0 375.428 4.211 20 5 GIBDRN O=C(c1ccc(Br)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163847368 823753807 /nfs/dbraw/zinc/75/38/07/823753807.db2.gz UEUJCEOFQHDTOD-UHFFFAOYSA-N 0 0 381.251 4.224 20 5 GIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCC2(CC1)OCCc1ccccc12 ZINC000413339205 823755505 /nfs/dbraw/zinc/75/55/05/823755505.db2.gz UJMZXSSEKLSVPR-UHFFFAOYSA-N 0 0 375.428 4.211 20 5 GIBDRN COC(=O)c1cc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc(C)c1[N+](=O)[O-] ZINC000413348217 823757097 /nfs/dbraw/zinc/75/70/97/823757097.db2.gz CFWACIJLVYCZSF-IUODEOHRSA-N 0 0 376.434 4.084 20 5 GIBDRN O=C(Cc1cccc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163895780 823757996 /nfs/dbraw/zinc/75/79/96/823757996.db2.gz SYRXGEYLZDEBLL-UHFFFAOYSA-N 0 0 389.249 4.091 20 5 GIBDRN COc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC(F)F ZINC000163911751 823759688 /nfs/dbraw/zinc/75/96/88/823759688.db2.gz CSIBSCPOGVKCAS-UHFFFAOYSA-N 0 0 392.358 4.010 20 5 GIBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000574541540 823760199 /nfs/dbraw/zinc/76/01/99/823760199.db2.gz MWNJAWGLRMCNCV-SECBINFHSA-N 0 0 383.216 4.452 20 5 GIBDRN COc1cc(N2CCC[C@H]2c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000413370134 823761425 /nfs/dbraw/zinc/76/14/25/823761425.db2.gz GZGJELVFQLLMEC-AWEZNQCLSA-N 0 0 378.226 4.102 20 5 GIBDRN O=[N+]([O-])c1cc2c(ncnc2Nc2ccc3c(c2)CN(CC(F)(F)F)C3)s1 ZINC000413375037 823763060 /nfs/dbraw/zinc/76/30/60/823763060.db2.gz SBQLPXVIAOFTSP-UHFFFAOYSA-N 0 0 395.366 4.221 20 5 GIBDRN Cc1cc(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)C2)n(C)n1 ZINC000461937566 823765482 /nfs/dbraw/zinc/76/54/82/823765482.db2.gz VAVDJWGCHHVSLR-ZDUSSCGKSA-N 0 0 397.401 4.045 20 5 GIBDRN Cc1cc(Nc2ccc3c(c2)N(C)C(=O)CO3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461942949 823767284 /nfs/dbraw/zinc/76/72/84/823767284.db2.gz DWNBQVURUONDBJ-UHFFFAOYSA-N 0 0 381.310 4.021 20 5 GIBDRN Cc1cc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948693 823768631 /nfs/dbraw/zinc/76/86/31/823768631.db2.gz NWTSMPCLKZOCEM-TVQRCGJNSA-N 0 0 386.292 4.062 20 5 GIBDRN Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949867 823769188 /nfs/dbraw/zinc/76/91/88/823769188.db2.gz RXSUSOPVFQZBNH-GFCCVEGCSA-N 0 0 395.385 4.232 20 5 GIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000164014457 823770285 /nfs/dbraw/zinc/77/02/85/823770285.db2.gz AVIVTMZQSFBWHS-MRXNPFEDSA-N 0 0 397.475 4.020 20 5 GIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000164020721 823770752 /nfs/dbraw/zinc/77/07/52/823770752.db2.gz LIQGWRXVMBWFFL-MRXNPFEDSA-N 0 0 397.475 4.020 20 5 GIBDRN Cc1cc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000461970125 823777141 /nfs/dbraw/zinc/77/71/41/823777141.db2.gz JYPWMTWYJQQFNJ-BZNIZROVSA-N 0 0 384.329 4.373 20 5 GIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000164109710 823778848 /nfs/dbraw/zinc/77/88/48/823778848.db2.gz JXMYOKSTHCLCJG-INIZCTEOSA-N 0 0 397.475 4.399 20 5 GIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000191825002 823784909 /nfs/dbraw/zinc/78/49/09/823784909.db2.gz PAVYWOXROVFLBK-GFCCVEGCSA-N 0 0 392.839 4.152 20 5 GIBDRN NC(=O)c1ccc(N2CCC(c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1 ZINC000461993020 823786991 /nfs/dbraw/zinc/78/69/91/823786991.db2.gz XLDDPRIRZSGNBA-UHFFFAOYSA-N 0 0 394.258 4.385 20 5 GIBDRN CSCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164260102 823791011 /nfs/dbraw/zinc/79/10/11/823791011.db2.gz KHJOCHYZVSDRET-GDBMZVCRSA-N 0 0 385.493 4.091 20 5 GIBDRN COc1ccc(OC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000574660497 823793370 /nfs/dbraw/zinc/79/33/70/823793370.db2.gz JIEICRCGQJFSOQ-UHFFFAOYSA-N 0 0 379.416 4.199 20 5 GIBDRN CC(C)N(CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350319 823798480 /nfs/dbraw/zinc/79/84/80/823798480.db2.gz MKYVFGHTQOHQSS-JOCHJYFZSA-N 0 0 395.503 4.341 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncsc1-c1ccccc1 ZINC000574683219 823800598 /nfs/dbraw/zinc/80/05/98/823800598.db2.gz VPGBWZFCIHFWAY-UHFFFAOYSA-N 0 0 392.440 4.172 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000126153293 823800828 /nfs/dbraw/zinc/80/08/28/823800828.db2.gz VXUWJJBCYHYJLX-UHFFFAOYSA-N 0 0 384.779 4.007 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000164515973 823806590 /nfs/dbraw/zinc/80/65/90/823806590.db2.gz FLDYINUSLSGURZ-SJORKVTESA-N 0 0 388.464 4.138 20 5 GIBDRN Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)CC2)cn1 ZINC000413675516 823815490 /nfs/dbraw/zinc/81/54/90/823815490.db2.gz NSTWLUXNQCQGDU-UHFFFAOYSA-N 0 0 381.432 4.015 20 5 GIBDRN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126263325 823823902 /nfs/dbraw/zinc/82/39/02/823823902.db2.gz DTNOVULPRMRCRN-UHFFFAOYSA-N 0 0 393.321 4.214 20 5 GIBDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC000413713983 823824107 /nfs/dbraw/zinc/82/41/07/823824107.db2.gz JVMHYBROQMQISO-MFRYECHYSA-N 0 0 380.444 4.241 20 5 GIBDRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000164876894 823824092 /nfs/dbraw/zinc/82/40/92/823824092.db2.gz LKAQVUYIYAQUPK-CQSZACIVSA-N 0 0 395.463 4.082 20 5 GIBDRN COc1ccc([C@@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1OC ZINC000574779787 823824752 /nfs/dbraw/zinc/82/47/52/823824752.db2.gz RFDOPTRBZXAYPU-CQSZACIVSA-N 0 0 397.431 4.426 20 5 GIBDRN COc1ccc(-n2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)n2)cc1 ZINC000462096016 823826440 /nfs/dbraw/zinc/82/64/40/823826440.db2.gz GKYYFWYDZYSMMB-UHFFFAOYSA-N 0 0 390.346 4.003 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccccc2NC(C)(C)C)c1F ZINC000413746894 823831740 /nfs/dbraw/zinc/83/17/40/823831740.db2.gz KXOWCLFXGMEHCX-UHFFFAOYSA-N 0 0 375.400 4.134 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)ccc2OC)no1 ZINC000574820210 823834533 /nfs/dbraw/zinc/83/45/33/823834533.db2.gz YAAWRNKRWOBSBZ-AWEZNQCLSA-N 0 0 383.404 4.398 20 5 GIBDRN CCOc1cc(NC(=O)NC[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])cc1OCC ZINC000413769584 823838237 /nfs/dbraw/zinc/83/82/37/823838237.db2.gz KOTUKMTWHYQEME-JTQLQIEISA-N 0 0 393.362 4.102 20 5 GIBDRN COc1ccc(-c2nc(C)c(C(=O)NCc3cccc([N+](=O)[O-])c3C)s2)cc1 ZINC000574858173 823845270 /nfs/dbraw/zinc/84/52/70/823845270.db2.gz KOHPSMJZNYIHQH-UHFFFAOYSA-N 0 0 397.456 4.274 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000413833210 823847727 /nfs/dbraw/zinc/84/77/27/823847727.db2.gz KPHYFGGEYQPWOC-RXVVDRJESA-N 0 0 397.475 4.327 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000462162031 823849865 /nfs/dbraw/zinc/84/98/65/823849865.db2.gz ZLANMFKVYJOICS-AEFFLSMTSA-N 0 0 392.521 4.420 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C12CC3CC(CC(C3)C1)C2 ZINC000126374356 823851247 /nfs/dbraw/zinc/85/12/47/823851247.db2.gz FLZZARSRAHNCPW-UHFFFAOYSA-N 0 0 387.436 4.242 20 5 GIBDRN Cc1ccc(C[C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 ZINC000126423148 823863335 /nfs/dbraw/zinc/86/33/35/823863335.db2.gz VKQSBDOYPCWUHN-OAHLLOKOSA-N 0 0 390.508 4.272 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(Nc2cccc(C[S@](=O)Cc3ccccc3)c2)n1 ZINC000126432497 823865626 /nfs/dbraw/zinc/86/56/26/823865626.db2.gz CBQHECKLCYDDLZ-MHZLTWQESA-N 0 0 381.457 4.491 20 5 GIBDRN COc1c(-c2nc(-c3cccc(-c4cscn4)c3)no2)cccc1[N+](=O)[O-] ZINC000574942782 823866321 /nfs/dbraw/zinc/86/63/21/823866321.db2.gz MGJCMLVKDPKYAX-UHFFFAOYSA-N 0 0 380.385 4.444 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(OC)cc(OC)c1Cl ZINC000413932668 823869925 /nfs/dbraw/zinc/86/99/25/823869925.db2.gz NSSPSEAEWHGQJX-CYBMUJFWSA-N 0 0 392.839 4.473 20 5 GIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cnn1-c1cccc(Cl)c1 ZINC000192131930 823871465 /nfs/dbraw/zinc/87/14/65/823871465.db2.gz HDIRSDSUPQQAAY-UHFFFAOYSA-N 0 0 388.786 4.388 20 5 GIBDRN Cc1sc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)nc1-c1c[nH]c2ncccc12 ZINC000126457547 823872471 /nfs/dbraw/zinc/87/24/71/823872471.db2.gz RSLHXQFZWHFGKM-UHFFFAOYSA-N 0 0 393.428 4.464 20 5 GIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064725355 823872499 /nfs/dbraw/zinc/87/24/99/823872499.db2.gz NWJFTQDEBXLCOO-MNOVXSKESA-N 0 0 396.802 4.041 20 5 GIBDRN COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000166480573 823878584 /nfs/dbraw/zinc/87/85/84/823878584.db2.gz MDNSEDCFRRLBKJ-UHFFFAOYSA-N 0 0 386.238 4.101 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000413979157 823882240 /nfs/dbraw/zinc/88/22/40/823882240.db2.gz QGNSJXTWVVUFNM-SFHVURJKSA-N 0 0 392.521 4.373 20 5 GIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064777113 823883991 /nfs/dbraw/zinc/88/39/91/823883991.db2.gz CQXXLKSDTDHCEQ-UHFFFAOYSA-N 0 0 385.420 4.138 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1N(C)C ZINC000064785167 823886182 /nfs/dbraw/zinc/88/61/82/823886182.db2.gz CEIABZNXFMHCSE-JTQLQIEISA-N 0 0 398.246 4.374 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000414006410 823888068 /nfs/dbraw/zinc/88/80/68/823888068.db2.gz FDCQVQRJSGETSP-JSGCOSHPSA-N 0 0 394.349 4.156 20 5 GIBDRN COc1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000126531135 823892435 /nfs/dbraw/zinc/89/24/35/823892435.db2.gz WLBUJNXWNKTCLU-IBGZPJMESA-N 0 0 397.818 4.171 20 5 GIBDRN CNC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Cl ZINC000064837666 823897492 /nfs/dbraw/zinc/89/74/92/823897492.db2.gz FQSVCFVHRMHPFY-UHFFFAOYSA-N 0 0 389.820 4.075 20 5 GIBDRN COc1ccc(I)c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000462250124 823898207 /nfs/dbraw/zinc/89/82/07/823898207.db2.gz XVYSYEAFEKRONK-UHFFFAOYSA-N 0 0 398.200 4.129 20 5 GIBDRN CSc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000064848165 823899312 /nfs/dbraw/zinc/89/93/12/823899312.db2.gz ACTNLSYVVHZMRU-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN Cc1nc(C(F)(F)F)sc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462256701 823901499 /nfs/dbraw/zinc/90/14/99/823901499.db2.gz NADQXFQQNHGWRD-UHFFFAOYSA-N 0 0 385.367 4.183 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000575070239 823904450 /nfs/dbraw/zinc/90/44/50/823904450.db2.gz ZTAOAOHKOFJOEW-KSMMKXTCSA-N 0 0 380.448 4.478 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000064897908 823907803 /nfs/dbraw/zinc/90/78/03/823907803.db2.gz OZJVHRHWBYBPJQ-LLVKDONJSA-N 0 0 385.367 4.133 20 5 GIBDRN CCN(Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1)C(C)=O ZINC000126608640 823910405 /nfs/dbraw/zinc/91/04/05/823910405.db2.gz ZXHJEQCXVNZPDC-UHFFFAOYSA-N 0 0 390.827 4.261 20 5 GIBDRN CNC(=O)c1ccc(NCc2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000064914249 823910843 /nfs/dbraw/zinc/91/08/43/823910843.db2.gz JMZYGOIHGJRWJU-UHFFFAOYSA-N 0 0 377.400 4.359 20 5 GIBDRN CCOc1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000064917597 823912192 /nfs/dbraw/zinc/91/21/92/823912192.db2.gz JHIQGJPPBZRYSK-UHFFFAOYSA-N 0 0 383.429 4.047 20 5 GIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2cc(Cl)ccc2C1 ZINC000192242362 823913855 /nfs/dbraw/zinc/91/38/55/823913855.db2.gz RFLKDXXWXSHHRK-GFCCVEGCSA-N 0 0 384.823 4.418 20 5 GIBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000064970433 823920221 /nfs/dbraw/zinc/92/02/21/823920221.db2.gz ZYFZBICNQSUXFK-UHFFFAOYSA-N 0 0 380.400 4.432 20 5 GIBDRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000192259385 823920721 /nfs/dbraw/zinc/92/07/21/823920721.db2.gz ZTMUEUVDWLTFGI-UHFFFAOYSA-N 0 0 390.461 4.038 20 5 GIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2F)n1 ZINC000065007180 823923186 /nfs/dbraw/zinc/92/31/86/823923186.db2.gz QNJWRVOVQQPVIS-UHFFFAOYSA-N 0 0 393.378 4.270 20 5 GIBDRN Cc1ccc(-c2nc(CCNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)co2)cc1 ZINC000170641349 823924288 /nfs/dbraw/zinc/92/42/88/823924288.db2.gz PWAAUFVCCCYDEV-UHFFFAOYSA-N 0 0 392.415 4.098 20 5 GIBDRN Cn1cc(C(=O)NCc2csc3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065061887 823931915 /nfs/dbraw/zinc/93/19/15/823931915.db2.gz OMFUQMASENUHIT-UHFFFAOYSA-N 0 0 392.440 4.140 20 5 GIBDRN COc1cc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(Cl)c(OC)c1 ZINC000414227345 823933573 /nfs/dbraw/zinc/93/35/73/823933573.db2.gz XEHIFJKETVFGRO-JSGCOSHPSA-N 0 0 380.832 4.058 20 5 GIBDRN CC(C)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462349232 823935187 /nfs/dbraw/zinc/93/51/87/823935187.db2.gz PXAZNICZIPHNIA-GFCCVEGCSA-N 0 0 381.281 4.101 20 5 GIBDRN CN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000170679799 823935807 /nfs/dbraw/zinc/93/58/07/823935807.db2.gz SYWRQRANIGAJOX-MRXNPFEDSA-N 0 0 390.823 4.292 20 5 GIBDRN Cc1c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000462357494 823939440 /nfs/dbraw/zinc/93/94/40/823939440.db2.gz BKYVZCXWXXCUOJ-CTYIDZIISA-N 0 0 389.249 4.342 20 5 GIBDRN CO[C@@](C)(CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000462379748 823950395 /nfs/dbraw/zinc/95/03/95/823950395.db2.gz YAWUKQSNPLNXQM-FQEVSTJZSA-N 0 0 386.473 4.291 20 5 GIBDRN Cc1ccc(C[C@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)cc1 ZINC000065163118 823955573 /nfs/dbraw/zinc/95/55/73/823955573.db2.gz QLEXDPODFFJWAM-QGZVFWFLSA-N 0 0 377.444 4.479 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000065163761 823955750 /nfs/dbraw/zinc/95/57/50/823955750.db2.gz CTXUBTNFRQSWFF-SFHVURJKSA-N 0 0 382.460 4.397 20 5 GIBDRN O=C(Nc1ccc(-c2ncon2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170731590 823957202 /nfs/dbraw/zinc/95/72/02/823957202.db2.gz BOVBZNACUIYAGL-UHFFFAOYSA-N 0 0 393.384 4.021 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000575333460 823957417 /nfs/dbraw/zinc/95/74/17/823957417.db2.gz PEAXNROFINYFKI-MRXNPFEDSA-N 0 0 395.438 4.081 20 5 GIBDRN CCN(CC(F)(F)F)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000126815213 823958149 /nfs/dbraw/zinc/95/81/49/823958149.db2.gz IIUGXGNZJZXYLJ-LBPRGKRZSA-N 0 0 396.369 4.187 20 5 GIBDRN CSC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000575348092 823959166 /nfs/dbraw/zinc/95/91/66/823959166.db2.gz RPXOQDXXAKAUFL-QGZVFWFLSA-N 0 0 399.516 4.422 20 5 GIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000170746987 823959745 /nfs/dbraw/zinc/95/97/45/823959745.db2.gz XGLXRRMMGUIOND-UHFFFAOYSA-N 0 0 384.392 4.236 20 5 GIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462404938 823961606 /nfs/dbraw/zinc/96/16/06/823961606.db2.gz ZRWFRVPIZCTLDS-NFAWXSAZSA-N 0 0 394.880 4.203 20 5 GIBDRN Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000126842290 823964355 /nfs/dbraw/zinc/96/43/55/823964355.db2.gz 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000575780001 823992939 /nfs/dbraw/zinc/99/29/39/823992939.db2.gz SWSVWLBLHYBLNN-LLVKDONJSA-N 0 0 387.383 4.364 20 5 GIBDRN CC(C)c1noc(-c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000170877194 823998015 /nfs/dbraw/zinc/99/80/15/823998015.db2.gz JCRFGUUIGVDASF-UHFFFAOYSA-N 0 0 395.419 4.432 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000192492496 824009889 /nfs/dbraw/zinc/00/98/89/824009889.db2.gz WUMOJFNXXHUUFX-UHFFFAOYSA-N 0 0 388.221 4.077 20 5 GIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)c1ncc([N+](=O)[O-])s1 ZINC000192500284 824012138 /nfs/dbraw/zinc/01/21/38/824012138.db2.gz XKXXRMLHVQNHID-UHFFFAOYSA-N 0 0 389.264 4.213 20 5 GIBDRN Cc1ccccc1C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000170954561 824016135 /nfs/dbraw/zinc/01/61/35/824016135.db2.gz MIAXCQSXBPYMHS-UHFFFAOYSA-N 0 0 390.443 4.109 20 5 GIBDRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170954886 824016596 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381.413 4.214 20 5 GIBDRN O=C(NCc1ccccc1OCC1CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575956549 824037375 /nfs/dbraw/zinc/03/73/75/824037375.db2.gz XIYYAKTVCIZAOI-UHFFFAOYSA-N 0 0 394.349 4.332 20 5 GIBDRN CCc1[nH]nc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000192582291 824038026 /nfs/dbraw/zinc/03/80/26/824038026.db2.gz YNOBUIMVFRBJAD-CYBMUJFWSA-N 0 0 380.404 4.273 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000171025175 824041215 /nfs/dbraw/zinc/04/12/15/824041215.db2.gz NWOFWXBJWHHNEF-UHFFFAOYSA-N 0 0 388.424 4.324 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc(Br)c1 ZINC000171048860 824047337 /nfs/dbraw/zinc/04/73/37/824047337.db2.gz OGUPCUDNMLHBQQ-UHFFFAOYSA-N 0 0 397.250 4.097 20 5 GIBDRN COc1cc(Br)c(CN(C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000192636750 824052731 /nfs/dbraw/zinc/05/27/31/824052731.db2.gz DQFASHSCUQVXPJ-UHFFFAOYSA-N 0 0 395.253 4.007 20 5 GIBDRN Cc1c(Br)cccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000171071700 824055978 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Cc1sc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000055926295 823067749 /nfs/dbraw/zinc/06/77/49/823067749.db2.gz VHGFHLOZGKAGQQ-UHFFFAOYSA-N 0 0 387.461 4.089 20 5 GIBDRN Cc1sc(C(=O)N2CCCc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000055942694 823069349 /nfs/dbraw/zinc/06/93/49/823069349.db2.gz IVHYNBJFYGCRPP-UHFFFAOYSA-N 0 0 381.251 4.320 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])cc1 ZINC000458655843 823070351 /nfs/dbraw/zinc/07/03/51/823070351.db2.gz RYSAJKXRXVKPHO-LIRRHRJNSA-N 0 0 397.479 4.344 20 5 GIBDRN CC1CC[NH+]([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000570687366 823071849 /nfs/dbraw/zinc/07/18/49/823071849.db2.gz UJHYQMSZPRJHNW-FQEVSTJZSA-N 0 0 383.448 4.178 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000120854360 823077246 /nfs/dbraw/zinc/07/72/46/823077246.db2.gz OEFYSZBMACSHCJ-OAHLLOKOSA-N 0 0 391.427 4.181 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000120854203 823077259 /nfs/dbraw/zinc/07/72/59/823077259.db2.gz OEFYSZBMACSHCJ-HNNXBMFYSA-N 0 0 391.427 4.181 20 5 GIBDRN COCCC1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000187488093 823073723 /nfs/dbraw/zinc/07/37/23/823073723.db2.gz NIEOWFIKMOMVDH-OAHLLOKOSA-N 0 0 380.510 4.179 20 5 GIBDRN CC(C)[C@H](CC(F)(F)F)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458693325 823075054 /nfs/dbraw/zinc/07/50/54/823075054.db2.gz QMVJFWSLZATJIF-ZBFHGGJFSA-N 0 0 387.402 4.461 20 5 GIBDRN CC(C)[C@H](CC(F)(F)F)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458693324 823075104 /nfs/dbraw/zinc/07/51/04/823075104.db2.gz QMVJFWSLZATJIF-HOCLYGCPSA-N 0 0 387.402 4.461 20 5 GIBDRN COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000187512307 823078442 /nfs/dbraw/zinc/07/84/42/823078442.db2.gz MTOSBILNZCKZBS-BZNIZROVSA-N 0 0 397.353 4.267 20 5 GIBDRN O=C(CCSc1ccc(Br)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000056014911 823078853 /nfs/dbraw/zinc/07/88/53/823078853.db2.gz KYICBEYJNLJQMY-UHFFFAOYSA-N 0 0 395.278 4.156 20 5 GIBDRN CCCCOc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000056028310 823080019 /nfs/dbraw/zinc/08/00/19/823080019.db2.gz PJBLLZGKDHZCFA-UHFFFAOYSA-N 0 0 380.404 4.212 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3C3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000056034049 823080495 /nfs/dbraw/zinc/08/04/95/823080495.db2.gz WHWMZYPETKTMMM-HXUWFJFHSA-N 0 0 396.491 4.251 20 5 GIBDRN C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000056083730 823082606 /nfs/dbraw/zinc/08/26/06/823082606.db2.gz WFIJQDYHIXFATD-AWEZNQCLSA-N 0 0 388.851 4.174 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000175968532 823084292 /nfs/dbraw/zinc/08/42/92/823084292.db2.gz RNFUGGPUWWWENV-UHFFFAOYSA-N 0 0 397.818 4.080 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(Br)cc2)CC1 ZINC000175980000 823088007 /nfs/dbraw/zinc/08/80/07/823088007.db2.gz QEFIULFMMNGTRA-UHFFFAOYSA-N 0 0 389.249 4.095 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000175995037 823091235 /nfs/dbraw/zinc/09/12/35/823091235.db2.gz NONWLALBWZVJQG-NBHGPNQESA-N 0 0 397.475 4.431 20 5 GIBDRN O=C(Nc1ccccc1OCC1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176001936 823092659 /nfs/dbraw/zinc/09/26/59/823092659.db2.gz IVYLWKPPDCTTCX-UHFFFAOYSA-N 0 0 391.221 4.398 20 5 GIBDRN O=C(Nc1ccccn1)c1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176006079 823093870 /nfs/dbraw/zinc/09/38/70/823093870.db2.gz WUASEWIBONNUPB-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN O=C(Nc1ccncc1)c1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176006323 823093950 /nfs/dbraw/zinc/09/39/50/823093950.db2.gz MNIDTVFIJZOSKD-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN CCn1c(SC[C@@H](OC)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000570856562 823096664 /nfs/dbraw/zinc/09/66/64/823096664.db2.gz WFAIFXJWSBHFCB-QGZVFWFLSA-N 0 0 384.461 4.353 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000176017580 823096897 /nfs/dbraw/zinc/09/68/97/823096897.db2.gz BGHKDJLQLHVEFE-LBPRGKRZSA-N 0 0 381.392 4.090 20 5 GIBDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120985083 823097601 /nfs/dbraw/zinc/09/76/01/823097601.db2.gz KGRHPTQZOSWBTB-NWDGAFQWSA-N 0 0 381.354 4.291 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176022650 823098393 /nfs/dbraw/zinc/09/83/93/823098393.db2.gz CTQBGGRXVDKPIB-RYUDHWBXSA-N 0 0 387.299 4.104 20 5 GIBDRN C[C@H](NC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458891263 823102741 /nfs/dbraw/zinc/10/27/41/823102741.db2.gz SBXFFQFBMHWNGY-KRWDZBQOSA-N 0 0 397.475 4.173 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000458889420 823102318 /nfs/dbraw/zinc/10/23/18/823102318.db2.gz ODVPZTYILBYBPG-GUXCAODWSA-N 0 0 383.448 4.136 20 5 GIBDRN O=C(NCc1ccccc1COCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121060444 823110876 /nfs/dbraw/zinc/11/08/76/823110876.db2.gz VTIWETYWXPVJLM-UHFFFAOYSA-N 0 0 394.402 4.381 20 5 GIBDRN O=C(c1ccnc(SCC(F)(F)F)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121060869 823111234 /nfs/dbraw/zinc/11/12/34/823111234.db2.gz YIESFBMGDOCRJM-UHFFFAOYSA-N 0 0 397.378 4.237 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000570962641 823112571 /nfs/dbraw/zinc/11/25/71/823112571.db2.gz KDMMPBZJKHDHKC-PKOBYXMFSA-N 0 0 398.850 4.127 20 5 GIBDRN CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000121084067 823115540 /nfs/dbraw/zinc/11/55/40/823115540.db2.gz LKTULYHHGSSRMD-UHFFFAOYSA-N 0 0 375.384 4.124 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000176086462 823116070 /nfs/dbraw/zinc/11/60/70/823116070.db2.gz UWVVUSYNVIZQEO-YSSFQJQWSA-N 0 0 383.448 4.184 20 5 GIBDRN C[C@H](C(=O)NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000187711456 823118196 /nfs/dbraw/zinc/11/81/96/823118196.db2.gz DAAYMEJNIFCWGD-NHYWBVRUSA-N 0 0 384.329 4.300 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000187714518 823118833 /nfs/dbraw/zinc/11/88/33/823118833.db2.gz JVRXGVMPQQWIMO-OAHLLOKOSA-N 0 0 396.365 4.134 20 5 GIBDRN COc1c(Cl)cccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000056286214 823121272 /nfs/dbraw/zinc/12/12/72/823121272.db2.gz NXAHEYHQJMUSDX-UHFFFAOYSA-N 0 0 389.839 4.112 20 5 GIBDRN Cc1csc(CCCCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000176103585 823121644 /nfs/dbraw/zinc/12/16/44/823121644.db2.gz RWNPEXUBPARJLS-AWEZNQCLSA-N 0 0 376.482 4.051 20 5 GIBDRN Cc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000056288373 823121810 /nfs/dbraw/zinc/12/18/10/823121810.db2.gz JRFCREGZOWDEPN-UHFFFAOYSA-N 0 0 381.354 4.368 20 5 GIBDRN CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000056288706 823122054 /nfs/dbraw/zinc/12/20/54/823122054.db2.gz JFYCJSSESMOIEY-UHFFFAOYSA-N 0 0 398.463 4.176 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000056288492 823122082 /nfs/dbraw/zinc/12/20/82/823122082.db2.gz DPVUBCYSJUMKNJ-UHFFFAOYSA-N 0 0 396.472 4.093 20 5 GIBDRN C[C@@H](NC(=O)CCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176115254 823125037 /nfs/dbraw/zinc/12/50/37/823125037.db2.gz QLLWQAFMLARBOS-GFCCVEGCSA-N 0 0 377.238 4.167 20 5 GIBDRN C[C@H](NC(=O)CCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176115237 823125044 /nfs/dbraw/zinc/12/50/44/823125044.db2.gz QLLWQAFMLARBOS-LBPRGKRZSA-N 0 0 377.238 4.167 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000571063029 823126666 /nfs/dbraw/zinc/12/66/66/823126666.db2.gz NQTYIHZQUPCAOM-BFUOFWGJSA-N 0 0 392.814 4.113 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000176127635 823130009 /nfs/dbraw/zinc/13/00/09/823130009.db2.gz FQFAWWIIINIWSL-OAHLLOKOSA-N 0 0 399.205 4.254 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(Oc2ccc(Cl)cc2)CC1 ZINC000571065650 823127223 /nfs/dbraw/zinc/12/72/23/823127223.db2.gz NEFSUMMSXOAYPP-UHFFFAOYSA-N 0 0 398.749 4.400 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1OC ZINC000187770521 823129657 /nfs/dbraw/zinc/12/96/57/823129657.db2.gz FPRLWHRQCMBLPO-IRXDYDNUSA-N 0 0 398.459 4.143 20 5 GIBDRN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000121167855 823131110 /nfs/dbraw/zinc/13/11/10/823131110.db2.gz IGOJNFJEMZEEJZ-SFHVURJKSA-N 0 0 385.782 4.302 20 5 GIBDRN CCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000176153359 823137442 /nfs/dbraw/zinc/13/74/42/823137442.db2.gz UEXZKALFCDDKNC-ZDUSSCGKSA-N 0 0 375.400 4.001 20 5 GIBDRN C[C@@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000056373175 823138866 /nfs/dbraw/zinc/13/88/66/823138866.db2.gz MAYLNKVNOZKRPW-BZNIZROVSA-N 0 0 375.425 4.331 20 5 GIBDRN CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000187817286 823139519 /nfs/dbraw/zinc/13/95/19/823139519.db2.gz QZTDGCZOSBEZNX-PGGUUEOZSA-N 0 0 388.489 4.289 20 5 GIBDRN Cc1c(Cc2noc(-c3cnc4c(F)ccc(F)c4c3)n2)cccc1[N+](=O)[O-] ZINC000571186856 823145715 /nfs/dbraw/zinc/14/57/15/823145715.db2.gz JZJCHGOOKZNCFE-UHFFFAOYSA-N 0 0 382.326 4.370 20 5 GIBDRN O=C(N[C@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000187832373 823142308 /nfs/dbraw/zinc/14/23/08/823142308.db2.gz TVPAZHQBOOZQCX-KDOFPFPSSA-N 0 0 386.473 4.027 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187832275 823142359 /nfs/dbraw/zinc/14/23/59/823142359.db2.gz IBIXIZJMANHINC-UHFFFAOYSA-N 0 0 396.340 4.443 20 5 GIBDRN CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000176175772 823145231 /nfs/dbraw/zinc/14/52/31/823145231.db2.gz OMTBWYKLJHCNNC-FQEVSTJZSA-N 0 0 394.427 4.126 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000571196451 823147085 /nfs/dbraw/zinc/14/70/85/823147085.db2.gz KIMWRXBPUYBKAQ-NDEPHWFRSA-N 0 0 398.488 4.312 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000571196444 823147129 /nfs/dbraw/zinc/14/71/29/823147129.db2.gz KIMWRXBPUYBKAQ-MUUNZHRXSA-N 0 0 398.488 4.312 20 5 GIBDRN CCO[C@@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000176189878 823148764 /nfs/dbraw/zinc/14/87/64/823148764.db2.gz FERKJBNPXVWTFC-INIZCTEOSA-N 0 0 399.285 4.073 20 5 GIBDRN Cc1sc(NC(=O)/C=C/c2cncc(C)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000121271899 823152441 /nfs/dbraw/zinc/15/24/41/823152441.db2.gz IKUQKVSYPZPPTH-VOTSOKGWSA-N 0 0 380.429 4.382 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000056459429 823154302 /nfs/dbraw/zinc/15/43/02/823154302.db2.gz CUNDMJWKBDEZPU-GOSISDBHSA-N 0 0 385.420 4.384 20 5 GIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000176214734 823154651 /nfs/dbraw/zinc/15/46/51/823154651.db2.gz MEXUBTOERADAKJ-GFCCVEGCSA-N 0 0 378.837 4.187 20 5 GIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000121287915 823155694 /nfs/dbraw/zinc/15/56/94/823155694.db2.gz YSCDIZSCCQFZPP-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN CCC1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCOCC1 ZINC000571309996 823163651 /nfs/dbraw/zinc/16/36/51/823163651.db2.gz OXDLIKOZLXWQNO-UHFFFAOYSA-N 0 0 398.459 4.110 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2ccccc2NCc2cccnc2)cc1[N+](=O)[O-] ZINC000176257003 823164624 /nfs/dbraw/zinc/16/46/24/823164624.db2.gz WXCTVVKZJHYEID-INIZCTEOSA-N 0 0 390.443 4.401 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000571326867 823165727 /nfs/dbraw/zinc/16/57/27/823165727.db2.gz LYPHGDIPYVXBEE-QWHCGFSZSA-N 0 0 397.410 4.458 20 5 GIBDRN Cc1coc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 ZINC000187993440 823168719 /nfs/dbraw/zinc/16/87/19/823168719.db2.gz UECSHDWMVJUZDX-UHFFFAOYSA-N 0 0 380.404 4.004 20 5 GIBDRN Cc1nc(C)n(-c2ccccc2NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000188019078 823172774 /nfs/dbraw/zinc/17/27/74/823172774.db2.gz TYHXPUOGYHJDLV-UHFFFAOYSA-N 0 0 379.420 4.168 20 5 GIBDRN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000188061497 823180021 /nfs/dbraw/zinc/18/00/21/823180021.db2.gz XRAKVNPMUHMWHG-SNVBAGLBSA-N 0 0 389.260 4.082 20 5 GIBDRN Cn1ccnc1[C@@H](NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000571423650 823180865 /nfs/dbraw/zinc/18/08/65/823180865.db2.gz FDTRWSGXLOYXCJ-KRWDZBQOSA-N 0 0 390.365 4.226 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000121427588 823182376 /nfs/dbraw/zinc/18/23/76/823182376.db2.gz NLWCRIPYRSOXMZ-IBGZPJMESA-N 0 0 383.448 4.006 20 5 GIBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000121455807 823187893 /nfs/dbraw/zinc/18/78/93/823187893.db2.gz JDEIYMQQZFWTHY-KZULUSFZSA-N 0 0 389.249 4.119 20 5 GIBDRN CCN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc21 ZINC000188131866 823191431 /nfs/dbraw/zinc/19/14/31/823191431.db2.gz VUYOTHKCSYBPTR-UHFFFAOYSA-N 0 0 381.432 4.270 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056691945 823194237 /nfs/dbraw/zinc/19/42/37/823194237.db2.gz KEPZRYNUZNARMB-SNVBAGLBSA-N 0 0 376.800 4.089 20 5 GIBDRN O=C(NCc1cc(-c2ccccc2)on1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121497950 823194738 /nfs/dbraw/zinc/19/47/38/823194738.db2.gz DRLHCJWOJRWYJS-UHFFFAOYSA-N 0 0 392.415 4.124 20 5 GIBDRN O=[N+]([O-])c1ccc([C@@H](NC[C@@H]2CCN(c3ccccc3)C2)C(F)(F)F)cc1 ZINC000571529282 823196202 /nfs/dbraw/zinc/19/62/02/823196202.db2.gz FCZOESPYZPKNEN-KBXCAEBGSA-N 0 0 379.382 4.314 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000188174108 823197871 /nfs/dbraw/zinc/19/78/71/823197871.db2.gz TXXMLYMRNWYUBQ-BLLLJJGKSA-N 0 0 390.436 4.058 20 5 GIBDRN COCCc1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000188192420 823201272 /nfs/dbraw/zinc/20/12/72/823201272.db2.gz SMRLYKMCZYYWAX-UHFFFAOYSA-N 0 0 397.475 4.272 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000459525040 823211342 /nfs/dbraw/zinc/21/13/42/823211342.db2.gz WWWLTPRLYNQIJK-QGZVFWFLSA-N 0 0 389.477 4.299 20 5 GIBDRN CC(=O)c1cccc(OCCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000176496143 823221084 /nfs/dbraw/zinc/22/10/84/823221084.db2.gz YQGBLHABYYXIBF-UHFFFAOYSA-N 0 0 384.432 4.008 20 5 GIBDRN CC(C)(NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000176496062 823221120 /nfs/dbraw/zinc/22/11/20/823221120.db2.gz YHYZMIFTBLUIQY-UHFFFAOYSA-N 0 0 393.399 4.105 20 5 GIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000056885302 823227832 /nfs/dbraw/zinc/22/78/32/823227832.db2.gz WIUMQAYXTCTCDO-UHFFFAOYSA-N 0 0 375.388 4.131 20 5 GIBDRN CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056908148 823231177 /nfs/dbraw/zinc/23/11/77/823231177.db2.gz QXKNWLVRZDOWOG-UHFFFAOYSA-N 0 0 382.395 4.354 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000571803056 823236574 /nfs/dbraw/zinc/23/65/74/823236574.db2.gz MMXROTUTOCDNIZ-UHFFFAOYSA-N 0 0 383.314 4.084 20 5 GIBDRN CSc1cccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000188414320 823237209 /nfs/dbraw/zinc/23/72/09/823237209.db2.gz KECXGTOLWXMVPJ-OAHLLOKOSA-N 0 0 392.864 4.184 20 5 GIBDRN CC(C)c1nnc2n1CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)[C@H]2C ZINC000188451728 823242448 /nfs/dbraw/zinc/24/24/48/823242448.db2.gz ZRTJEAKEHYJIHP-ZDUSSCGKSA-N 0 0 398.492 4.010 20 5 GIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(COC(F)(F)F)cc2)n1 ZINC000571838598 823242565 /nfs/dbraw/zinc/24/25/65/823242565.db2.gz MUSPRRMGCSFPGO-UHFFFAOYSA-N 0 0 379.294 4.272 20 5 GIBDRN C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC000571820030 823239235 /nfs/dbraw/zinc/23/92/35/823239235.db2.gz MHEPTWDWBPETCF-XOBRGWDASA-N 0 0 378.432 4.021 20 5 GIBDRN C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC000571820029 823239263 /nfs/dbraw/zinc/23/92/63/823239263.db2.gz MHEPTWDWBPETCF-VLIAUNLRSA-N 0 0 378.432 4.021 20 5 GIBDRN COc1ccc(CNc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000121743144 823241306 /nfs/dbraw/zinc/24/13/06/823241306.db2.gz COEBYLHGFFBQDY-UHFFFAOYSA-N 0 0 387.436 4.240 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000176594791 823243982 /nfs/dbraw/zinc/24/39/82/823243982.db2.gz MUYJDNUBJWISTH-QGZVFWFLSA-N 0 0 388.851 4.112 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000057060175 823245449 /nfs/dbraw/zinc/24/54/49/823245449.db2.gz RCNZWTBDGCRCEP-UHFFFAOYSA-N 0 0 378.812 4.054 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000121768170 823246535 /nfs/dbraw/zinc/24/65/35/823246535.db2.gz MCUGKCQVJTYCTR-UKRRQHHQSA-N 0 0 383.404 4.138 20 5 GIBDRN CCCOc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000409558829 823249170 /nfs/dbraw/zinc/24/91/70/823249170.db2.gz WBXQCQHPFUDTMK-UHFFFAOYSA-N 0 0 385.239 4.460 20 5 GIBDRN COc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc([N+](=O)[O-])c1C ZINC000188488745 823249756 /nfs/dbraw/zinc/24/97/56/823249756.db2.gz DSPQEGDQRVBYDN-LAUBAEHRSA-N 0 0 398.459 4.118 20 5 GIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2cccc(Cl)c2C1 ZINC000459682368 823249998 /nfs/dbraw/zinc/24/99/98/823249998.db2.gz RNBWFFKZFUDBNP-LBPRGKRZSA-N 0 0 384.823 4.418 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)cc([N+](=O)[O-])c1C ZINC000188506466 823252825 /nfs/dbraw/zinc/25/28/25/823252825.db2.gz QVGQOISEKGRPKY-UHFFFAOYSA-N 0 0 386.429 4.409 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(c4nc5sccn5c4[N+](=O)[O-])CC3)c2c1 ZINC000057142133 823254195 /nfs/dbraw/zinc/25/41/95/823254195.db2.gz GESIESLZXVENIH-UHFFFAOYSA-N 0 0 397.460 4.178 20 5 GIBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000409581589 823254349 /nfs/dbraw/zinc/25/43/49/823254349.db2.gz UZJZYUAZYUAFPX-ZCFIWIBFSA-N 0 0 391.193 4.188 20 5 GIBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000176638812 823255074 /nfs/dbraw/zinc/25/50/74/823255074.db2.gz QVWCEGUUINOFPD-GFCCVEGCSA-N 0 0 386.882 4.144 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000001982746 817379268 /nfs/dbraw/zinc/37/92/68/817379268.db2.gz CGZWWBXCAPWNOS-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000001984049 817379537 /nfs/dbraw/zinc/37/95/37/817379537.db2.gz MUPCGQLOPALMQT-CYBMUJFWSA-N 0 0 390.823 4.357 20 5 GIBDRN CCC[C@@H](Nc1cccc(N2CCN(C(C)=O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000188548877 823260511 /nfs/dbraw/zinc/26/05/11/823260511.db2.gz WKPXYFADMIJBIM-JOCHJYFZSA-N 0 0 396.491 4.217 20 5 GIBDRN COc1cccc(C(NC(=O)c2ccc([N+](=O)[O-])s2)c2cccc(OC)c2)c1 ZINC000176665131 823261416 /nfs/dbraw/zinc/26/14/16/823261416.db2.gz MFOAGKAGULFSMX-UHFFFAOYSA-N 0 0 398.440 4.193 20 5 GIBDRN Cc1c(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cccc1[N+](=O)[O-] ZINC000121846414 823261716 /nfs/dbraw/zinc/26/17/16/823261716.db2.gz KFBMCGGEKYKJRH-UHFFFAOYSA-N 0 0 398.400 4.116 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000176665751 823261730 /nfs/dbraw/zinc/26/17/30/823261730.db2.gz KHODCHHYKXUCRH-UHFFFAOYSA-N 0 0 389.314 4.412 20 5 GIBDRN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc([N+](=O)[O-])c1C ZINC000188571307 823263466 /nfs/dbraw/zinc/26/34/66/823263466.db2.gz VFVXLNDDWPMFQB-CQSZACIVSA-N 0 0 395.415 4.073 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccccc2F)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121878229 823268791 /nfs/dbraw/zinc/26/87/91/823268791.db2.gz RCWJDQHVOWXTHG-UHFFFAOYSA-N 0 0 387.367 4.064 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000003485123 817466635 /nfs/dbraw/zinc/46/66/35/817466635.db2.gz UEKBQNJJYOCGMA-CYBMUJFWSA-N 0 0 390.823 4.357 20 5 GIBDRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000003495221 817469238 /nfs/dbraw/zinc/46/92/38/817469238.db2.gz RUJUROAKDQPBJM-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000003496286 817469900 /nfs/dbraw/zinc/46/99/00/817469900.db2.gz UUUQNCMJQYLXEQ-SSDOTTSWSA-N 0 0 389.216 4.147 20 5 GIBDRN C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003500446 817471246 /nfs/dbraw/zinc/47/12/46/817471246.db2.gz XQQOYHXLIJWDFF-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc2oc(=O)cc(COC(=O)c3cccc([N+](=O)[O-])c3)c2cc1C(C)C ZINC000003510560 817473876 /nfs/dbraw/zinc/47/38/76/817473876.db2.gz LGXJKVXWLQVQRH-UHFFFAOYSA-N 0 0 381.384 4.490 20 5 GIBDRN C[C@H](Sc1ncnc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003515285 817475443 /nfs/dbraw/zinc/47/54/43/817475443.db2.gz SBKWXSNHWSLGPY-JTQLQIEISA-N 0 0 388.836 4.311 20 5 GIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 ZINC000003620013 817492724 /nfs/dbraw/zinc/49/27/24/817492724.db2.gz PEXQEOMNVVNWSX-UHFFFAOYSA-N 0 0 392.367 4.183 20 5 GIBDRN CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000572001233 823267973 /nfs/dbraw/zinc/26/79/73/823267973.db2.gz BZLZFAYRLXAKFH-DLBZAZTESA-N 0 0 383.448 4.096 20 5 GIBDRN CCOc1cc(OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] ZINC000188590927 823268113 /nfs/dbraw/zinc/26/81/13/823268113.db2.gz VLJMCLYZFJZCLH-UHFFFAOYSA-N 0 0 375.768 4.276 20 5 GIBDRN CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000176698356 823270494 /nfs/dbraw/zinc/27/04/94/823270494.db2.gz SFJIZOWGKUARPS-RYUDHWBXSA-N 0 0 376.400 4.408 20 5 GIBDRN CCOc1cc(NC(=O)c2cccc(SC)c2)c([N+](=O)[O-])cc1OCC ZINC000459901764 823271066 /nfs/dbraw/zinc/27/10/66/823271066.db2.gz OTAZFFRKKOGFLC-UHFFFAOYSA-N 0 0 376.434 4.366 20 5 GIBDRN COc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000005078288 817549391 /nfs/dbraw/zinc/54/93/91/817549391.db2.gz YXAJQRISXSWJEZ-UHFFFAOYSA-N 0 0 386.351 4.353 20 5 GIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCCCC1 ZINC000005109916 817551625 /nfs/dbraw/zinc/55/16/25/817551625.db2.gz OWUHBWWSFUZQRR-UHFFFAOYSA-N 0 0 382.416 4.118 20 5 GIBDRN CC(=O)c1ccc(OCCCC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000176703149 823271970 /nfs/dbraw/zinc/27/19/70/823271970.db2.gz RFCHRHQRYWPFGH-UHFFFAOYSA-N 0 0 393.399 4.143 20 5 GIBDRN CC(=O)N(c1nc(COc2ncc(C)cc2[N+](=O)[O-])cs1)c1ccc(C)cc1 ZINC000176706417 823273102 /nfs/dbraw/zinc/27/31/02/823273102.db2.gz OUCGKMUOWPNPET-UHFFFAOYSA-N 0 0 398.444 4.327 20 5 GIBDRN CC(C)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000005407447 817581021 /nfs/dbraw/zinc/58/10/21/817581021.db2.gz FOKQRMKWJKDONV-UHFFFAOYSA-N 0 0 376.796 4.167 20 5 GIBDRN C[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005534511 817592412 /nfs/dbraw/zinc/59/24/12/817592412.db2.gz UMNFYZSZZKIMBW-JTQLQIEISA-N 0 0 397.214 4.015 20 5 GIBDRN CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000176710743 823274313 /nfs/dbraw/zinc/27/43/13/823274313.db2.gz WRGJHCUPZMWGNM-HNNXBMFYSA-N 0 0 398.463 4.268 20 5 GIBDRN CC(=O)Nc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000121925003 823278014 /nfs/dbraw/zinc/27/80/14/823278014.db2.gz STHHZMBHZIBCPR-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000121936209 823280355 /nfs/dbraw/zinc/28/03/55/823280355.db2.gz HWPFUKKDACNIDK-UHFFFAOYSA-N 0 0 391.431 4.001 20 5 GIBDRN CN(Cc1csc(Br)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000057311018 823278571 /nfs/dbraw/zinc/27/85/71/823278571.db2.gz FMERHARJPKBMMM-UHFFFAOYSA-N 0 0 389.658 4.344 20 5 GIBDRN CC[C@H](C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005681926 817609139 /nfs/dbraw/zinc/60/91/39/817609139.db2.gz PFGSVJPUTVPRQV-DOXZYTNZSA-N 0 0 384.432 4.295 20 5 GIBDRN O=C(COC(=O)Cc1cccc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005713794 817611939 /nfs/dbraw/zinc/61/19/39/817611939.db2.gz ZQYRRYFVKPQSKT-UHFFFAOYSA-N 0 0 398.802 4.126 20 5 GIBDRN COc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3C)cs2)cc1 ZINC000005779587 817616501 /nfs/dbraw/zinc/61/65/01/817616501.db2.gz XTSMVKSCAUBBPX-UHFFFAOYSA-N 0 0 384.413 4.392 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005858873 817623132 /nfs/dbraw/zinc/62/31/32/817623132.db2.gz GRWLUNPSTDIWON-UHFFFAOYSA-N 0 0 381.388 4.299 20 5 GIBDRN Cc1cnc(CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)o1 ZINC000460018386 823279531 /nfs/dbraw/zinc/27/95/31/823279531.db2.gz VLFMYYSCPZRPEU-UHFFFAOYSA-N 0 0 386.433 4.285 20 5 GIBDRN CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)C1 ZINC000460017080 823279580 /nfs/dbraw/zinc/27/95/80/823279580.db2.gz TXIONOLDAIMMJF-HIFRSBDPSA-N 0 0 375.450 4.170 20 5 GIBDRN Cc1cc2oc(=O)cc(COC(=O)Cc3ccccc3[N+](=O)[O-])c2cc1C(C)C ZINC000005958558 817631909 /nfs/dbraw/zinc/63/19/09/817631909.db2.gz MVRFPKKISNPSPG-UHFFFAOYSA-N 0 0 395.411 4.419 20 5 GIBDRN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000005970749 817634096 /nfs/dbraw/zinc/63/40/96/817634096.db2.gz CTGMFOJMJUZFEJ-HNNXBMFYSA-N 0 0 379.416 4.279 20 5 GIBDRN CCCCOc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005992576 817637979 /nfs/dbraw/zinc/63/79/79/817637979.db2.gz JYKPUXHYPSTSTB-UHFFFAOYSA-N 0 0 397.387 4.181 20 5 GIBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 ZINC000006108018 817655106 /nfs/dbraw/zinc/65/51/06/817655106.db2.gz DBPFEPRZGDNFPG-UHFFFAOYSA-N 0 0 389.839 4.256 20 5 GIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188633103 823276979 /nfs/dbraw/zinc/27/69/79/823276979.db2.gz ODSPAMTYXCXEEV-HNNXBMFYSA-N 0 0 377.322 4.152 20 5 GIBDRN COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176722796 823277049 /nfs/dbraw/zinc/27/70/49/823277049.db2.gz DNQYWLDDJGZRCJ-NSHDSACASA-N 0 0 395.362 4.396 20 5 GIBDRN COc1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000006250116 817670058 /nfs/dbraw/zinc/67/00/58/817670058.db2.gz YCILDVYHMZBOKE-UHFFFAOYSA-N 0 0 393.399 4.446 20 5 GIBDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000006431511 817690653 /nfs/dbraw/zinc/69/06/53/817690653.db2.gz UHDNPXYMUNVZOM-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000006454465 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385.401 4.032 20 5 GIBDRN CCCN1C(=O)c2ccccc2N[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000007102834 817760002 /nfs/dbraw/zinc/76/00/02/817760002.db2.gz UUUWBGCQFBBFDK-FQEVSTJZSA-N 0 0 376.416 4.362 20 5 GIBDRN COc1ccc(C(=O)N2CCCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000176764678 823286986 /nfs/dbraw/zinc/28/69/86/823286986.db2.gz ZSJGMHHHUWDNOJ-UHFFFAOYSA-N 0 0 378.837 4.399 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007194236 817788153 /nfs/dbraw/zinc/78/81/53/817788153.db2.gz DUQCLNWZLCKUPK-HNNXBMFYSA-N 0 0 386.458 4.227 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c(cccc2F)s1 ZINC000007250375 817804486 /nfs/dbraw/zinc/80/44/86/817804486.db2.gz AMGZIXLMXWZSCG-UHFFFAOYSA-N 0 0 388.376 4.053 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000007280839 817810193 /nfs/dbraw/zinc/81/01/93/817810193.db2.gz UUSBIYPGLRORAP-UHFFFAOYSA-N 0 0 395.396 4.482 20 5 GIBDRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000057396838 823289874 /nfs/dbraw/zinc/28/98/74/823289874.db2.gz XNBFTJXIDCDXPA-UHFFFAOYSA-N 0 0 393.877 4.292 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176778702 823290824 /nfs/dbraw/zinc/29/08/24/823290824.db2.gz UDOSAGUZPRNGOH-GFCCVEGCSA-N 0 0 378.388 4.013 20 5 GIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000007370095 817825495 /nfs/dbraw/zinc/82/54/95/817825495.db2.gz RRNYJFQNISUDRK-KRWDZBQOSA-N 0 0 387.461 4.146 20 5 GIBDRN CC(C)[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000007369080 817825602 /nfs/dbraw/zinc/82/56/02/817825602.db2.gz LVCUVWZDUXPRGH-SFHVURJKSA-N 0 0 387.461 4.050 20 5 GIBDRN Cc1ccc(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000007393766 817829780 /nfs/dbraw/zinc/82/97/80/817829780.db2.gz CVSNTJCPZPNHPI-UHFFFAOYSA-N 0 0 390.395 4.417 20 5 GIBDRN CC[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007394361 817829829 /nfs/dbraw/zinc/82/98/29/817829829.db2.gz 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CCOc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007592638 817875349 /nfs/dbraw/zinc/87/53/49/817875349.db2.gz SKHVKVOXFDXXHI-AWEZNQCLSA-N 0 0 382.420 4.237 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(Cl)cc1Cl ZINC000007595974 817875710 /nfs/dbraw/zinc/87/57/10/817875710.db2.gz UGAGHTVVTNTDCQ-UHFFFAOYSA-N 0 0 376.199 4.174 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(Cl)c(Cl)c1 ZINC000007595976 817875854 /nfs/dbraw/zinc/87/58/54/817875854.db2.gz YZKWMMDZPDISMF-UHFFFAOYSA-N 0 0 376.199 4.174 20 5 GIBDRN Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000007605556 817878359 /nfs/dbraw/zinc/87/83/59/817878359.db2.gz YHGLEABGWCRBJI-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN COc1ccc(Br)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000007627856 817882763 /nfs/dbraw/zinc/88/27/63/817882763.db2.gz LTFFKQSHVFSOQQ-JTQLQIEISA-N 0 0 380.194 4.284 20 5 GIBDRN COc1ccc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000007655669 817889552 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GIBDRN C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015797121 818368459 /nfs/dbraw/zinc/36/84/59/818368459.db2.gz FVSCRVRYFXPIRL-CMPLNLGQSA-N 0 0 376.400 4.401 20 5 GIBDRN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000016019587 818385742 /nfs/dbraw/zinc/38/57/42/818385742.db2.gz IDQMWDXIBKEOFG-UHFFFAOYSA-N 0 0 396.447 4.042 20 5 GIBDRN CCOc1cccc2[nH]cc(CC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c21 ZINC000188958631 823334163 /nfs/dbraw/zinc/33/41/63/823334163.db2.gz WMUWARMVBSHDOE-UHFFFAOYSA-N 0 0 395.459 4.156 20 5 GIBDRN Cc1cccc(CCCOC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000122298561 823334255 /nfs/dbraw/zinc/33/42/55/823334255.db2.gz ASMZKLIJTKMKCR-UHFFFAOYSA-N 0 0 383.429 4.211 20 5 GIBDRN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409892059 823337433 /nfs/dbraw/zinc/33/74/33/823337433.db2.gz KHWWXJOUNUCFOE-CQSZACIVSA-N 0 0 377.322 4.500 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 ZINC000016197135 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823347506 /nfs/dbraw/zinc/34/75/06/823347506.db2.gz RYSJJPYNBLSSNB-NEPJUHHUSA-N 0 0 378.425 4.101 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2SC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000122390629 823348219 /nfs/dbraw/zinc/34/82/19/823348219.db2.gz JTWMPOPKTCSPRK-UHFFFAOYSA-N 0 0 397.460 4.237 20 5 GIBDRN CC[C@H](C)c1ccc([C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122402864 823349728 /nfs/dbraw/zinc/34/97/28/823349728.db2.gz HLIODLGBOQTJJV-SJCJKPOMSA-N 0 0 384.461 4.412 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000572515430 823352086 /nfs/dbraw/zinc/35/20/86/823352086.db2.gz CIDYJFUHMXSONF-KXBFYZLASA-N 0 0 390.867 4.057 20 5 GIBDRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000122441222 823354814 /nfs/dbraw/zinc/35/48/14/823354814.db2.gz AGDPYUZIBKTZJO-FOIQADDNSA-N 0 0 395.459 4.067 20 5 GIBDRN CO[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000460331386 823356117 /nfs/dbraw/zinc/35/61/17/823356117.db2.gz 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Cc1cc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000021819408 818739351 /nfs/dbraw/zinc/73/93/51/818739351.db2.gz FFMKWWBCOAZPQG-NSHDSACASA-N 0 0 378.226 4.105 20 5 GIBDRN CCNc1nnc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000022062084 818768416 /nfs/dbraw/zinc/76/84/16/818768416.db2.gz SYIDQSXBXURNRU-UHFFFAOYSA-N 0 0 386.458 4.260 20 5 GIBDRN O=C(c1ccc(-c2cnco2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356485 823362624 /nfs/dbraw/zinc/36/26/24/823362624.db2.gz OJJMBQXZGBQUKR-IBGZPJMESA-N 0 0 381.413 4.138 20 5 GIBDRN Cc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000122495937 823363267 /nfs/dbraw/zinc/36/32/67/823363267.db2.gz OWBDDPLWNPSFGD-UHFFFAOYSA-N 0 0 396.422 4.137 20 5 GIBDRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359300 823363475 /nfs/dbraw/zinc/36/34/75/823363475.db2.gz NRGMELSJYPAYCP-XIKOKIGWSA-N 0 0 392.864 4.290 20 5 GIBDRN COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000022256413 818787061 /nfs/dbraw/zinc/78/70/61/818787061.db2.gz FRDUIYFYMYUBQO-GFCCVEGCSA-N 0 0 388.445 4.143 20 5 GIBDRN O=[N+]([O-])c1cnc(NCc2sccc2Br)c(Br)c1 ZINC000122506659 823364680 /nfs/dbraw/zinc/36/46/80/823364680.db2.gz AWNCGGOWXGCCJL-UHFFFAOYSA-N 0 0 393.060 4.188 20 5 GIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000022495165 818817705 /nfs/dbraw/zinc/81/77/05/818817705.db2.gz FAEXRMTXZOOPRT-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCC(F)(F)F ZINC000022502694 818818844 /nfs/dbraw/zinc/81/88/44/818818844.db2.gz GYHWFTVZOWEKCM-UHFFFAOYSA-N 0 0 386.351 4.267 20 5 GIBDRN COc1ccc(Cc2nc(-c3ccc(C)c(N4CCCC4)c3)no2)cc1[N+](=O)[O-] ZINC000572586571 823365874 /nfs/dbraw/zinc/36/58/74/823365874.db2.gz NWZWXZBWAQRMNQ-UHFFFAOYSA-N 0 0 394.431 4.153 20 5 GIBDRN C[C@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[C@H]1C ZINC000177089017 823368379 /nfs/dbraw/zinc/36/83/79/823368379.db2.gz YGMDCAGONZSUEX-STQMWFEESA-N 0 0 399.413 4.087 20 5 GIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccncc2)cc1 ZINC000460377747 823369315 /nfs/dbraw/zinc/36/93/15/823369315.db2.gz ZFKWDKYGFIKTCB-UHFFFAOYSA-N 0 0 397.818 4.499 20 5 GIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000022911674 818875453 /nfs/dbraw/zinc/87/54/53/818875453.db2.gz MZECCXKSMUUXNB-KBPBESRZSA-N 0 0 396.399 4.072 20 5 GIBDRN COc1ccccc1-n1c(NC(=O)c2ccc([N+](=O)[O-])s2)nc2ccccc21 ZINC000460382998 823370586 /nfs/dbraw/zinc/37/05/86/823370586.db2.gz VVJXOUAWNCPJGD-UHFFFAOYSA-N 0 0 394.412 4.256 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000022985644 818884422 /nfs/dbraw/zinc/88/44/22/818884422.db2.gz RYSNIPLJXIOXMD-UHFFFAOYSA-N 0 0 393.424 4.090 20 5 GIBDRN Cc1c(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000177098058 823370672 /nfs/dbraw/zinc/37/06/72/823370672.db2.gz XNIBEBDYKOMFKK-LJQANCHMSA-N 0 0 389.427 4.266 20 5 GIBDRN CC(=O)N(c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1)c1cccc(C)c1C ZINC000022986428 818885063 /nfs/dbraw/zinc/88/50/63/818885063.db2.gz WAMWIKARILTTOE-UHFFFAOYSA-N 0 0 399.476 4.214 20 5 GIBDRN COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000023039900 818890828 /nfs/dbraw/zinc/89/08/28/818890828.db2.gz VHOUBWNRSYLSJB-UHFFFAOYSA-N 0 0 399.447 4.101 20 5 GIBDRN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000023083099 818896569 /nfs/dbraw/zinc/89/65/69/818896569.db2.gz IRLIYZPKCYLECD-CQSZACIVSA-N 0 0 382.445 4.208 20 5 GIBDRN Cc1ccccc1CNC(=O)[C@@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000023214163 818911174 /nfs/dbraw/zinc/91/11/74/818911174.db2.gz OMSUZRZBDVBOQX-GFCCVEGCSA-N 0 0 387.486 4.310 20 5 GIBDRN Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1[N+](=O)[O-] ZINC000023229206 818914658 /nfs/dbraw/zinc/91/46/58/818914658.db2.gz DTRXZTBXEHZQEJ-UHFFFAOYSA-N 0 0 382.416 4.217 20 5 GIBDRN COc1cc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)cc([N+](=O)[O-])c1C ZINC000572643894 823374039 /nfs/dbraw/zinc/37/40/39/823374039.db2.gz TVSRTFPUZGELPF-UHFFFAOYSA-N 0 0 389.371 4.086 20 5 GIBDRN Cc1cc(C)cc([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000410035625 823375981 /nfs/dbraw/zinc/37/59/81/823375981.db2.gz DIODUKRRAVMCAT-HNNXBMFYSA-N 0 0 378.432 4.103 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc([C@@H]2CCCS2)n1C1CC1)C1CC1 ZINC000572656035 823376833 /nfs/dbraw/zinc/37/68/33/823376833.db2.gz PTGKNJFZSXXHIC-KRWDZBQOSA-N 0 0 385.493 4.258 20 5 GIBDRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000024049512 819016377 /nfs/dbraw/zinc/01/63/77/819016377.db2.gz GJQYHGIHQXSJJE-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CCOc1cc2c(cc1CNc1ccc([N+](=O)[O-])c3cccnc13)O[C@@H](C)C2 ZINC000024059428 819016987 /nfs/dbraw/zinc/01/69/87/819016987.db2.gz QEFAGQJYAGITJW-ZDUSSCGKSA-N 0 0 379.416 4.477 20 5 GIBDRN C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cc2cccc(F)c2o1 ZINC000572690269 823383889 /nfs/dbraw/zinc/38/38/89/823383889.db2.gz AYMWSHDRCCTNLQ-GFCCVEGCSA-N 0 0 399.378 4.145 20 5 GIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC(C(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000572675031 823380290 /nfs/dbraw/zinc/38/02/90/823380290.db2.gz CPIUIESIEQRNLC-XOEAPDPESA-N 0 0 399.413 4.148 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000024321355 819045064 /nfs/dbraw/zinc/04/50/64/819045064.db2.gz ZHRPGCWMQYCCGD-OAHLLOKOSA-N 0 0 396.472 4.267 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000024482505 819063018 /nfs/dbraw/zinc/06/30/18/819063018.db2.gz UILWAVDBEDJZJH-QGZVFWFLSA-N 0 0 376.453 4.064 20 5 GIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nccs1 ZINC000122629408 823384767 /nfs/dbraw/zinc/38/47/67/823384767.db2.gz JJWQNEZNEUTFAV-CYBMUJFWSA-N 0 0 396.266 4.181 20 5 GIBDRN Cc1ccc(NC(=O)N(C)Cc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000058411834 823387305 /nfs/dbraw/zinc/38/73/05/823387305.db2.gz WWIIKPDORUNMEV-UHFFFAOYSA-N 0 0 396.216 4.469 20 5 GIBDRN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000189304061 823391037 /nfs/dbraw/zinc/39/10/37/823391037.db2.gz OBILBAJYISWJCZ-LLVKDONJSA-N 0 0 391.811 4.003 20 5 GIBDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000460445284 823391670 /nfs/dbraw/zinc/39/16/70/823391670.db2.gz QQBGLRJGXOBZEV-IBGZPJMESA-N 0 0 392.459 4.182 20 5 GIBDRN C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000189325756 823394587 /nfs/dbraw/zinc/39/45/87/823394587.db2.gz TWGRCIYVIHHHIV-SECBINFHSA-N 0 0 383.330 4.425 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000410133732 823398910 /nfs/dbraw/zinc/39/89/10/823398910.db2.gz DGDPKCIZXPZMGT-IYARVYRRSA-N 0 0 379.460 4.179 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccccc1 ZINC000177203009 823398316 /nfs/dbraw/zinc/39/83/16/823398316.db2.gz ZGIUIKPTTQXPOB-NEPJUHHUSA-N 0 0 377.238 4.279 20 5 GIBDRN COc1ccc(CCC2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000410140259 823399929 /nfs/dbraw/zinc/39/99/29/823399929.db2.gz QFBYJRIMQJTNDG-UHFFFAOYSA-N 0 0 397.475 4.158 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000460474284 823401115 /nfs/dbraw/zinc/40/11/15/823401115.db2.gz WGACMYRGPMWEHO-INIZCTEOSA-N 0 0 396.834 4.197 20 5 GIBDRN CCOC(=O)c1sc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1C ZINC000460476606 823402248 /nfs/dbraw/zinc/40/22/48/823402248.db2.gz PMMHVGFDJCZPDI-UHFFFAOYSA-N 0 0 382.825 4.356 20 5 GIBDRN CC(C)Oc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000058519306 823402875 /nfs/dbraw/zinc/40/28/75/823402875.db2.gz HIVBQHVTVSQUOC-UHFFFAOYSA-N 0 0 379.210 4.397 20 5 GIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCCc2ccccc21 ZINC000460485013 823404891 /nfs/dbraw/zinc/40/48/91/823404891.db2.gz GPAYAGNYYPHZKK-UHFFFAOYSA-N 0 0 376.416 4.154 20 5 GIBDRN C[C@H](C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572819545 823405314 /nfs/dbraw/zinc/40/53/14/823405314.db2.gz JOTAEJWUETWYNB-ZDUSSCGKSA-N 0 0 396.365 4.255 20 5 GIBDRN O=[N+]([O-])c1ccccc1CNc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000177235507 823406321 /nfs/dbraw/zinc/40/63/21/823406321.db2.gz QJPHLPNIIPLFTL-UHFFFAOYSA-N 0 0 382.441 4.181 20 5 GIBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000058551037 823407887 /nfs/dbraw/zinc/40/78/87/823407887.db2.gz ISLUOBNAQWPNDP-UHFFFAOYSA-N 0 0 397.441 4.331 20 5 GIBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058551243 823407958 /nfs/dbraw/zinc/40/79/58/823407958.db2.gz ONJUGGFGSFKMKN-UHFFFAOYSA-N 0 0 397.441 4.331 20 5 GIBDRN Cc1ccc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000122781096 823411088 /nfs/dbraw/zinc/41/10/88/823411088.db2.gz XFLNRNPIVOOGET-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CCO)c1ccccc1Br ZINC000572872125 823412199 /nfs/dbraw/zinc/41/21/99/823412199.db2.gz LGQVPXAFARNWLU-OAHLLOKOSA-N 0 0 399.672 4.224 20 5 GIBDRN COc1ccc(CC(=O)N[C@H](C)c2ccc(F)c3ccccc32)cc1[N+](=O)[O-] ZINC000572873611 823412269 /nfs/dbraw/zinc/41/22/69/823412269.db2.gz YESNSIWGNSXQND-CYBMUJFWSA-N 0 0 382.391 4.316 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000189434170 823415069 /nfs/dbraw/zinc/41/50/69/823415069.db2.gz WZDAXIYPJHVKJB-AWEZNQCLSA-N 0 0 390.823 4.448 20 5 GIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000189471160 823424349 /nfs/dbraw/zinc/42/43/49/823424349.db2.gz AIAZTGMMJWJQFW-UHFFFAOYSA-N 0 0 386.358 4.236 20 5 GIBDRN Cc1ccc(CC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000460525711 823419601 /nfs/dbraw/zinc/41/96/01/823419601.db2.gz XYCDKXDWEVWJES-SNVBAGLBSA-N 0 0 381.226 4.010 20 5 GIBDRN COc1cc(Cc2noc([C@@H](C)Cn3ccc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000572919541 823419689 /nfs/dbraw/zinc/41/96/89/823419689.db2.gz RKTGURPCPGWJHW-AWEZNQCLSA-N 0 0 392.415 4.336 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000189476912 823425757 /nfs/dbraw/zinc/42/57/57/823425757.db2.gz FCJXORAVRHHJNN-SNVBAGLBSA-N 0 0 396.230 4.026 20 5 GIBDRN O=C(c1ccncc1)N1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000122869967 823426460 /nfs/dbraw/zinc/42/64/60/823426460.db2.gz HHMMFGFNGUPSDF-UHFFFAOYSA-N 0 0 395.246 4.013 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H](C)[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000410231367 823427551 /nfs/dbraw/zinc/42/75/51/823427551.db2.gz CPROPAAYTVBWHB-GDBMZVCRSA-N 0 0 386.473 4.209 20 5 GIBDRN O=[N+]([O-])c1cccc(F)c1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000572969570 823427840 /nfs/dbraw/zinc/42/78/40/823427840.db2.gz AFSRSKGBRABQNC-UHFFFAOYSA-N 0 0 378.407 4.304 20 5 GIBDRN COc1ccc(-c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000460555118 823430709 /nfs/dbraw/zinc/43/07/09/823430709.db2.gz DXTFXGQNOMSDNP-UHFFFAOYSA-N 0 0 376.412 4.129 20 5 GIBDRN C[C@@H](O)C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000177316222 823431153 /nfs/dbraw/zinc/43/11/53/823431153.db2.gz BRUISYLNAMVBPQ-CZUORRHYSA-N 0 0 384.457 4.094 20 5 GIBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000189501197 823432024 /nfs/dbraw/zinc/43/20/24/823432024.db2.gz SGEVRCOJHRKXQM-QGZVFWFLSA-N 0 0 384.457 4.139 20 5 GIBDRN CC(=O)c1cc(NCc2cccc(COC3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000573033175 823437664 /nfs/dbraw/zinc/43/76/64/823437664.db2.gz WPFCRERCNFIMRE-UHFFFAOYSA-N 0 0 384.432 4.105 20 5 GIBDRN Cc1cccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000025093935 819927096 /nfs/dbraw/zinc/92/70/96/819927096.db2.gz KPVURGTXEQNDDJ-UHFFFAOYSA-N 0 0 389.249 4.471 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@H](C)CO2)c1 ZINC000460572410 823439075 /nfs/dbraw/zinc/43/90/75/823439075.db2.gz JMVZSPDWRZTJRP-DYESRHJHSA-N 0 0 396.487 4.478 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000177337568 823439054 /nfs/dbraw/zinc/43/90/54/823439054.db2.gz DXWRDDZEVGPCRF-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000025192640 819941481 /nfs/dbraw/zinc/94/14/81/819941481.db2.gz 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CCCOc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000027066797 820188311 /nfs/dbraw/zinc/18/83/11/820188311.db2.gz VYZFJELDSLGUNJ-UHFFFAOYSA-N 0 0 383.448 4.239 20 5 GIBDRN Cc1c(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000177431345 823460878 /nfs/dbraw/zinc/46/08/78/823460878.db2.gz GVQJHXLZCDXZAY-SFHVURJKSA-N 0 0 379.460 4.020 20 5 GIBDRN CC[C@@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000460630996 823461292 /nfs/dbraw/zinc/46/12/92/823461292.db2.gz XNFBPAAZHILDGP-GFCCVEGCSA-N 0 0 388.445 4.143 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000189629854 823462530 /nfs/dbraw/zinc/46/25/30/823462530.db2.gz WJIOFODOAVZVJF-INIZCTEOSA-N 0 0 390.436 4.488 20 5 GIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000027391928 820238464 /nfs/dbraw/zinc/23/84/64/820238464.db2.gz LLZHIBGMWQBQNB-UHFFFAOYSA-N 0 0 389.839 4.291 20 5 GIBDRN O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000027393155 820238781 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5 GIBDRN CC1CCN(c2ccc(C(=O)NCc3cc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 ZINC000058902911 823468683 /nfs/dbraw/zinc/46/86/83/823468683.db2.gz PVBOKPFYKPUTKX-UHFFFAOYSA-N 0 0 392.459 4.242 20 5 GIBDRN Cc1nc(-c2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000028064467 820308996 /nfs/dbraw/zinc/30/89/96/820308996.db2.gz HFRJQAAABNRNBP-UHFFFAOYSA-N 0 0 379.401 4.155 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000028400284 820332887 /nfs/dbraw/zinc/33/28/87/820332887.db2.gz HXEWUDQWSLNFNP-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000028423920 820335269 /nfs/dbraw/zinc/33/52/69/820335269.db2.gz PWXDTDHCYZFSLC-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN Cc1c(NC(=O)COc2ccc(Oc3ccccn3)cc2)cccc1[N+](=O)[O-] ZINC000028435726 820336374 /nfs/dbraw/zinc/33/63/74/820336374.db2.gz SZHJWTDCPKOWSX-UHFFFAOYSA-N 0 0 379.372 4.108 20 5 GIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000028466730 820338206 /nfs/dbraw/zinc/33/82/06/820338206.db2.gz YLRXDXNZNHEFBS-ZIAGYGMSSA-N 0 0 397.431 4.058 20 5 GIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C(F)(F)F)c1 ZINC000028614326 820345328 /nfs/dbraw/zinc/34/53/28/820345328.db2.gz KLWAUBOUGXAIIN-UHFFFAOYSA-N 0 0 393.277 4.021 20 5 GIBDRN Cc1ccccc1OCCN(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000573263212 823472876 /nfs/dbraw/zinc/47/28/76/823472876.db2.gz LFGOGRGUINVMQH-UHFFFAOYSA-N 0 0 382.338 4.073 20 5 GIBDRN Cn1ccnc1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000029068524 820389212 /nfs/dbraw/zinc/38/92/12/820389212.db2.gz UWQZSMIIICHBMC-GOSISDBHSA-N 0 0 392.440 4.062 20 5 GIBDRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3c2CCC3)cc1 ZINC000029082182 820390584 /nfs/dbraw/zinc/39/05/84/820390584.db2.gz AVZNOCYJSWFMII-UHFFFAOYSA-N 0 0 376.416 4.138 20 5 GIBDRN COc1ccc([C@H](C)N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000029105282 820393477 /nfs/dbraw/zinc/39/34/77/820393477.db2.gz OTRWKTZBBRAHSR-NSHDSACASA-N 0 0 393.237 4.199 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177493402 823475743 /nfs/dbraw/zinc/47/57/43/823475743.db2.gz BBXWBSHTISURAR-UHFFFAOYSA-N 0 0 385.811 4.340 20 5 GIBDRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000029138204 820397189 /nfs/dbraw/zinc/39/71/89/820397189.db2.gz HWKZVQSHLNWRNQ-LLVKDONJSA-N 0 0 380.347 4.086 20 5 GIBDRN O=C(NCc1ccc(Cl)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000029170905 820404977 /nfs/dbraw/zinc/40/49/77/820404977.db2.gz JJQLXXNXNNJCCL-UHFFFAOYSA-N 0 0 375.631 4.002 20 5 GIBDRN CC(C)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000029277387 820425635 /nfs/dbraw/zinc/42/56/35/820425635.db2.gz BQMCKUKWDPQLTF-UHFFFAOYSA-N 0 0 376.796 4.167 20 5 GIBDRN COc1ccc2ccccc2c1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000029305631 820433423 /nfs/dbraw/zinc/43/34/23/820433423.db2.gz MAFYHFAABUKIGG-UHFFFAOYSA-N 0 0 382.441 4.409 20 5 GIBDRN Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000029363647 820443932 /nfs/dbraw/zinc/44/39/32/820443932.db2.gz NSPVHJCVOXAPEN-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCn2c3ccccc3nc21 ZINC000029376202 820446525 /nfs/dbraw/zinc/44/65/25/820446525.db2.gz OWOGJXLYFSIXBV-UHFFFAOYSA-N 0 0 399.410 4.349 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)NC(C3CC3)C3CC3)cc2[N+](=O)[O-])n1 ZINC000029382905 820447622 /nfs/dbraw/zinc/44/76/22/820447622.db2.gz AOXUCMKUBTULFI-UHFFFAOYSA-N 0 0 389.502 4.429 20 5 GIBDRN Cc1c(OCC(=O)Nc2ccc(N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000059012573 823483317 /nfs/dbraw/zinc/48/33/17/823483317.db2.gz MEPPMKMORHSDRC-UHFFFAOYSA-N 0 0 383.448 4.301 20 5 GIBDRN Cc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000029508563 820465546 /nfs/dbraw/zinc/46/55/46/820465546.db2.gz JDPQSFSRQVLMBU-UHFFFAOYSA-N 0 0 379.372 4.108 20 5 GIBDRN CCCCOc1ccc(OC)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000029649219 820493132 /nfs/dbraw/zinc/49/31/32/820493132.db2.gz PRSXPRZOOXMQPC-UHFFFAOYSA-N 0 0 387.436 4.141 20 5 GIBDRN COc1cccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)cs2)c1OC ZINC000059011688 823482932 /nfs/dbraw/zinc/48/29/32/823482932.db2.gz XROOHMLEKMCMPX-UHFFFAOYSA-N 0 0 390.392 4.454 20 5 GIBDRN O=[N+]([O-])c1ccc(CSc2nnc(NCCc3cccs3)s2)cc1 ZINC000029740363 820509487 /nfs/dbraw/zinc/50/94/87/820509487.db2.gz KXCPVDFNAWIXTN-UHFFFAOYSA-N 0 0 378.504 4.455 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc3ccccc32)cc1OC ZINC000123250789 823485345 /nfs/dbraw/zinc/48/53/45/823485345.db2.gz DTHWYAOPKYDKHX-UHFFFAOYSA-N 0 0 380.400 4.085 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000123253937 823485835 /nfs/dbraw/zinc/48/58/35/823485835.db2.gz PZPCBCWKLQTGFJ-CQSZACIVSA-N 0 0 398.419 4.247 20 5 GIBDRN CC(C)(C)n1ncc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000573391183 823486977 /nfs/dbraw/zinc/48/69/77/823486977.db2.gz XQXKSYUMAOMJAM-UHFFFAOYSA-N 0 0 378.432 4.143 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cnccc2-c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000177544665 823487262 /nfs/dbraw/zinc/48/72/62/823487262.db2.gz ZWQHSNZJZVDRKV-UHFFFAOYSA-N 0 0 381.363 4.447 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000029936330 820550642 /nfs/dbraw/zinc/55/06/42/820550642.db2.gz UNEWPVPXSCALBV-FQEVSTJZSA-N 0 0 399.447 4.422 20 5 GIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCc2occc2C1 ZINC000573401207 823488341 /nfs/dbraw/zinc/48/83/41/823488341.db2.gz JQTYLSPXWZBQJL-UHFFFAOYSA-N 0 0 388.221 4.451 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC000460705416 823488694 /nfs/dbraw/zinc/48/86/94/823488694.db2.gz XJRBUCNFRGSQFG-VQIMIIECSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000059288605 823489962 /nfs/dbraw/zinc/48/99/62/823489962.db2.gz LWGDIRYOHYOBIJ-QGZVFWFLSA-N 0 0 395.459 4.011 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000573410939 823490147 /nfs/dbraw/zinc/49/01/47/823490147.db2.gz NMOLCLMOVHSJNW-UHFFFAOYSA-N 0 0 382.464 4.421 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCOc1ccc2ccccc2c1 ZINC000030446915 820617444 /nfs/dbraw/zinc/61/74/44/820617444.db2.gz HDMQRRWPOKRGOZ-UHFFFAOYSA-N 0 0 393.443 4.135 20 5 GIBDRN CCCOc1cccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000030494727 820623324 /nfs/dbraw/zinc/62/33/24/820623324.db2.gz APSXFNXFHHAKPY-LBPRGKRZSA-N 0 0 377.828 4.476 20 5 GIBDRN O=C(NCc1nnc(-c2ccccc2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177585141 823496705 /nfs/dbraw/zinc/49/67/05/823496705.db2.gz OORJRIPQVOUZJA-UHFFFAOYSA-N 0 0 396.453 4.258 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000177594545 823497967 /nfs/dbraw/zinc/49/79/67/823497967.db2.gz YFPQXWLTOGFBAX-HIFRSBDPSA-N 0 0 387.440 4.017 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000177594532 823498141 /nfs/dbraw/zinc/49/81/41/823498141.db2.gz YFPQXWLTOGFBAX-DZGCQCFKSA-N 0 0 387.440 4.017 20 5 GIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCc2ccccc2C1 ZINC000410488353 823498998 /nfs/dbraw/zinc/49/89/98/823498998.db2.gz ZWHNTEUYXFRWPK-CQSZACIVSA-N 0 0 378.350 4.243 20 5 GIBDRN CCCOc1ccc(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)c(C)c1 ZINC000059825862 823499920 /nfs/dbraw/zinc/49/99/20/823499920.db2.gz KHZPCGWFPALOAK-UHFFFAOYSA-N 0 0 386.404 4.121 20 5 GIBDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410551760 823503758 /nfs/dbraw/zinc/50/37/58/823503758.db2.gz VNEFYSNKHMWNPA-OCCSQVGLSA-N 0 0 376.400 4.408 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189835123 823503984 /nfs/dbraw/zinc/50/39/84/823503984.db2.gz YIWXZXXEMQWBOB-UHFFFAOYSA-N 0 0 384.457 4.025 20 5 GIBDRN CCc1ccc(C(=O)OCc2ccccc2NC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000177629906 823504356 /nfs/dbraw/zinc/50/43/56/823504356.db2.gz VUPRPYYYXMBIEK-UHFFFAOYSA-N 0 0 394.383 4.360 20 5 GIBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000031097174 820740905 /nfs/dbraw/zinc/74/09/05/820740905.db2.gz LIMAQJLCUHFBKY-UHFFFAOYSA-N 0 0 375.222 4.162 20 5 GIBDRN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177632740 823504846 /nfs/dbraw/zinc/50/48/46/823504846.db2.gz KSQAJVLRYIPSNM-UHFFFAOYSA-N 0 0 382.763 4.408 20 5 GIBDRN Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000031211395 820770380 /nfs/dbraw/zinc/77/03/80/820770380.db2.gz JAFVLSQDJXGKNJ-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410551908 823503721 /nfs/dbraw/zinc/50/37/21/823503721.db2.gz WJMZTPVFLBUIAH-KGLIPLIRSA-N 0 0 376.400 4.408 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000410622062 823506760 /nfs/dbraw/zinc/50/67/60/823506760.db2.gz HSOGTWISDUQVQJ-GOSISDBHSA-N 0 0 376.359 4.071 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC000460767119 823506861 /nfs/dbraw/zinc/50/68/61/823506861.db2.gz DWRWAHADXVNHQY-LPHOPBHVSA-N 0 0 399.495 4.049 20 5 GIBDRN COc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000410622063 823506997 /nfs/dbraw/zinc/50/69/97/823506997.db2.gz HSOGTWISDUQVQJ-SFHVURJKSA-N 0 0 376.359 4.071 20 5 GIBDRN CS(=O)(=O)c1ccc(Nc2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000031528075 820821340 /nfs/dbraw/zinc/82/13/40/820821340.db2.gz OBBXQFOLHDOVKU-UHFFFAOYSA-N 0 0 376.434 4.063 20 5 GIBDRN CC(C)CN(C(=O)[C@@H]1CC1(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000410661846 823508201 /nfs/dbraw/zinc/50/82/01/823508201.db2.gz BJASAXIMXXTEPS-LBPRGKRZSA-N 0 0 381.404 4.363 20 5 GIBDRN Cc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 ZINC000031648157 820838464 /nfs/dbraw/zinc/83/84/64/820838464.db2.gz DGBBMHRLXQXZJH-UHFFFAOYSA-N 0 0 384.417 4.074 20 5 GIBDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060127015 823509196 /nfs/dbraw/zinc/50/91/96/823509196.db2.gz PYSXSPMCMVCSGD-IBGZPJMESA-N 0 0 376.416 4.278 20 5 GIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060127014 823509246 /nfs/dbraw/zinc/50/92/46/823509246.db2.gz PYSXSPMCMVCSGD-LJQANCHMSA-N 0 0 376.416 4.278 20 5 GIBDRN COCc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000410719065 823510835 /nfs/dbraw/zinc/51/08/35/823510835.db2.gz YAOPJLXHAATXTJ-HNNXBMFYSA-N 0 0 398.337 4.330 20 5 GIBDRN Cc1nc([C@H]2CCCN2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000189921419 823514105 /nfs/dbraw/zinc/51/41/05/823514105.db2.gz YDZNYXZKDVOVHF-GOSISDBHSA-N 0 0 383.477 4.097 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCN(c2ccccc2)CC1 ZINC000410804195 823514808 /nfs/dbraw/zinc/51/48/08/823514808.db2.gz DXFRUOCFASVVJV-LJQANCHMSA-N 0 0 395.503 4.291 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1C1CCC1 ZINC000460797506 823515272 /nfs/dbraw/zinc/51/52/72/823515272.db2.gz UYQICYTZCBUWFT-LJQANCHMSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1c(C(=O)NC(C)(C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000032400347 820934519 /nfs/dbraw/zinc/93/45/19/820934519.db2.gz AJNTYLYJFQASKE-UHFFFAOYSA-N 0 0 377.238 4.331 20 5 GIBDRN O=[N+]([O-])c1c(NCc2ccnc(Oc3ccc(F)cc3)c2)nc2sccn21 ZINC000060333577 823516176 /nfs/dbraw/zinc/51/61/76/823516176.db2.gz IWVXDIIECAUIPF-UHFFFAOYSA-N 0 0 385.380 4.243 20 5 GIBDRN CCCN(C(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000410820838 823516539 /nfs/dbraw/zinc/51/65/39/823516539.db2.gz FZHVAWQIYLAYJU-RRWXTXHCSA-N 0 0 390.480 4.092 20 5 GIBDRN CCCN(C(=O)Cc1ccc(OC)c(OC)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000410820378 823516552 /nfs/dbraw/zinc/51/65/52/823516552.db2.gz BFZSQWYJLYLSPO-UHFFFAOYSA-N 0 0 392.839 4.251 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000032475811 820954297 /nfs/dbraw/zinc/95/42/97/820954297.db2.gz KNLNPLVAMKEBOE-OAHLLOKOSA-N 0 0 386.411 4.425 20 5 GIBDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032676413 820988181 /nfs/dbraw/zinc/98/81/81/820988181.db2.gz VYWZMZBDXHYKKB-INIZCTEOSA-N 0 0 391.427 4.368 20 5 GIBDRN Cc1nc2ccccc2n1CCc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000460827152 823523725 /nfs/dbraw/zinc/52/37/25/823523725.db2.gz KAIKYXAXZBSFDI-KTKRTIGZSA-N 0 0 375.388 4.049 20 5 GIBDRN O=[N+]([O-])c1cc(CSCCOc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000032793936 821008342 /nfs/dbraw/zinc/00/83/42/821008342.db2.gz XJMKTXFVDGXUPQ-UHFFFAOYSA-N 0 0 381.837 4.427 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000032935088 821020451 /nfs/dbraw/zinc/02/04/51/821020451.db2.gz GTKSAOCBFWNVPF-UHFFFAOYSA-N 0 0 382.323 4.351 20 5 GIBDRN CC(C)c1ccc(CN(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000032981630 821024359 /nfs/dbraw/zinc/02/43/59/821024359.db2.gz DCKUKDQOSRFDQJ-UHFFFAOYSA-N 0 0 378.432 4.176 20 5 GIBDRN CC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000033239935 821053536 /nfs/dbraw/zinc/05/35/36/821053536.db2.gz YBVZOOIMPLKOMH-MRXNPFEDSA-N 0 0 384.823 4.315 20 5 GIBDRN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000035281550 821064855 /nfs/dbraw/zinc/06/48/55/821064855.db2.gz WMCBXOPVDARXPZ-KRWDZBQOSA-N 0 0 392.415 4.321 20 5 GIBDRN O=C(c1ccc(Cl)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000060447160 823528784 /nfs/dbraw/zinc/52/87/84/823528784.db2.gz VDHPBLJOIKGXCB-UHFFFAOYSA-N 0 0 389.795 4.256 20 5 GIBDRN O=C(c1ccccc1)c1ccc(NCc2cccc3c2OCO3)c([N+](=O)[O-])c1 ZINC000060451587 823529206 /nfs/dbraw/zinc/52/92/06/823529206.db2.gz JXAPEZLAUYOGHE-UHFFFAOYSA-N 0 0 376.368 4.167 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC000410955848 823524499 /nfs/dbraw/zinc/52/44/99/823524499.db2.gz UFBYXLDQWYLDTB-CQSZACIVSA-N 0 0 380.322 4.300 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000410956793 823524747 /nfs/dbraw/zinc/52/47/47/823524747.db2.gz ZOENIFJZZGYFCY-AWEZNQCLSA-N 0 0 380.322 4.300 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000039587789 821119606 /nfs/dbraw/zinc/11/96/06/821119606.db2.gz HFCCOSSUOVMBPX-SECBINFHSA-N 0 0 385.203 4.316 20 5 GIBDRN CC(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460860418 823530828 /nfs/dbraw/zinc/53/08/28/823530828.db2.gz QWZIBTFSTDJORW-HNAYVOBHSA-N 0 0 399.495 4.109 20 5 GIBDRN Cc1c(NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000123677704 823530893 /nfs/dbraw/zinc/53/08/93/823530893.db2.gz IZOVZEVARBREKZ-UHFFFAOYSA-N 0 0 383.326 4.466 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000460868268 823532640 /nfs/dbraw/zinc/53/26/40/823532640.db2.gz IPCVJCKXADUMDL-AEFFLSMTSA-N 0 0 386.473 4.357 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1C ZINC000060506096 823535640 /nfs/dbraw/zinc/53/56/40/823535640.db2.gz IIFPEBXJCAVQMY-UHFFFAOYSA-N 0 0 394.880 4.218 20 5 GIBDRN COc1ccc(C(=O)CCCCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000190064920 823532979 /nfs/dbraw/zinc/53/29/79/823532979.db2.gz UOUUZFAUBVBXHD-UHFFFAOYSA-N 0 0 396.443 4.326 20 5 GIBDRN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000411014852 823533649 /nfs/dbraw/zinc/53/36/49/823533649.db2.gz LTHVZBDCDQNPNU-AEJSXWLSSA-N 0 0 396.312 4.388 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2cnn(Cc3nc4ccc(Br)cc4o3)c2)c1 ZINC000460883512 823535738 /nfs/dbraw/zinc/53/57/38/823535738.db2.gz VJOJBBHQZSHQBJ-UHFFFAOYSA-N 0 0 399.204 4.410 20 5 GIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000041411456 821189707 /nfs/dbraw/zinc/18/97/07/821189707.db2.gz RCZMPMTXAFGVFC-UHFFFAOYSA-N 0 0 383.448 4.097 20 5 GIBDRN O=C(c1scnc1C(F)(F)F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411039348 823536372 /nfs/dbraw/zinc/53/63/72/823536372.db2.gz XMJSCEVGKQGKPZ-NSHDSACASA-N 0 0 385.367 4.090 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000177857965 823537156 /nfs/dbraw/zinc/53/71/56/823537156.db2.gz QKWCVOZZBMFLDT-MRXNPFEDSA-N 0 0 397.475 4.009 20 5 GIBDRN CSc1cccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000411072600 823541435 /nfs/dbraw/zinc/54/14/35/823541435.db2.gz USOFABFYEMBUFK-UHFFFAOYSA-N 0 0 376.865 4.475 20 5 GIBDRN COc1c(F)cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(OC)c1F ZINC000411048743 823537895 /nfs/dbraw/zinc/53/78/95/823537895.db2.gz OPHSSHPVAKIQKQ-UHFFFAOYSA-N 0 0 380.347 4.068 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n(C)n1 ZINC000041829517 821234665 /nfs/dbraw/zinc/23/46/65/821234665.db2.gz NWURNDBDUICRPT-UHFFFAOYSA-N 0 0 386.795 4.335 20 5 GIBDRN C[C@@H](NC(=O)N(CCCO)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177874068 823539504 /nfs/dbraw/zinc/53/95/04/823539504.db2.gz WQYUCVCZSKPTSO-IERDGZPVSA-N 0 0 397.475 4.127 20 5 GIBDRN C[C@@H](CCc1ccco1)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000060538019 823539536 /nfs/dbraw/zinc/53/95/36/823539536.db2.gz JYVASAULACPMQD-HOTGVXAUSA-N 0 0 385.464 4.175 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1[N+](=O)[O-] ZINC000177873730 823539525 /nfs/dbraw/zinc/53/95/25/823539525.db2.gz MVEKVHFMJIRWMX-OAHLLOKOSA-N 0 0 390.443 4.457 20 5 GIBDRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000177875294 823539719 /nfs/dbraw/zinc/53/97/19/823539719.db2.gz YKJNJWKMPSWMKD-KRWDZBQOSA-N 0 0 392.459 4.256 20 5 GIBDRN COc1ccc(CSc2nnc(-c3ccco3)n2CC(C)C)cc1[N+](=O)[O-] ZINC000042113489 821267816 /nfs/dbraw/zinc/26/78/16/821267816.db2.gz NWQXHIWRQPZTPF-UHFFFAOYSA-N 0 0 388.449 4.403 20 5 GIBDRN COc1ccc(CSc2nnc3cc(C)c4ccccc4n32)cc1[N+](=O)[O-] ZINC000042129414 821271261 /nfs/dbraw/zinc/27/12/61/821271261.db2.gz FKHHCLKHXMYEAB-UHFFFAOYSA-N 0 0 380.429 4.400 20 5 GIBDRN Cc1c(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)cccc1[N+](=O)[O-] ZINC000042155992 821276275 /nfs/dbraw/zinc/27/62/75/821276275.db2.gz CCWYKGYMPPEOCS-UHFFFAOYSA-N 0 0 389.333 4.194 20 5 GIBDRN COc1ccc(CSc2nnc(COc3ccc(C)cc3)o2)cc1[N+](=O)[O-] ZINC000042157192 821276937 /nfs/dbraw/zinc/27/69/37/821276937.db2.gz SYCNYCZQLVQQRV-UHFFFAOYSA-N 0 0 387.417 4.166 20 5 GIBDRN Cc1noc(CSc2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000042864019 821340419 /nfs/dbraw/zinc/34/04/19/821340419.db2.gz VJUGVJQDDKTXAW-UHFFFAOYSA-N 0 0 384.417 4.139 20 5 GIBDRN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000042631232 821316263 /nfs/dbraw/zinc/31/62/63/821316263.db2.gz GXDWDUJRPZBTKK-UHFFFAOYSA-N 0 0 397.441 4.218 20 5 GIBDRN COC(=O)c1ccc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000042641876 821318644 /nfs/dbraw/zinc/31/86/44/821318644.db2.gz WAQPPZYGYTVCJZ-LLVKDONJSA-N 0 0 385.401 4.285 20 5 GIBDRN Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])o3)s2)cc1Cl ZINC000042707478 821326044 /nfs/dbraw/zinc/32/60/44/821326044.db2.gz JYQXCODAPWETHY-UHFFFAOYSA-N 0 0 377.809 4.449 20 5 GIBDRN Cc1cccc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)c1 ZINC000460915565 823541556 /nfs/dbraw/zinc/54/15/56/823541556.db2.gz VACHTYGKWMOTPO-IBGZPJMESA-N 0 0 393.447 4.109 20 5 GIBDRN COc1ccc(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000042918225 821344396 /nfs/dbraw/zinc/34/43/96/821344396.db2.gz KZSXJMJDSOJSAY-UHFFFAOYSA-N 0 0 398.387 4.326 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(c2cccc(F)c2)CCC1 ZINC000042918141 821344528 /nfs/dbraw/zinc/34/45/28/821344528.db2.gz CPEOZJMELZKAAL-UHFFFAOYSA-N 0 0 380.322 4.396 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1C(F)(F)F ZINC000042918751 821345245 /nfs/dbraw/zinc/34/52/45/821345245.db2.gz QMLDJWITKZXREE-UHFFFAOYSA-N 0 0 376.237 4.467 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000043034482 821355390 /nfs/dbraw/zinc/35/53/90/821355390.db2.gz UOMDUDLOODTOEK-UHFFFAOYSA-N 0 0 379.416 4.231 20 5 GIBDRN CCOc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000043118411 821363691 /nfs/dbraw/zinc/36/36/91/821363691.db2.gz XSIFSEONTFEDLF-UHFFFAOYSA-N 0 0 382.338 4.285 20 5 GIBDRN CSc1cc(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])ccc1NC(C)=O ZINC000043242353 821380323 /nfs/dbraw/zinc/38/03/23/821380323.db2.gz OQGMVWGJAWYYNI-UHFFFAOYSA-N 0 0 394.836 4.190 20 5 GIBDRN COc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1OC ZINC000043288609 821387446 /nfs/dbraw/zinc/38/74/46/821387446.db2.gz PQEWQKQOKWNJNB-UHFFFAOYSA-N 0 0 386.326 4.252 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000180685729 821394906 /nfs/dbraw/zinc/39/49/06/821394906.db2.gz QTYFRVADSVIOSY-UHFFFAOYSA-N 0 0 399.447 4.143 20 5 GIBDRN Cc1c(NC(=O)N(C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000043347266 821395786 /nfs/dbraw/zinc/39/57/86/821395786.db2.gz KDAZZMLKVVOQHG-UHFFFAOYSA-N 0 0 383.326 4.466 20 5 GIBDRN CCOc1cccc([C@@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000180696603 821399910 /nfs/dbraw/zinc/39/99/10/821399910.db2.gz PGYFYGAYYUXGRP-ZIAGYGMSSA-N 0 0 382.420 4.455 20 5 GIBDRN CCOc1cccc([C@@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000180715613 821413561 /nfs/dbraw/zinc/41/35/61/821413561.db2.gz RUYVRCGORGIGOH-GFCCVEGCSA-N 0 0 396.390 4.454 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000043500690 821419506 /nfs/dbraw/zinc/41/95/06/821419506.db2.gz FJBRDNNWXFLWCN-UHFFFAOYSA-N 0 0 397.309 4.102 20 5 GIBDRN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000180784668 821456577 /nfs/dbraw/zinc/45/65/77/821456577.db2.gz GNKCYAHFHDPNHL-UHFFFAOYSA-N 0 0 395.337 4.204 20 5 GIBDRN COc1ccc(NC(=O)CCSc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000043813093 821462577 /nfs/dbraw/zinc/46/25/77/821462577.db2.gz NKIPXFDPCSZVLU-UHFFFAOYSA-N 0 0 398.444 4.114 20 5 GIBDRN CCCOc1cc(NC(=O)N(C)Cc2ccco2)c([N+](=O)[O-])cc1OCCC ZINC000043878403 821482236 /nfs/dbraw/zinc/48/22/36/821482236.db2.gz HYJOBTVQCNIIDU-UHFFFAOYSA-N 0 0 391.424 4.429 20 5 GIBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000180836056 821487433 /nfs/dbraw/zinc/48/74/33/821487433.db2.gz RMEJECLIWNJVLV-UHFFFAOYSA-N 0 0 390.848 4.108 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000180839504 821488785 /nfs/dbraw/zinc/48/87/85/821488785.db2.gz UVRRMSHHTAZEPA-UHFFFAOYSA-N 0 0 398.806 4.057 20 5 GIBDRN COC(=O)/C=C/c1ccc(Sc2nnc(-c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000043930006 821490975 /nfs/dbraw/zinc/49/09/75/821490975.db2.gz DQDGGIVKMXLZMA-FNORWQNLSA-N 0 0 389.414 4.044 20 5 GIBDRN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 ZINC000180917926 821537415 /nfs/dbraw/zinc/53/74/15/821537415.db2.gz IGXCEKBOPOYMLX-UHFFFAOYSA-N 0 0 390.852 4.345 20 5 GIBDRN Cc1c(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000044288006 821560729 /nfs/dbraw/zinc/56/07/29/821560729.db2.gz JJFIRDSPSFZJIE-UHFFFAOYSA-N 0 0 385.420 4.431 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1csc([N+](=O)[O-])c1 ZINC000044525661 821600238 /nfs/dbraw/zinc/60/02/38/821600238.db2.gz VDVAGHXFIAJBSE-UHFFFAOYSA-N 0 0 380.275 4.111 20 5 GIBDRN COCc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000044549619 821606490 /nfs/dbraw/zinc/60/64/90/821606490.db2.gz WVTLRSLVGRKTAC-IYBDPMFKSA-N 0 0 397.475 4.476 20 5 GIBDRN O=C(Nc1cccc(N2CCNC2=O)c1)c1cc2ccccc2c2cccnc12 ZINC000044574745 821612732 /nfs/dbraw/zinc/61/27/32/821612732.db2.gz NAHAHQKLGCKJCO-UHFFFAOYSA-N 0 0 382.423 4.170 20 5 GIBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181055281 821612910 /nfs/dbraw/zinc/61/29/10/821612910.db2.gz CBWBSMUETIHLGF-GFCCVEGCSA-N 0 0 396.472 4.408 20 5 GIBDRN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000044618333 821623246 /nfs/dbraw/zinc/62/32/46/821623246.db2.gz GOCDOGTWXTVLGB-NSHDSACASA-N 0 0 391.374 4.262 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000044634273 821631169 /nfs/dbraw/zinc/63/11/69/821631169.db2.gz FUSZYNMJCAHIBP-UHFFFAOYSA-N 0 0 390.399 4.111 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044634837 821631933 /nfs/dbraw/zinc/63/19/33/821631933.db2.gz IDVYPEVOXMPIPJ-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN COC(=O)c1cc2cc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])ccc2o1 ZINC000044659696 821639305 /nfs/dbraw/zinc/63/93/05/821639305.db2.gz BTBZORWYVUNFQL-UHFFFAOYSA-N 0 0 386.385 4.102 20 5 GIBDRN O=C(CC1CCC(C(F)(F)F)CC1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000181121997 821647044 /nfs/dbraw/zinc/64/70/44/821647044.db2.gz HEXLEVJVPCPIMS-UHFFFAOYSA-N 0 0 397.357 4.077 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000181125800 821649188 /nfs/dbraw/zinc/64/91/88/821649188.db2.gz IDEBNFNCKZIRMI-UHFFFAOYSA-N 0 0 393.365 4.048 20 5 GIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000044876465 821675627 /nfs/dbraw/zinc/67/56/27/821675627.db2.gz SMDUJZVYYFJLNM-KRWDZBQOSA-N 0 0 395.459 4.011 20 5 GIBDRN COc1ccc([C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C(F)(F)F)cc1 ZINC000181335223 821767041 /nfs/dbraw/zinc/76/70/41/821767041.db2.gz AEJJSKIUKVGAFT-INIZCTEOSA-N 0 0 393.321 4.118 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181412427 821811783 /nfs/dbraw/zinc/81/17/83/821811783.db2.gz XPSWQVOFMRTNSF-DOTOQJQBSA-N 0 0 375.812 4.208 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181412461 821811925 /nfs/dbraw/zinc/81/19/25/821811925.db2.gz XPSWQVOFMRTNSF-RDJZCZTQSA-N 0 0 375.812 4.208 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181418621 821816428 /nfs/dbraw/zinc/81/64/28/821816428.db2.gz PDRNJUBUOPUXOY-MRXNPFEDSA-N 0 0 397.475 4.360 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CSCc3nnc(C4CC4)n3C3CC3)co2)cc1 ZINC000181493811 821852217 /nfs/dbraw/zinc/85/22/17/821852217.db2.gz YUYWUEUDLHDCGM-UHFFFAOYSA-N 0 0 397.460 4.487 20 5 GIBDRN Cn1c(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1C1CCC1 ZINC000181493748 821852240 /nfs/dbraw/zinc/85/22/40/821852240.db2.gz VIOQBEHFJPRJNC-UHFFFAOYSA-N 0 0 385.449 4.079 20 5 GIBDRN COc1cc(CNc2nc3ccccc3o2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181502604 821856705 /nfs/dbraw/zinc/85/67/05/821856705.db2.gz PKKPNWFGFPKPDZ-UHFFFAOYSA-N 0 0 397.309 4.298 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc2ccccc2s1 ZINC000181611834 821903249 /nfs/dbraw/zinc/90/32/49/821903249.db2.gz ACGZCRFJLZESBW-UHFFFAOYSA-N 0 0 393.877 4.266 20 5 GIBDRN COc1cc(CNc2nnc(C(C)C)o2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000181625051 821909391 /nfs/dbraw/zinc/90/93/91/821909391.db2.gz KWAIEYSCHZZSAQ-UHFFFAOYSA-N 0 0 398.419 4.301 20 5 GIBDRN CSc1c(F)cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1F ZINC000181667900 821934308 /nfs/dbraw/zinc/93/43/08/821934308.db2.gz PSBVXNGXOHPARH-UHFFFAOYSA-N 0 0 390.371 4.033 20 5 GIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000181729332 821964406 /nfs/dbraw/zinc/96/44/06/821964406.db2.gz WAJOSBXFVABQPE-ZDUSSCGKSA-N 0 0 395.381 4.386 20 5 GIBDRN CCc1cnc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000181786498 821991865 /nfs/dbraw/zinc/99/18/65/821991865.db2.gz XDNLUGRCGPJSDA-UHFFFAOYSA-N 0 0 388.371 4.296 20 5 GIBDRN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2)c1 ZINC000181859639 822018939 /nfs/dbraw/zinc/01/89/39/822018939.db2.gz AOJCAVTUURRKOG-HNNXBMFYSA-N 0 0 393.447 4.096 20 5 GIBDRN Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(-c2cccs2)n1 ZINC000181957674 822045755 /nfs/dbraw/zinc/04/57/55/822045755.db2.gz LUAPWVQGWVKGPE-UHFFFAOYSA-N 0 0 396.350 4.328 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cccc1[N+](=O)[O-] ZINC000181996089 822057029 /nfs/dbraw/zinc/05/70/29/822057029.db2.gz NDPZJQKTVDXKBE-UHFFFAOYSA-N 0 0 388.383 4.288 20 5 GIBDRN COc1ccc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1Br ZINC000182072330 822082050 /nfs/dbraw/zinc/08/20/50/822082050.db2.gz IZJFVQBZNMJOTN-SNVBAGLBSA-N 0 0 383.217 4.356 20 5 GIBDRN CC(=O)c1ccc(NCCCc2nc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 ZINC000182084440 822087059 /nfs/dbraw/zinc/08/70/59/822087059.db2.gz XFEJKXHNGCKDFZ-UHFFFAOYSA-N 0 0 384.367 4.031 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2sc(-c3ccccc3)nc2C)cc([N+](=O)[O-])c1 ZINC000182097537 822092682 /nfs/dbraw/zinc/09/26/82/822092682.db2.gz AEFKVMWHFVHGJJ-UHFFFAOYSA-N 0 0 397.412 4.066 20 5 GIBDRN CC(=O)Nc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1C ZINC000182113534 822099103 /nfs/dbraw/zinc/09/91/03/822099103.db2.gz SANXEEYETNROMX-UHFFFAOYSA-N 0 0 393.852 4.246 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000182239550 822162003 /nfs/dbraw/zinc/16/20/03/822162003.db2.gz PXLVCRKBCXUIAB-JTQLQIEISA-N 0 0 384.358 4.021 20 5 GIBDRN C[C@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182277851 822183943 /nfs/dbraw/zinc/18/39/43/822183943.db2.gz XJUVQYDKQNNHNC-NSHDSACASA-N 0 0 382.338 4.097 20 5 GIBDRN CC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000182279247 822184542 /nfs/dbraw/zinc/18/45/42/822184542.db2.gz ASSHKJFTCXWZRH-UHFFFAOYSA-N 0 0 397.612 4.466 20 5 GIBDRN Cc1ccc(C(=O)NC2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000182302695 822193913 /nfs/dbraw/zinc/19/39/13/822193913.db2.gz FQFVBGRIULORGC-UHFFFAOYSA-N 0 0 393.896 4.013 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] ZINC000182428489 822240315 /nfs/dbraw/zinc/24/03/15/822240315.db2.gz XBBRKYRRFNTIIA-UHFFFAOYSA-N 0 0 395.440 4.147 20 5 GIBDRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000182433860 822241165 /nfs/dbraw/zinc/24/11/65/822241165.db2.gz WCRALGJZVZLTFU-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000177944760 822252232 /nfs/dbraw/zinc/25/22/32/822252232.db2.gz MJTXOTAQGIRNPL-IBGZPJMESA-N 0 0 396.834 4.232 20 5 GIBDRN CCOc1ccc([C@H](C)Nc2ccn(CCc3ccncc3)n2)cc1[N+](=O)[O-] ZINC000182473411 822256407 /nfs/dbraw/zinc/25/64/07/822256407.db2.gz NTOSTYQNXFYGLY-HNNXBMFYSA-N 0 0 381.436 4.001 20 5 GIBDRN COc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])c1 ZINC000182484197 822260852 /nfs/dbraw/zinc/26/08/52/822260852.db2.gz VTLGZNVAYYCDEY-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000182494549 822266047 /nfs/dbraw/zinc/26/60/47/822266047.db2.gz DBAKCMIAMHSXAY-RHSMWYFYSA-N 0 0 392.864 4.230 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(OC(F)F)cc1 ZINC000182532133 822286439 /nfs/dbraw/zinc/28/64/39/822286439.db2.gz YHCILJLXYJWUEK-WDEREUQCSA-N 0 0 382.338 4.316 20 5 GIBDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178031868 822290929 /nfs/dbraw/zinc/29/09/29/822290929.db2.gz JJHBOPUREJWCHN-HCXYCLFGSA-N 0 0 380.513 4.198 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000178064792 822306156 /nfs/dbraw/zinc/30/61/56/822306156.db2.gz UCAKNDPAWPWTEH-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN CCCO[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182637722 822333988 /nfs/dbraw/zinc/33/39/88/822333988.db2.gz MDMSWWALMAIAFK-CQSZACIVSA-N 0 0 386.901 4.148 20 5 GIBDRN O=C(NCc1csc(-c2ccco2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178177344 822343384 /nfs/dbraw/zinc/34/33/84/822343384.db2.gz XVBHOXDZQYGNOS-UHFFFAOYSA-N 0 0 385.426 4.456 20 5 GIBDRN CC[C@H](c1ccncc1)N(C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182667055 822344869 /nfs/dbraw/zinc/34/48/69/822344869.db2.gz BPBDDHZYACVDDP-OAHLLOKOSA-N 0 0 395.406 4.225 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182687200 822351068 /nfs/dbraw/zinc/35/10/68/822351068.db2.gz JAMDZKRDTXLQSW-LLVKDONJSA-N 0 0 391.449 4.045 20 5 GIBDRN C[C@H](Nc1ccc(Cl)c(OC(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182710739 822356899 /nfs/dbraw/zinc/35/68/99/822356899.db2.gz GZLWMTJJGRZVGX-VIFPVBQESA-N 0 0 385.754 4.289 20 5 GIBDRN COc1cc(CSCC(=O)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000182745044 822361275 /nfs/dbraw/zinc/36/12/75/822361275.db2.gz NCJYPDUCXGSLPG-UHFFFAOYSA-N 0 0 377.409 4.096 20 5 GIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ccccc3[N+](=O)[O-])oc21 ZINC000045133083 822365202 /nfs/dbraw/zinc/36/52/02/822365202.db2.gz BXCHKSOYWUJVSB-CYBMUJFWSA-N 0 0 383.404 4.300 20 5 GIBDRN Cc1sc(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc1[N+](=O)[O-] ZINC000045143538 822365402 /nfs/dbraw/zinc/36/54/02/822365402.db2.gz ATHYOUFHAQFUFR-UHFFFAOYSA-N 0 0 380.495 4.050 20 5 GIBDRN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000182777484 822365947 /nfs/dbraw/zinc/36/59/47/822365947.db2.gz GTONATIHLFJWJA-CYBMUJFWSA-N 0 0 378.228 4.046 20 5 GIBDRN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000045186790 822368719 /nfs/dbraw/zinc/36/87/19/822368719.db2.gz VTKRCRFSHLGDLX-UHFFFAOYSA-N 0 0 386.411 4.206 20 5 GIBDRN C[C@@H](c1ccccc1F)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045191680 822369258 /nfs/dbraw/zinc/36/92/58/822369258.db2.gz QAHSKOKOTOMPLK-HNNXBMFYSA-N 0 0 385.439 4.170 20 5 GIBDRN C[C@H](C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000182817083 822372314 /nfs/dbraw/zinc/37/23/14/822372314.db2.gz MLSOYOIXWIHVHN-VIFPVBQESA-N 0 0 391.424 4.088 20 5 GIBDRN C[C@@H](O)C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182820987 822372836 /nfs/dbraw/zinc/37/28/36/822372836.db2.gz QSKDHGMDRVDFFG-UONOGXRCSA-N 0 0 380.510 4.014 20 5 GIBDRN Cc1cccc(OC(F)F)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182823286 822373334 /nfs/dbraw/zinc/37/33/34/822373334.db2.gz WFPFWCCVJBGZGC-UHFFFAOYSA-N 0 0 388.273 4.358 20 5 GIBDRN COc1cc(CSCc2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182827709 822374153 /nfs/dbraw/zinc/37/41/53/822374153.db2.gz UGDJVOMWALSXLE-UHFFFAOYSA-N 0 0 390.433 4.446 20 5 GIBDRN CC(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000453477133 822374511 /nfs/dbraw/zinc/37/45/11/822374511.db2.gz HCCHARALSDXWPK-IBGZPJMESA-N 0 0 399.495 4.253 20 5 GIBDRN O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(Br)c2)c2ccncc21 ZINC000178424739 822378049 /nfs/dbraw/zinc/37/80/49/822378049.db2.gz IJPANHLEACDRDF-MRXNPFEDSA-N 0 0 388.221 4.051 20 5 GIBDRN CCOc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] ZINC000045354633 822380722 /nfs/dbraw/zinc/38/07/22/822380722.db2.gz LQWJOGAFALRMMJ-UHFFFAOYSA-N 0 0 375.431 4.431 20 5 GIBDRN O=C(NCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178466697 822382200 /nfs/dbraw/zinc/38/22/00/822382200.db2.gz HGCNHCLNQQMWRO-UHFFFAOYSA-N 0 0 397.334 4.260 20 5 GIBDRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000182878651 822384643 /nfs/dbraw/zinc/38/46/43/822384643.db2.gz SXKBAOJTBAKNHY-VIFPVBQESA-N 0 0 385.392 4.103 20 5 GIBDRN C[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178501898 822385711 /nfs/dbraw/zinc/38/57/11/822385711.db2.gz FKHKHKCRGVUVOU-HNNXBMFYSA-N 0 0 399.447 4.214 20 5 GIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000045446731 822387945 /nfs/dbraw/zinc/38/79/45/822387945.db2.gz KQQDXLNAARTPLM-UHFFFAOYSA-N 0 0 389.839 4.174 20 5 GIBDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000045457948 822388556 /nfs/dbraw/zinc/38/85/56/822388556.db2.gz UDZUKFKYEQULGH-SECBINFHSA-N 0 0 399.191 4.469 20 5 GIBDRN C[C@H](C(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182903532 822389439 /nfs/dbraw/zinc/38/94/39/822389439.db2.gz QCANTRMGGAVSSI-AWEZNQCLSA-N 0 0 395.390 4.450 20 5 GIBDRN 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ZINC000455132756 822594277 /nfs/dbraw/zinc/59/42/77/822594277.db2.gz AODIMYRRRNNWKT-UHFFFAOYSA-N 0 0 395.459 4.308 20 5 GIBDRN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000180012263 822596360 /nfs/dbraw/zinc/59/63/60/822596360.db2.gz RZQCVDZUENYVRD-APPDUMDISA-N 0 0 389.839 4.209 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000455170266 822601194 /nfs/dbraw/zinc/60/11/94/822601194.db2.gz NOWVLPKGENTYRL-KRWDZBQOSA-N 0 0 395.419 4.239 20 5 GIBDRN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000180037807 822602211 /nfs/dbraw/zinc/60/22/11/822602211.db2.gz KWOOGWFACBLWLH-OAHLLOKOSA-N 0 0 385.754 4.036 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000455178265 822602565 /nfs/dbraw/zinc/60/25/65/822602565.db2.gz ZYITVQRRZSJQJJ-MRXNPFEDSA-N 0 0 397.353 4.167 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000184294756 822610198 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O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000051379496 822758204 /nfs/dbraw/zinc/75/82/04/822758204.db2.gz MBVYHJLBKZROSQ-GOSISDBHSA-N 0 0 395.440 4.401 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)COc2ccc3ccccc3c2)cc1 ZINC000051451881 822760652 /nfs/dbraw/zinc/76/06/52/822760652.db2.gz ZCLXXFFLILKPCY-FQEVSTJZSA-N 0 0 389.411 4.051 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185304603 822762653 /nfs/dbraw/zinc/76/26/53/822762653.db2.gz CLSGLRVQYQJUOG-JKSUJKDBSA-N 0 0 390.361 4.307 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000051582535 822766246 /nfs/dbraw/zinc/76/62/46/822766246.db2.gz ILSBAEIMMOKEAG-SFHVURJKSA-N 0 0 387.411 4.255 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000185339801 822768357 /nfs/dbraw/zinc/76/83/57/822768357.db2.gz KFSGNTQZZINEPE-ZDUSSCGKSA-N 0 0 385.395 4.077 20 5 GIBDRN COc1ccc(C(=O)C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000051621745 822769307 /nfs/dbraw/zinc/76/93/07/822769307.db2.gz VVEGRKZCSYASSN-UHFFFAOYSA-N 0 0 391.427 4.251 20 5 GIBDRN Cc1c(OC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] ZINC000051706169 822775212 /nfs/dbraw/zinc/77/52/12/822775212.db2.gz NWRVUSDBKXSKDT-UHFFFAOYSA-N 0 0 385.351 4.021 20 5 GIBDRN Cc1oc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2c1C ZINC000185403701 822779502 /nfs/dbraw/zinc/77/95/02/822779502.db2.gz HODZULDEXCTEQN-UHFFFAOYSA-N 0 0 377.356 4.052 20 5 GIBDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456115504 822779580 /nfs/dbraw/zinc/77/95/80/822779580.db2.gz IFUAYJQQDNAICB-WDEREUQCSA-N 0 0 394.777 4.207 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnc(C)o2)c1 ZINC000185414624 822780912 /nfs/dbraw/zinc/78/09/12/822780912.db2.gz NLOYJOLMBBKXOM-OAHLLOKOSA-N 0 0 380.404 4.161 20 5 GIBDRN CSc1ccc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000174396599 822783942 /nfs/dbraw/zinc/78/39/42/822783942.db2.gz YGEOKHQPUHKJIK-KDOFPFPSSA-N 0 0 386.473 4.227 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2c(C)cccc2SC)c([N+](=O)[O-])c1 ZINC000185439674 822784121 /nfs/dbraw/zinc/78/41/21/822784121.db2.gz YQABXMYGUAENJE-UHFFFAOYSA-N 0 0 375.450 4.074 20 5 GIBDRN O=C(N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1(c2cccnc2)CCCC1 ZINC000456149167 822784323 /nfs/dbraw/zinc/78/43/23/822784323.db2.gz SQYHZDKSZJNBGG-SFHVURJKSA-N 0 0 379.460 4.208 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NC(C)(C)C2CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000456151956 822784494 /nfs/dbraw/zinc/78/44/94/822784494.db2.gz WLLUAYKKFBATTO-AWEZNQCLSA-N 0 0 382.464 4.471 20 5 GIBDRN CCC(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cc1 ZINC000456170096 822786136 /nfs/dbraw/zinc/78/61/36/822786136.db2.gz BELWIWUGCPWIKO-UHFFFAOYSA-N 0 0 385.420 4.025 20 5 GIBDRN CC(=O)c1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000185455213 822786517 /nfs/dbraw/zinc/78/65/17/822786517.db2.gz QWNYTULCSLIONZ-UHFFFAOYSA-N 0 0 393.399 4.143 20 5 GIBDRN COc1ccc2c(CC(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)coc2c1 ZINC000185459557 822787009 /nfs/dbraw/zinc/78/70/09/822787009.db2.gz RELAMJABUOKLSM-UHFFFAOYSA-N 0 0 377.356 4.079 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000185473134 822788213 /nfs/dbraw/zinc/78/82/13/822788213.db2.gz NPAULCSKSSWWNW-IBGZPJMESA-N 0 0 395.503 4.291 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000185482591 822789260 /nfs/dbraw/zinc/78/92/60/822789260.db2.gz NJOQSZCDBRWFIN-KRWDZBQOSA-N 0 0 390.443 4.284 20 5 GIBDRN O=C(N[C@@H]1CC12CCOCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000456241253 822789416 /nfs/dbraw/zinc/78/94/16/822789416.db2.gz LKKQICZLGUPIDU-GOSISDBHSA-N 0 0 384.457 4.045 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000456242738 822789562 /nfs/dbraw/zinc/78/95/62/822789562.db2.gz FIBWWFBUIJDCNR-LBPRGKRZSA-N 0 0 394.374 4.098 20 5 GIBDRN O=C(Nc1ccccc1CC(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000174448346 822790991 /nfs/dbraw/zinc/79/09/91/822790991.db2.gz BBSGMHYPEZKDSP-UHFFFAOYSA-N 0 0 390.321 4.138 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000185512061 822792190 /nfs/dbraw/zinc/79/21/90/822792190.db2.gz FSHAIKNIEOKWSE-GDBMZVCRSA-N 0 0 394.431 4.091 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(F)c(Cl)c2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185516110 822792680 /nfs/dbraw/zinc/79/26/80/822792680.db2.gz VXKVZDDHXPFZNB-UHFFFAOYSA-N 0 0 392.749 4.273 20 5 GIBDRN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000174464382 822793888 /nfs/dbraw/zinc/79/38/88/822793888.db2.gz UDMBNGGBFJJYAE-DIFFPNOSSA-N 0 0 393.802 4.381 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000174466593 822794134 /nfs/dbraw/zinc/79/41/34/822794134.db2.gz WEYDAPVYENDCQW-SNVBAGLBSA-N 0 0 398.872 4.466 20 5 GIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3sc4c(c32)CCCC4)c1 ZINC000052279194 822795430 /nfs/dbraw/zinc/79/54/30/822795430.db2.gz BEHDAMNSVIRWOR-UHFFFAOYSA-N 0 0 385.401 4.057 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)nn1-c1cccc(F)c1 ZINC000185557025 822796128 /nfs/dbraw/zinc/79/61/28/822796128.db2.gz GVUYQLNDTQTHJP-LBPRGKRZSA-N 0 0 386.358 4.109 20 5 GIBDRN C[C@@H](NC(=O)NCC1(CCOCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000185600112 822800880 /nfs/dbraw/zinc/80/08/80/822800880.db2.gz XIZIFDCQPANDQN-QGZVFWFLSA-N 0 0 397.475 4.342 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000185603131 822801188 /nfs/dbraw/zinc/80/11/88/822801188.db2.gz GZSMIZJPOVWKCF-UHFFFAOYSA-N 0 0 385.420 4.053 20 5 GIBDRN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c(C)c1O ZINC000185668904 822808519 /nfs/dbraw/zinc/80/85/19/822808519.db2.gz HZQSWZIKOMYRAD-UHFFFAOYSA-N 0 0 393.237 4.169 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000456528177 822813260 /nfs/dbraw/zinc/81/32/60/822813260.db2.gz HNPUIAHFDHPFPW-IAQYHMDHSA-N 0 0 378.475 4.028 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456568483 822816889 /nfs/dbraw/zinc/81/68/89/822816889.db2.gz PFBRKPWQMLSLST-PXAZEXFGSA-N 0 0 390.823 4.362 20 5 GIBDRN Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000052986918 822817599 /nfs/dbraw/zinc/81/75/99/822817599.db2.gz PYZYFODQTGBNDZ-MRXNPFEDSA-N 0 0 390.461 4.086 20 5 GIBDRN COc1cccc(-c2noc([C@@H](C)NC/C=C/c3ccccc3[N+](=O)[O-])n2)c1 ZINC000174657560 822819408 /nfs/dbraw/zinc/81/94/08/822819408.db2.gz LPORMSXAJAAXBL-VIIAAUOXSA-N 0 0 380.404 4.017 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1NC(=O)c1ccco1 ZINC000174661574 822820109 /nfs/dbraw/zinc/82/01/09/822820109.db2.gz GTQBABKGHQTTOB-FMIVXFBMSA-N 0 0 392.367 4.197 20 5 GIBDRN Cc1c(C(=O)OCc2ccccc2NC(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000174663458 822820402 /nfs/dbraw/zinc/82/04/02/822820402.db2.gz JAQYMRXJBLZCAK-UHFFFAOYSA-N 0 0 380.356 4.106 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cc(COc3ccccc3F)on2)cc1[N+](=O)[O-] ZINC000185782988 822820740 /nfs/dbraw/zinc/82/07/40/822820740.db2.gz MQNJSSCPWWXCIT-ZDUSSCGKSA-N 0 0 399.378 4.100 20 5 GIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185792343 822821703 /nfs/dbraw/zinc/82/17/03/822821703.db2.gz YFNULAWSGAHAIW-UHFFFAOYSA-N 0 0 385.811 4.064 20 5 GIBDRN C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053125756 822822822 /nfs/dbraw/zinc/82/28/22/822822822.db2.gz DKOQLOXGZANOIU-JTQLQIEISA-N 0 0 383.782 4.158 20 5 GIBDRN O=C(CN(Cc1ccc(F)cc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053131789 822823021 /nfs/dbraw/zinc/82/30/21/822823021.db2.gz HZZMTBYWLXZACF-UHFFFAOYSA-N 0 0 395.793 4.130 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccc(F)cc3F)C3CC3)n2)cc1 ZINC000053138720 822823166 /nfs/dbraw/zinc/82/31/66/822823166.db2.gz UXGREMZUGVDDAY-UHFFFAOYSA-N 0 0 386.358 4.088 20 5 GIBDRN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cn(C)c2ccccc12 ZINC000185835636 822825751 /nfs/dbraw/zinc/82/57/51/822825751.db2.gz AYTIGKGIXLRYCF-HNNXBMFYSA-N 0 0 377.444 4.381 20 5 GIBDRN CC(C)c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cnn(C(C)C)c2n1 ZINC000053216127 822826375 /nfs/dbraw/zinc/82/63/75/822826375.db2.gz VVDYCTOCURXAHX-UHFFFAOYSA-N 0 0 395.463 4.016 20 5 GIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c21 ZINC000053218479 822826447 /nfs/dbraw/zinc/82/64/47/822826447.db2.gz BBYMLHMERUSDDF-UHFFFAOYSA-N 0 0 394.431 4.104 20 5 GIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000185900353 822831447 /nfs/dbraw/zinc/83/14/47/822831447.db2.gz VREFKGNWCQVUHF-RHSMWYFYSA-N 0 0 383.876 4.031 20 5 GIBDRN CN1Cc2cc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000185903008 822831711 /nfs/dbraw/zinc/83/17/11/822831711.db2.gz CMTKNOUCWLQSOQ-UHFFFAOYSA-N 0 0 382.420 4.122 20 5 GIBDRN CC(C)(O)C(C)(C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000456805279 822832852 /nfs/dbraw/zinc/83/28/52/822832852.db2.gz WNHDGBYAKDJUDB-UHFFFAOYSA-N 0 0 388.489 4.273 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)NCCC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053429006 822834932 /nfs/dbraw/zinc/83/49/32/822834932.db2.gz BRZCSBAGMHAFDW-OAHLLOKOSA-N 0 0 382.464 4.473 20 5 GIBDRN CC[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000053481565 822837097 /nfs/dbraw/zinc/83/70/97/822837097.db2.gz HTPMNTVBDAUDOV-HOTGVXAUSA-N 0 0 382.464 4.425 20 5 GIBDRN O=C(CCC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000456841516 822837273 /nfs/dbraw/zinc/83/72/73/822837273.db2.gz QIYXOTVTKNMQGO-SFHVURJKSA-N 0 0 388.370 4.200 20 5 GIBDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456856245 822838423 /nfs/dbraw/zinc/83/84/23/822838423.db2.gz RWIGAOROXZVLAQ-HXUWFJFHSA-N 0 0 381.407 4.430 20 5 GIBDRN CSc1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000185966380 822838794 /nfs/dbraw/zinc/83/87/94/822838794.db2.gz AONXULGCECPELQ-INIZCTEOSA-N 0 0 392.864 4.184 20 5 GIBDRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456862901 822839092 /nfs/dbraw/zinc/83/90/92/822839092.db2.gz 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COc1cccc([C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000174854029 822846685 /nfs/dbraw/zinc/84/66/85/822846685.db2.gz FOXHXRNYHVQHHX-INIZCTEOSA-N 0 0 387.435 4.468 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000457031639 822847189 /nfs/dbraw/zinc/84/71/89/822847189.db2.gz IXQCZNSIDAZJGO-MRXNPFEDSA-N 0 0 383.448 4.227 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)COc2cccc([N+](=O)[O-])c2C)cc1 ZINC000053837834 822849809 /nfs/dbraw/zinc/84/98/09/822849809.db2.gz VKQYLXUXVIMTFM-IBGZPJMESA-N 0 0 384.432 4.044 20 5 GIBDRN COc1cc(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1F ZINC000457074010 822850261 /nfs/dbraw/zinc/85/02/61/822850261.db2.gz KEVODGHUABZXCZ-JSGCOSHPSA-N 0 0 392.814 4.462 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887496 822851792 /nfs/dbraw/zinc/85/17/92/822851792.db2.gz WNXMWDLCLHAOCR-QGZVFWFLSA-N 0 0 394.374 4.332 20 5 GIBDRN CSc1cccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000186132997 822854313 /nfs/dbraw/zinc/85/43/13/822854313.db2.gz STQZFGOQZIWSJX-UHFFFAOYSA-N 0 0 399.472 4.113 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CC(C)(CC(F)(F)F)C3)cc2[N+](=O)[O-])CC1 ZINC000457143196 822856872 /nfs/dbraw/zinc/85/68/72/822856872.db2.gz MHWDBEMNZILNGH-UHFFFAOYSA-N 0 0 399.413 4.246 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000186182499 822858788 /nfs/dbraw/zinc/85/87/88/822858788.db2.gz RZSHPHRNVWRSIE-QGZVFWFLSA-N 0 0 392.864 4.184 20 5 GIBDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054031352 822859665 /nfs/dbraw/zinc/85/96/65/822859665.db2.gz DXMOAQXQVNZESY-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000457272241 822862796 /nfs/dbraw/zinc/86/27/96/822862796.db2.gz SLWFGPMDTWVEGW-LJQANCHMSA-N 0 0 390.461 4.003 20 5 GIBDRN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054151699 822864420 /nfs/dbraw/zinc/86/44/20/822864420.db2.gz XOQGBLVEAGYZMU-UHFFFAOYSA-N 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ZINC000054314809 822875479 /nfs/dbraw/zinc/87/54/79/822875479.db2.gz CFLZWAJINSLQMX-ZDUSSCGKSA-N 0 0 397.456 4.283 20 5 GIBDRN O=C(Cc1csc(-c2cccs2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186326935 822876643 /nfs/dbraw/zinc/87/66/43/822876643.db2.gz NSXHQZRAMIADLA-UHFFFAOYSA-N 0 0 393.877 4.292 20 5 GIBDRN COCCn1cc2c(n1)[C@H](Nc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])CCC2 ZINC000569083397 822878205 /nfs/dbraw/zinc/87/82/05/822878205.db2.gz ZLNDELQGYCQOFJ-CQSZACIVSA-N 0 0 398.385 4.254 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000569089337 822879117 /nfs/dbraw/zinc/87/91/17/822879117.db2.gz AWWJEBZATDOWAK-UHFFFAOYSA-N 0 0 398.492 4.022 20 5 GIBDRN CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000186349660 822879953 /nfs/dbraw/zinc/87/99/53/822879953.db2.gz PRMBJOWHAFROIR-LBPRGKRZSA-N 0 0 394.518 4.480 20 5 GIBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Br)s1 ZINC000175099316 822881799 /nfs/dbraw/zinc/88/17/99/822881799.db2.gz 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CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000569373581 822912641 /nfs/dbraw/zinc/91/26/41/822912641.db2.gz MDUZKMQPTHYCSZ-FQEVSTJZSA-N 0 0 376.416 4.463 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCSc2ccccc21 ZINC000569382348 822913683 /nfs/dbraw/zinc/91/36/83/822913683.db2.gz KWRIZUOPYMHEEX-SFHVURJKSA-N 0 0 396.472 4.155 20 5 GIBDRN Cc1cnc(-c2cccc(N[C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)c2)o1 ZINC000569391110 822915317 /nfs/dbraw/zinc/91/53/17/822915317.db2.gz JDEIRJFBQQIMND-IBGZPJMESA-N 0 0 389.415 4.493 20 5 GIBDRN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccnc1 ZINC000175259291 822917197 /nfs/dbraw/zinc/91/71/97/822917197.db2.gz YIRJMCLWTRJDRE-FQEVSTJZSA-N 0 0 396.491 4.150 20 5 GIBDRN CC(=O)N(c1nc(COc2ccc([N+](=O)[O-])cc2)cs1)c1ccc(F)cc1 ZINC000054912376 822921188 /nfs/dbraw/zinc/92/11/88/822921188.db2.gz UFIWNBUICZSLNY-UHFFFAOYSA-N 0 0 387.392 4.454 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000175272292 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CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175420141 822964293 /nfs/dbraw/zinc/96/42/93/822964293.db2.gz WYNLMWZYKMITAJ-QZXCRCNTSA-N 0 0 390.505 4.312 20 5 GIBDRN Cc1c(Br)cccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000569757428 822964399 /nfs/dbraw/zinc/96/43/99/822964399.db2.gz XQQBQPQPJHPZOU-UHFFFAOYSA-N 0 0 377.238 4.331 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@@H]1C[C@H]1C ZINC000569760615 822964894 /nfs/dbraw/zinc/96/48/94/822964894.db2.gz QELNWAOBFQYLGI-MPBGBICISA-N 0 0 392.415 4.090 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@@H]1C[C@@H]1C ZINC000569760614 822964924 /nfs/dbraw/zinc/96/49/24/822964924.db2.gz QELNWAOBFQYLGI-FKIZINRSSA-N 0 0 392.415 4.090 20 5 GIBDRN C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000055465496 822966884 /nfs/dbraw/zinc/96/68/84/822966884.db2.gz JERQMSJWPSRAQU-GFCCVEGCSA-N 0 0 385.420 4.277 20 5 GIBDRN C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055466762 822966982 /nfs/dbraw/zinc/96/69/82/822966982.db2.gz CVXXYDMGWMVFRU-HNNXBMFYSA-N 0 0 389.411 4.338 20 5 GIBDRN Cc1noc(CSc2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000055466524 822967071 /nfs/dbraw/zinc/96/70/71/822967071.db2.gz RXMCAQZAGNHZLH-LBPRGKRZSA-N 0 0 398.444 4.070 20 5 GIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466233 822967106 /nfs/dbraw/zinc/96/71/06/822967106.db2.gz RCDWEFSPJNKEBE-LBPRGKRZSA-N 0 0 399.428 4.301 20 5 GIBDRN Cc1c(CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cccc1[N+](=O)[O-] ZINC000569780426 822968010 /nfs/dbraw/zinc/96/80/10/822968010.db2.gz VNYDRWDMTOCOOF-UHFFFAOYSA-N 0 0 399.838 4.123 20 5 GIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000055487784 822969601 /nfs/dbraw/zinc/96/96/01/822969601.db2.gz JBNGWVCRSWXJIR-IBGZPJMESA-N 0 0 390.443 4.018 20 5 GIBDRN COc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1Cl ZINC000458222968 822970683 /nfs/dbraw/zinc/97/06/83/822970683.db2.gz OQFPTHXDZYWCIU-UHFFFAOYSA-N 0 0 378.812 4.182 20 5 GIBDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000458245294 822973266 /nfs/dbraw/zinc/97/32/66/822973266.db2.gz MDCKPZGGWVQQST-NSHDSACASA-N 0 0 384.329 4.456 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000175462953 822975055 /nfs/dbraw/zinc/97/50/55/822975055.db2.gz APVFYGBROAWSCU-MRXNPFEDSA-N 0 0 389.496 4.345 20 5 GIBDRN O=c1c(Br)cn(Cc2ccc(C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000569846360 822975254 /nfs/dbraw/zinc/97/52/54/822975254.db2.gz VRIXVARWFSGWLF-UHFFFAOYSA-N 0 0 377.238 4.225 20 5 GIBDRN CCOc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000175466182 822975926 /nfs/dbraw/zinc/97/59/26/822975926.db2.gz OPOKRLWVJYTLIL-CZUORRHYSA-N 0 0 388.420 4.209 20 5 GIBDRN CCOC[C@@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000175480003 822978921 /nfs/dbraw/zinc/97/89/21/822978921.db2.gz HEPFODRBTMFICQ-OAHLLOKOSA-N 0 0 380.510 4.232 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1Cc2ccc(Cl)cc2C1 ZINC000458289702 822979062 /nfs/dbraw/zinc/97/90/62/822979062.db2.gz VYZHBCVFCNKSAN-UHFFFAOYSA-N 0 0 385.851 4.007 20 5 GIBDRN COCCCC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000569885522 822980351 /nfs/dbraw/zinc/98/03/51/822980351.db2.gz MEXHEKOYYWIIKJ-LJQANCHMSA-N 0 0 392.402 4.090 20 5 GIBDRN Cc1nc(NC(=O)c2csc([N+](=O)[O-])c2)sc1Cc1ccc(F)cc1 ZINC000055584700 822982287 /nfs/dbraw/zinc/98/22/87/822982287.db2.gz NLJCOSLLGCEVTA-UHFFFAOYSA-N 0 0 377.422 4.403 20 5 GIBDRN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000055592031 822983327 /nfs/dbraw/zinc/98/33/27/822983327.db2.gz DJUSKDGMDLTVQF-UHFFFAOYSA-N 0 0 387.823 4.173 20 5 GIBDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055593314 822984271 /nfs/dbraw/zinc/98/42/71/822984271.db2.gz MWDFMDOEQYIBAS-GJZGRUSLSA-N 0 0 395.459 4.274 20 5 GIBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055593746 822984426 /nfs/dbraw/zinc/98/44/26/822984426.db2.gz VABTWHWUKQCKRA-GASCZTMLSA-N 0 0 395.459 4.274 20 5 GIBDRN CC(C)(C)c1csc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000175508057 822986074 /nfs/dbraw/zinc/98/60/74/822986074.db2.gz CUECVFLQISLJRU-UHFFFAOYSA-N 0 0 376.482 4.083 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000055604832 822986358 /nfs/dbraw/zinc/98/63/58/822986358.db2.gz PLSXQSBFBNUGQN-GFCCVEGCSA-N 0 0 383.360 4.473 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)F)c1[N+](=O)[O-] ZINC000186960502 822987454 /nfs/dbraw/zinc/98/74/54/822987454.db2.gz PVOJMZZWQRPOPI-UHFFFAOYSA-N 0 0 386.351 4.352 20 5 GIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175521356 822989936 /nfs/dbraw/zinc/98/99/36/822989936.db2.gz LWHWYLMJWSBNBN-UHFFFAOYSA-N 0 0 382.825 4.301 20 5 GIBDRN O=C(c1cnc(Cc2ccccc2F)s1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000186976111 822990718 /nfs/dbraw/zinc/99/07/18/822990718.db2.gz ISICMVSYHNBYAS-UHFFFAOYSA-N 0 0 397.431 4.374 20 5 GIBDRN Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000569969140 822991306 /nfs/dbraw/zinc/99/13/06/822991306.db2.gz SKQASVBRFLZKCJ-IBGZPJMESA-N 0 0 393.447 4.391 20 5 GIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000186994870 822994001 /nfs/dbraw/zinc/99/40/01/822994001.db2.gz AKRSVSQWEOMBSC-UHFFFAOYSA-N 0 0 399.834 4.190 20 5 GIBDRN Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC000055653760 822994099 /nfs/dbraw/zinc/99/40/99/822994099.db2.gz CKBMIYCRTVWUHJ-HNNXBMFYSA-N 0 0 395.415 4.195 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCc2cc(F)ccc21 ZINC000055656751 822994854 /nfs/dbraw/zinc/99/48/54/822994854.db2.gz CKEJZEJIVYKVNE-HXUWFJFHSA-N 0 0 386.426 4.098 20 5 GIBDRN O=C(N[C@H]1CCc2cc(F)ccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000055657471 822995030 /nfs/dbraw/zinc/99/50/30/822995030.db2.gz TUTCTVMBBVKRFR-HNNXBMFYSA-N 0 0 398.312 4.092 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000055672335 822996631 /nfs/dbraw/zinc/99/66/31/822996631.db2.gz DBSDMFFPKBBTMB-SNVBAGLBSA-N 0 0 398.337 4.122 20 5 GIBDRN COc1ccccc1CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000055674989 822996878 /nfs/dbraw/zinc/99/68/78/822996878.db2.gz IVOSUFBADLZHCN-UHFFFAOYSA-N 0 0 395.459 4.008 20 5 GIBDRN Cc1sc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000187046508 823003289 /nfs/dbraw/zinc/00/32/89/823003289.db2.gz OOBVRJZZDSFLKM-BONVTDFDSA-N 0 0 380.853 4.220 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000175627559 823009376 /nfs/dbraw/zinc/00/93/76/823009376.db2.gz DRAXQFAWJUCHFH-QWHCGFSZSA-N 0 0 375.400 4.172 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187108696 823011493 /nfs/dbraw/zinc/01/14/93/823011493.db2.gz DQXUJUUMUNIUAU-MRXNPFEDSA-N 0 0 397.765 4.132 20 5 GIBDRN CCc1ccc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000187186890 823022497 /nfs/dbraw/zinc/02/24/97/823022497.db2.gz CUVOHDVOLVAQBF-UHFFFAOYSA-N 0 0 382.395 4.102 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000187199043 823023937 /nfs/dbraw/zinc/02/39/37/823023937.db2.gz HJPQCWBULJSBBU-UHFFFAOYSA-N 0 0 397.460 4.269 20 5 GIBDRN Cc1cc(C)n(Cc2cccc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)c2)n1 ZINC000570326193 823026155 /nfs/dbraw/zinc/02/61/55/823026155.db2.gz OHKFZWPOYRECDC-UHFFFAOYSA-N 0 0 389.415 4.097 20 5 GIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000187236414 823028757 /nfs/dbraw/zinc/02/87/57/823028757.db2.gz CWSNJJYOWZFISG-UHFFFAOYSA-N 0 0 393.428 4.372 20 5 GIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000175738268 823029774 /nfs/dbraw/zinc/02/97/74/823029774.db2.gz FHPYGKVFYBTGRU-STQMWFEESA-N 0 0 392.481 4.051 20 5 GIBDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175754113 823032177 /nfs/dbraw/zinc/03/21/77/823032177.db2.gz JRPMWNBAYBKHOB-YLJYHZDGSA-N 0 0 393.487 4.216 20 5 GIBDRN CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175772305 823036878 /nfs/dbraw/zinc/03/68/78/823036878.db2.gz QZHDQOILNBFQCN-SECBINFHSA-N 0 0 397.191 4.406 20 5 GIBDRN CC(C)N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnc2ccccc2c1 ZINC000570431097 823037354 /nfs/dbraw/zinc/03/73/54/823037354.db2.gz UNDUMKXNRZXEMF-UHFFFAOYSA-N 0 0 385.370 4.405 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000055753915 823037709 /nfs/dbraw/zinc/03/77/09/823037709.db2.gz OSELJXMRAFTJQM-AWEZNQCLSA-N 0 0 381.432 4.170 20 5 GIBDRN O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000570457391 823040426 /nfs/dbraw/zinc/04/04/26/823040426.db2.gz GCBIWTQRSSVKOI-MRXNPFEDSA-N 0 0 380.322 4.375 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccc(OC(C)C)cc2C)c([N+](=O)[O-])cc1OC ZINC000055769514 823041166 /nfs/dbraw/zinc/04/11/66/823041166.db2.gz TXAGUILZEWEANF-UHFFFAOYSA-N 0 0 388.420 4.350 20 5 GIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3csc([N+](=O)[O-])c3)ccn2)cc1 ZINC000055771138 823041798 /nfs/dbraw/zinc/04/17/98/823041798.db2.gz UTQXUPNAEDFSSL-UHFFFAOYSA-N 0 0 399.428 4.172 20 5 GIBDRN Cc1ccccc1[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055780001 823043543 /nfs/dbraw/zinc/04/35/43/823043543.db2.gz CJESKLCBBYMGGX-HXUWFJFHSA-N 0 0 393.487 4.483 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000177907335 823544715 /nfs/dbraw/zinc/54/47/15/823544715.db2.gz LHQYSYMVCNPUNF-IBGZPJMESA-N 0 0 396.834 4.232 20 5 GIBDRN CC(=O)Nc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000177912472 823545612 /nfs/dbraw/zinc/54/56/12/823545612.db2.gz LKXPFCMANLCZIG-SNVBAGLBSA-N 0 0 395.337 4.063 20 5 GIBDRN CC(C)CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1)C1CC1 ZINC000460935200 823545803 /nfs/dbraw/zinc/54/58/03/823545803.db2.gz RNZBJAGBIDWRQN-IBGZPJMESA-N 0 0 399.495 4.047 20 5 GIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 ZINC000060659285 823551006 /nfs/dbraw/zinc/55/10/06/823551006.db2.gz QZKGBJGPXVSAEE-UHFFFAOYSA-N 0 0 397.412 4.170 20 5 GIBDRN COc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000123912698 823551159 /nfs/dbraw/zinc/55/11/59/823551159.db2.gz WEOGDIBNHNACFU-UHFFFAOYSA-N 0 0 389.839 4.131 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000411177695 823554732 /nfs/dbraw/zinc/55/47/32/823554732.db2.gz KAKAOGJAHZUQNO-OAHLLOKOSA-N 0 0 389.477 4.115 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000460978668 823554812 /nfs/dbraw/zinc/55/48/12/823554812.db2.gz JAWSMDUSXWBEFL-XOBRGWDASA-N 0 0 394.475 4.424 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000411221640 823558289 /nfs/dbraw/zinc/55/82/89/823558289.db2.gz HNJHWONSWZLUMH-IBGZPJMESA-N 0 0 383.448 4.006 20 5 GIBDRN O=c1c2cc(-c3ccccc3)sc2ncn1CCOc1cccc([N+](=O)[O-])c1 ZINC000060815281 823559350 /nfs/dbraw/zinc/55/93/50/823559350.db2.gz HMTXJHDCWBGPEM-UHFFFAOYSA-N 0 0 393.424 4.112 20 5 GIBDRN Cc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1[N+](=O)[O-] ZINC000124007018 823559422 /nfs/dbraw/zinc/55/94/22/823559422.db2.gz MIHGYZAWWVQMRU-UHFFFAOYSA-N 0 0 390.193 4.295 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000411246964 823560400 /nfs/dbraw/zinc/56/04/00/823560400.db2.gz ZHQQDQCFPQCJSO-ZCNNSNEGSA-N 0 0 396.443 4.079 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000190304862 823561117 /nfs/dbraw/zinc/56/11/17/823561117.db2.gz QJOMYUHONGOOBR-QSFXBCCZSA-N 0 0 383.448 4.041 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000124026892 823561176 /nfs/dbraw/zinc/56/11/76/823561176.db2.gz GUWKAUXQQPHXIR-UHFFFAOYSA-N 0 0 379.294 4.326 20 5 GIBDRN CCc1nc(-c2ccccc2NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000190311801 823561735 /nfs/dbraw/zinc/56/17/35/823561735.db2.gz 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GIBDRN Cc1nnc(-c2ccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)o1 ZINC000126002794 823764217 /nfs/dbraw/zinc/76/42/17/823764217.db2.gz RVKVXOMJDWZKJJ-UHFFFAOYSA-N 0 0 393.403 4.150 20 5 GIBDRN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2o1 ZINC000126006970 823765227 /nfs/dbraw/zinc/76/52/27/823765227.db2.gz WEIZLVRIHCVRII-UHFFFAOYSA-N 0 0 380.404 4.287 20 5 GIBDRN Cc1cc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000461955619 823770741 /nfs/dbraw/zinc/77/07/41/823770741.db2.gz GIEYFUWXHRBUGQ-XJKSGUPXSA-N 0 0 384.329 4.373 20 5 GIBDRN Cc1c(Br)cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000164042520 823773060 /nfs/dbraw/zinc/77/30/60/823773060.db2.gz XBKKVHNHKMNLIC-SNVBAGLBSA-N 0 0 393.241 4.086 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000574588098 823773407 /nfs/dbraw/zinc/77/34/07/823773407.db2.gz GVSUAHZWWLJBSY-LBPRGKRZSA-N 0 0 388.395 4.431 20 5 GIBDRN COCCn1cc2c(n1)[C@H](Nc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC000461964219 823774117 /nfs/dbraw/zinc/77/41/17/823774117.db2.gz IXQFKBLSHJOCKS-CQSZACIVSA-N 0 0 398.385 4.254 20 5 GIBDRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCc1cccc([N+](=O)[O-])c1 ZINC000126053068 823775878 /nfs/dbraw/zinc/77/58/78/823775878.db2.gz SZDPDVIYCNSZLZ-UHFFFAOYSA-N 0 0 399.834 4.195 20 5 GIBDRN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461968874 823776106 /nfs/dbraw/zinc/77/61/06/823776106.db2.gz UBJVWKQAVKJZEE-DCGLDWPTSA-N 0 0 388.386 4.085 20 5 GIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000191818757 823781171 /nfs/dbraw/zinc/78/11/71/823781171.db2.gz ZJGDMWQEPLKSEA-LBPRGKRZSA-N 0 0 378.812 4.223 20 5 GIBDRN C[C@H](C(=O)Nc1cc2c(cc1Cl)CCC2=O)c1ccc([N+](=O)[O-])cc1F ZINC000191831199 823789334 /nfs/dbraw/zinc/78/93/34/823789334.db2.gz CSCKMBYSKURARR-VIFPVBQESA-N 0 0 376.771 4.258 20 5 GIBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000064332304 823794973 /nfs/dbraw/zinc/79/49/73/823794973.db2.gz IFNJBHSUAUCWTL-UHFFFAOYSA-N 0 0 386.795 4.184 20 5 GIBDRN Cc1nc([N+](=O)[O-])c(Br)n1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000064332889 823795020 /nfs/dbraw/zinc/79/50/20/823795020.db2.gz SPLNZKDNLCHFPK-UHFFFAOYSA-N 0 0 397.616 4.219 20 5 GIBDRN CC(C)N(CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350746 823799010 /nfs/dbraw/zinc/79/90/10/823799010.db2.gz UAFSVQTXQAHPER-UHFFFAOYSA-N 0 0 381.476 4.001 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)c1 ZINC000164371407 823799053 /nfs/dbraw/zinc/79/90/53/823799053.db2.gz JFKBOHLICTXDCI-HKUYNNGSSA-N 0 0 386.473 4.184 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000574720805 823808937 /nfs/dbraw/zinc/80/89/37/823808937.db2.gz AQEATERXDKUCHX-HIFRSBDPSA-N 0 0 383.370 4.104 20 5 GIBDRN Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000064419242 823814977 /nfs/dbraw/zinc/81/49/77/823814977.db2.gz NEBVBUYYVZZBQQ-VIFPVBQESA-N 0 0 375.768 4.104 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000064421536 823815853 /nfs/dbraw/zinc/81/58/53/823815853.db2.gz ZCYJNRASVUADFB-LLVKDONJSA-N 0 0 386.795 4.044 20 5 GIBDRN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000574755815 823819089 /nfs/dbraw/zinc/81/90/89/823819089.db2.gz NSVOPBRCBCHDPS-QGZVFWFLSA-N 0 0 383.448 4.007 20 5 GIBDRN Cc1c(CC(=O)N(CCC(F)(F)F)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000191944536 823819440 /nfs/dbraw/zinc/81/94/40/823819440.db2.gz MGJLCYRPJPDIGE-UHFFFAOYSA-N 0 0 380.366 4.427 20 5 GIBDRN Cc1cc(F)cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000164846735 823822539 /nfs/dbraw/zinc/82/25/39/823822539.db2.gz FGCJGWMPRWVHND-ZDUSSCGKSA-N 0 0 384.411 4.464 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCSc2c(F)cccc21 ZINC000126340446 823843676 /nfs/dbraw/zinc/84/36/76/823843676.db2.gz ZTCVTGHBTFWLFV-KRWDZBQOSA-N 0 0 385.420 4.111 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(C)s2)cc1SC ZINC000126381876 823852936 /nfs/dbraw/zinc/85/29/36/823852936.db2.gz HNTBDGCOSJUFBI-SNVBAGLBSA-N 0 0 380.491 4.056 20 5 GIBDRN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000192105037 823861503 /nfs/dbraw/zinc/86/15/03/823861503.db2.gz RQHHRYYFPSEAOK-UHFFFAOYSA-N 0 0 382.807 4.175 20 5 GIBDRN Cc1c2cc(F)ccc2sc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064720542 823871074 /nfs/dbraw/zinc/87/10/74/823871074.db2.gz XVSSKYWWIWKSGD-UHFFFAOYSA-N 0 0 399.447 4.219 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000064722674 823871696 /nfs/dbraw/zinc/87/16/96/823871696.db2.gz GKLFLUGUHWSYOG-LBPRGKRZSA-N 0 0 392.814 4.346 20 5 GIBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1-c1c[nH]c2ncccc12 ZINC000126492608 823883164 /nfs/dbraw/zinc/88/31/64/823883164.db2.gz OSLBOKWJNXTJSO-UHFFFAOYSA-N 0 0 393.428 4.464 20 5 GIBDRN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064778519 823884585 /nfs/dbraw/zinc/88/45/85/823884585.db2.gz ZVQWRJJSDIBWSJ-QGZVFWFLSA-N 0 0 390.439 4.388 20 5 GIBDRN CC[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000413997238 823886136 /nfs/dbraw/zinc/88/61/36/823886136.db2.gz BRXNUMFECCYEIR-SNVBAGLBSA-N 0 0 382.766 4.112 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCCSCc1cccc2ccccc21 ZINC000064821387 823891453 /nfs/dbraw/zinc/89/14/53/823891453.db2.gz UZRTUJYXUGQCLC-UHFFFAOYSA-N 0 0 396.468 4.176 20 5 GIBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1ccc(OC)cc1 ZINC000575024780 823891635 /nfs/dbraw/zinc/89/16/35/823891635.db2.gz SYNZAVUBOATAML-INIZCTEOSA-N 0 0 389.427 4.142 20 5 GIBDRN O=C(Nc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126540572 823893785 /nfs/dbraw/zinc/89/37/85/823893785.db2.gz QXRGBDXVKRLUSZ-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN COc1ccc(Cl)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000064829420 823895180 /nfs/dbraw/zinc/89/51/80/823895180.db2.gz MTBDOARXDJYCTP-UHFFFAOYSA-N 0 0 396.852 4.137 20 5 GIBDRN CC(C)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192186732 823896510 /nfs/dbraw/zinc/89/65/10/823896510.db2.gz PZIUEGRJCOXIAQ-UHFFFAOYSA-N 0 0 399.285 4.025 20 5 GIBDRN C[C@@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccn2)C1 ZINC000462247663 823896729 /nfs/dbraw/zinc/89/67/29/823896729.db2.gz PHTMBGYJSHPTQP-MRXNPFEDSA-N 0 0 394.475 4.031 20 5 GIBDRN O=C(NCCc1ccc(Cl)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064865635 823903889 /nfs/dbraw/zinc/90/38/89/823903889.db2.gz CEIMPJHCMZNDQR-UHFFFAOYSA-N 0 0 387.848 4.344 20 5 GIBDRN O=C(CSCc1ccc(Br)cc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000064896933 823907600 /nfs/dbraw/zinc/90/76/00/823907600.db2.gz OQYVUPXXOVRVOV-UHFFFAOYSA-N 0 0 399.241 4.368 20 5 GIBDRN CCOC(=O)c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000064897605 823907897 /nfs/dbraw/zinc/90/78/97/823907897.db2.gz VCKSHJXWENIPFL-UHFFFAOYSA-N 0 0 397.412 4.147 20 5 GIBDRN COc1ccc(C)cc1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064897684 823908000 /nfs/dbraw/zinc/90/80/00/823908000.db2.gz UWFSMIIVXFKGGC-UHFFFAOYSA-N 0 0 397.456 4.008 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2ncnc3c2cnn3Cc2ccccc2)cs1 ZINC000126605729 823909403 /nfs/dbraw/zinc/90/94/03/823909403.db2.gz XFBKKVZRINJNRC-UHFFFAOYSA-N 0 0 383.458 4.137 20 5 GIBDRN CCc1cc(N(C)Cc2nc3ccccc3[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905724 823909447 /nfs/dbraw/zinc/90/94/47/823909447.db2.gz CKBWUPIGYUELPY-UHFFFAOYSA-N 0 0 388.431 4.127 20 5 GIBDRN CC(C)C(=O)Nc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000126607100 823909791 /nfs/dbraw/zinc/90/97/91/823909791.db2.gz LGKPADKYVLRIHC-UHFFFAOYSA-N 0 0 376.800 4.487 20 5 GIBDRN O=[N+]([O-])c1ccc(CCNc2nn3cc(-c4ccc(F)cc4)nc3s2)cc1 ZINC000064915495 823911152 /nfs/dbraw/zinc/91/11/52/823911152.db2.gz PYHPQJMDAWJTQZ-UHFFFAOYSA-N 0 0 383.408 4.160 20 5 GIBDRN NC(=O)c1ccc(NCCSCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000064931174 823913567 /nfs/dbraw/zinc/91/35/67/823913567.db2.gz OBRSYZZHUHFKOT-UHFFFAOYSA-N 0 0 381.457 4.192 20 5 GIBDRN Cc1cccc(OC[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000064934637 823914333 /nfs/dbraw/zinc/91/43/33/823914333.db2.gz OYZLMXASNRAOCR-AWEZNQCLSA-N 0 0 397.456 4.224 20 5 GIBDRN Cn1c2ccccc2cc(CNC(=O)c2cc3ccccc3c3cccnc23)c1=O ZINC000575147879 823923578 /nfs/dbraw/zinc/92/35/78/823923578.db2.gz OSOONLXCWRJKFR-UHFFFAOYSA-N 0 0 393.446 4.170 20 5 GIBDRN Cc1cc(S(=O)(=O)N(Cc2ccoc2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000462320748 823923948 /nfs/dbraw/zinc/92/39/48/823923948.db2.gz KPRGZHKQTXBQCK-UHFFFAOYSA-N 0 0 378.450 4.020 20 5 GIBDRN Cc1ccc(S(=O)(=O)N(Cc2ccoc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462325675 823925279 /nfs/dbraw/zinc/92/52/79/823925279.db2.gz HQXJUHZJGNTJAW-UHFFFAOYSA-N 0 0 378.450 4.020 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Br ZINC000192272919 823926710 /nfs/dbraw/zinc/92/67/10/823926710.db2.gz QMECFZNXEKXFMQ-UHFFFAOYSA-N 0 0 385.601 4.028 20 5 GIBDRN COc1c(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)cc1C(=O)N(C)C ZINC000575190153 823934465 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C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462394761 823958490 /nfs/dbraw/zinc/95/84/90/823958490.db2.gz OHQZUEQYKYHKRB-IOASZLSFSA-N 0 0 394.880 4.203 20 5 GIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462394762 823958567 /nfs/dbraw/zinc/95/85/67/823958567.db2.gz OHQZUEQYKYHKRB-WWGRRREGSA-N 0 0 394.880 4.203 20 5 GIBDRN COc1cc(F)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000126827622 823960830 /nfs/dbraw/zinc/96/08/30/823960830.db2.gz TURJGZWJPQLBKW-UHFFFAOYSA-N 0 0 377.347 4.078 20 5 GIBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462404940 823961856 /nfs/dbraw/zinc/96/18/56/823961856.db2.gz ZRWFRVPIZCTLDS-VNHYZAJKSA-N 0 0 394.880 4.203 20 5 GIBDRN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000462411840 823964808 /nfs/dbraw/zinc/96/48/08/823964808.db2.gz FGKFEFGPVBCEBX-DZGCQCFKSA-N 0 0 394.880 4.063 20 5 GIBDRN 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C[C@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056147827 823088448 /nfs/dbraw/zinc/08/84/48/823088448.db2.gz BJGROVUDAABFSR-CYBMUJFWSA-N 0 0 391.265 4.037 20 5 GIBDRN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000120949570 823091495 /nfs/dbraw/zinc/09/14/95/823091495.db2.gz PPBUHUZAHFUJOR-UHFFFAOYSA-N 0 0 394.214 4.046 20 5 GIBDRN Cc1ccc(Br)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 ZINC000120964627 823094306 /nfs/dbraw/zinc/09/43/06/823094306.db2.gz HIFQPOLFLDELGO-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN COc1cc(COc2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000570859134 823096988 /nfs/dbraw/zinc/09/69/88/823096988.db2.gz YFJDSTRUNQIJCP-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN O=C(Nc1ccc(F)cc1)[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178657 823097070 /nfs/dbraw/zinc/09/70/70/823097070.db2.gz MUTLNFKCRHBHIH-HXUWFJFHSA-N 0 0 379.391 4.204 20 5 GIBDRN O=C(Nc1c(F)cc(F)cc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176019403 823097394 /nfs/dbraw/zinc/09/73/94/823097394.db2.gz JAEZYLOIFYQLEA-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056187749 823099217 /nfs/dbraw/zinc/09/92/17/823099217.db2.gz VSRLYIKCRQDFGL-OAHLLOKOSA-N 0 0 392.415 4.008 20 5 GIBDRN CCc1ccc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000570878508 823100846 /nfs/dbraw/zinc/10/08/46/823100846.db2.gz XIEQXCCRXLBGCH-ORAYPTAESA-N 0 0 381.432 4.171 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000570889970 823103158 /nfs/dbraw/zinc/10/31/58/823103158.db2.gz AKDUHQJCYJQSPB-NRFANRHFSA-N 0 0 399.491 4.330 20 5 GIBDRN C[C@H](NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000458891202 823102641 /nfs/dbraw/zinc/10/26/41/823102641.db2.gz QYSUHNCMMONPDC-GUYCJALGSA-N 0 0 399.451 4.243 20 5 GIBDRN CN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000121022851 823104515 /nfs/dbraw/zinc/10/45/15/823104515.db2.gz SGATXZQLXPTUEG-UHFFFAOYSA-N 0 0 381.413 4.185 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000121045877 823108201 /nfs/dbraw/zinc/10/82/01/823108201.db2.gz RQMYGTIPDDZWDP-UHFFFAOYSA-N 0 0 377.404 4.004 20 5 GIBDRN C[C@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176060268 823109431 /nfs/dbraw/zinc/10/94/31/823109431.db2.gz FOWSFANINVMENB-LBPRGKRZSA-N 0 0 392.864 4.042 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCc2cc(OC(F)F)ccc21 ZINC000056237753 823109589 /nfs/dbraw/zinc/10/95/89/823109589.db2.gz XNFHRHPHROSUQB-UHFFFAOYSA-N 0 0 382.750 4.443 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](SCCC(C)(C)O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000570940067 823110149 /nfs/dbraw/zinc/11/01/49/823110149.db2.gz CAKVOLYZDWPSBH-GOSISDBHSA-N 0 0 388.489 4.477 20 5 GIBDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121068112 823112198 /nfs/dbraw/zinc/11/21/98/823112198.db2.gz IBIRXVWOGLKKET-AWEZNQCLSA-N 0 0 393.447 4.212 20 5 GIBDRN 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376.482 4.218 20 5 GIBDRN CC(C)[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000056374065 823139216 /nfs/dbraw/zinc/13/92/16/823139216.db2.gz PJFSVSKFOVBFFK-JLTOFOAXSA-N 0 0 399.447 4.124 20 5 GIBDRN C[C@@H](C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571173887 823144152 /nfs/dbraw/zinc/14/41/52/823144152.db2.gz LVLNNHWWUHXZIY-GFCCVEGCSA-N 0 0 378.350 4.343 20 5 GIBDRN CC(C)c1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000121236419 823144653 /nfs/dbraw/zinc/14/46/53/823144653.db2.gz CEWNVSJBMHDLNM-UHFFFAOYSA-N 0 0 381.476 4.066 20 5 GIBDRN COc1ccc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1Br ZINC000121253130 823148446 /nfs/dbraw/zinc/14/84/46/823148446.db2.gz FABLNFWOOHUQAS-UHFFFAOYSA-N 0 0 380.194 4.148 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000121257135 823149271 /nfs/dbraw/zinc/14/92/71/823149271.db2.gz BHNYJTOSJHQENN-WMZOPIPTSA-N 0 0 398.459 4.143 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176193349 823149663 /nfs/dbraw/zinc/14/96/63/823149663.db2.gz APGWFUOCOTZLMU-UHFFFAOYSA-N 0 0 398.806 4.357 20 5 GIBDRN CCCCNC(=O)c1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000176221345 823155851 /nfs/dbraw/zinc/15/58/51/823155851.db2.gz ZNGZUPFCHPDPHU-UHFFFAOYSA-N 0 0 398.463 4.063 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1sccc1Br ZINC000176222892 823156770 /nfs/dbraw/zinc/15/67/70/823156770.db2.gz WDDHVBBEXHMSOA-UHFFFAOYSA-N 0 0 384.255 4.357 20 5 GIBDRN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F ZINC000176242068 823161107 /nfs/dbraw/zinc/16/11/07/823161107.db2.gz IJGBWYRDUGEVLP-LLVKDONJSA-N 0 0 382.388 4.457 20 5 GIBDRN O=C(NCCc1c[nH]c2cc(F)ccc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121302706 823158901 /nfs/dbraw/zinc/15/89/01/823158901.db2.gz YHWCOPFOGZDSCL-UHFFFAOYSA-N 0 0 396.422 4.132 20 5 GIBDRN O=C(Oc1cccc([N+](=O)[O-])c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000121318464 823162511 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4.046 20 5 GIBDRN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000121416718 823180699 /nfs/dbraw/zinc/18/06/99/823180699.db2.gz XNCSMVVUSVGWFK-UHFFFAOYSA-N 0 0 393.346 4.317 20 5 GIBDRN C[C@H]1CSc2ccccc2N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000571441617 823182902 /nfs/dbraw/zinc/18/29/02/823182902.db2.gz XWSYULOXGRTUQB-LLVKDONJSA-N 0 0 378.400 4.191 20 5 GIBDRN CCc1n[nH]c(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)c1[N+](=O)[O-] ZINC000188116511 823188846 /nfs/dbraw/zinc/18/88/46/823188846.db2.gz MKDGHZDRFMWYRR-SFHVURJKSA-N 0 0 390.399 4.146 20 5 GIBDRN COC(=O)c1cc(NC(=O)c2cc3sccc3s2)c(C)c([N+](=O)[O-])c1 ZINC000571470931 823187803 /nfs/dbraw/zinc/18/78/03/823187803.db2.gz KPIKPDRJQSKUPR-UHFFFAOYSA-N 0 0 376.415 4.218 20 5 GIBDRN COc1ccccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000121458321 823188428 /nfs/dbraw/zinc/18/84/28/823188428.db2.gz WUHPVYCOTKFCPZ-UHFFFAOYSA-N 0 0 376.166 4.083 20 5 GIBDRN CC(C)c1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000188133188 823191469 /nfs/dbraw/zinc/19/14/69/823191469.db2.gz BMSWYFQGVVQDJQ-UHFFFAOYSA-N 0 0 376.416 4.105 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)ccc(F)c2C1 ZINC000121496607 823194771 /nfs/dbraw/zinc/19/47/71/823194771.db2.gz GLECZBUTVGMSNP-UHFFFAOYSA-N 0 0 394.200 4.087 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176397520 823199181 /nfs/dbraw/zinc/19/91/81/823199181.db2.gz WJWXLRCHYCWXLQ-LLVKDONJSA-N 0 0 386.795 4.098 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H](c2ccccc2)C1 ZINC000121521344 823199359 /nfs/dbraw/zinc/19/93/59/823199359.db2.gz KUICZIWZJRWODL-SFHVURJKSA-N 0 0 379.460 4.215 20 5 GIBDRN O=C(CC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)N1CCCC1 ZINC000121528444 823200450 /nfs/dbraw/zinc/20/04/50/823200450.db2.gz HAFBIVJJHDMUMW-UHFFFAOYSA-N 0 0 397.475 4.079 20 5 GIBDRN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000121532750 823200947 /nfs/dbraw/zinc/20/09/47/823200947.db2.gz 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COCCOc1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)nc2ccccc21 ZINC000121595325 823212886 /nfs/dbraw/zinc/21/28/86/823212886.db2.gz XDCRTNJWPJWFPI-UHFFFAOYSA-N 0 0 395.415 4.037 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000056806208 823217273 /nfs/dbraw/zinc/21/72/73/823217273.db2.gz FUIUVLLCFOARKX-MEDUHNTESA-N 0 0 375.812 4.132 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(COc4ccccc4F)no3)cs2)c1 ZINC000188339597 823221835 /nfs/dbraw/zinc/22/18/35/823221835.db2.gz AQTSOOSZNTVIIQ-UHFFFAOYSA-N 0 0 398.375 4.486 20 5 GIBDRN Cc1ccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])o1 ZINC000571710956 823222606 /nfs/dbraw/zinc/22/26/06/823222606.db2.gz MNVBPVFPOUDAJN-UHFFFAOYSA-N 0 0 380.400 4.048 20 5 GIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC2(CCCC2)CC1 ZINC000571722105 823224870 /nfs/dbraw/zinc/22/48/70/823224870.db2.gz YWCFQPMCKGISPL-UHFFFAOYSA-N 0 0 386.370 4.332 20 5 GIBDRN O=C(NCc1nccn1CCCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176510404 823225085 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823256537 /nfs/dbraw/zinc/25/65/37/823256537.db2.gz JPYAHFJPUXMKRW-UHFFFAOYSA-N 0 0 381.457 4.010 20 5 GIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000001982741 817379238 /nfs/dbraw/zinc/37/92/38/817379238.db2.gz KPGZOMMMAVWLFR-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176656996 823259176 /nfs/dbraw/zinc/25/91/76/823259176.db2.gz SZFVCIRKBROMML-HWPZZCPQSA-N 0 0 383.231 4.408 20 5 GIBDRN C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000057187760 823261306 /nfs/dbraw/zinc/26/13/06/823261306.db2.gz MCWDMIGZJDPUCO-FASAQXTFSA-N 0 0 387.411 4.014 20 5 GIBDRN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000003380387 817444653 /nfs/dbraw/zinc/44/46/53/817444653.db2.gz HJRYMTJFUUJMSS-UHFFFAOYSA-N 0 0 392.367 4.183 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000003394858 817447905 /nfs/dbraw/zinc/44/79/05/817447905.db2.gz 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O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000572154646 823291426 /nfs/dbraw/zinc/29/14/26/823291426.db2.gz HHMXJQOVLCXGNB-UHFFFAOYSA-N 0 0 379.185 4.167 20 5 GIBDRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007184768 817784817 /nfs/dbraw/zinc/78/48/17/817784817.db2.gz PEJJSRONNSUEEK-DOMZBBRYSA-N 0 0 391.518 4.478 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2c(cccc2F)s1 ZINC000007250382 817804618 /nfs/dbraw/zinc/80/46/18/817804618.db2.gz DDBJUHPWYCPYSD-UHFFFAOYSA-N 0 0 388.376 4.053 20 5 GIBDRN COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000057405301 823291709 /nfs/dbraw/zinc/29/17/09/823291709.db2.gz WROBPEXLXARIHY-QHCPKHFHSA-N 0 0 390.439 4.360 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000007370168 817825966 /nfs/dbraw/zinc/82/59/66/817825966.db2.gz UDXLJHHCAQWGTE-QGZVFWFLSA-N 0 0 387.461 4.146 20 5 GIBDRN O=[N+]([O-])c1ccccc1Sc1ccccc1-c1nc(Cn2cccn2)no1 ZINC000572162213 823292266 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385.203 4.316 20 5 GIBDRN COc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc([N+](=O)[O-])c1C ZINC000188725336 823293702 /nfs/dbraw/zinc/29/37/02/823293702.db2.gz HPONITVDFYCTOY-UHFFFAOYSA-N 0 0 385.420 4.067 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000007580630 817873364 /nfs/dbraw/zinc/87/33/64/817873364.db2.gz GURKGEOMBHNGEZ-UHFFFAOYSA-N 0 0 385.445 4.199 20 5 GIBDRN COc1ccc(Br)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000007627859 817882691 /nfs/dbraw/zinc/88/26/91/817882691.db2.gz LTFFKQSHVFSOQQ-SNVBAGLBSA-N 0 0 380.194 4.284 20 5 GIBDRN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007726151 817904059 /nfs/dbraw/zinc/90/40/59/817904059.db2.gz SYJDBDBJRVHZLZ-UHFFFAOYSA-N 0 0 389.795 4.075 20 5 GIBDRN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007726255 817904179 /nfs/dbraw/zinc/90/41/79/817904179.db2.gz CYNQNAHJAXZSDX-UHFFFAOYSA-N 0 0 389.795 4.075 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCc1nc(-c2cc(Br)cs2)no1 ZINC000057468260 823300703 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4.178 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007840594 817933484 /nfs/dbraw/zinc/93/34/84/817933484.db2.gz YNHIJEMKOWBINY-INIZCTEOSA-N 0 0 379.416 4.244 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000007921021 817958581 /nfs/dbraw/zinc/95/85/81/817958581.db2.gz BVXCUMIHBHWTQA-UHFFFAOYSA-N 0 0 395.342 4.193 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000057449361 823298701 /nfs/dbraw/zinc/29/87/01/823298701.db2.gz OBTNBZSNDSEGLQ-UHFFFAOYSA-N 0 0 375.428 4.221 20 5 GIBDRN CC(C)c1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc1[N+](=O)[O-] ZINC000572203732 823299553 /nfs/dbraw/zinc/29/95/53/823299553.db2.gz OZSGIXBWHTWKQQ-UHFFFAOYSA-N 0 0 379.420 4.430 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000122054482 823299579 /nfs/dbraw/zinc/29/95/79/823299579.db2.gz KUCYZRSZEYDLRV-LBPRGKRZSA-N 0 0 387.465 4.165 20 5 GIBDRN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000008052683 817989820 /nfs/dbraw/zinc/98/98/20/817989820.db2.gz PQHXQJXRLDZYBJ-VIFPVBQESA-N 0 0 389.260 4.478 20 5 GIBDRN Cc1cc(C(=O)OCC(=O)N[C@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000008066465 817992532 /nfs/dbraw/zinc/99/25/32/817992532.db2.gz GHWLSVKWIHDILC-OAHLLOKOSA-N 0 0 392.411 4.091 20 5 GIBDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000008075101 817994750 /nfs/dbraw/zinc/99/47/50/817994750.db2.gz ZYNDZISXRSCLMJ-UHFFFAOYSA-N 0 0 375.356 4.333 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008105747 818000954 /nfs/dbraw/zinc/00/09/54/818000954.db2.gz JMVBTHBPDIWDOB-OAHLLOKOSA-N 0 0 381.457 4.153 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000008204122 818018124 /nfs/dbraw/zinc/01/81/24/818018124.db2.gz WTELHJUVDFFAKE-HNNXBMFYSA-N 0 0 392.411 4.091 20 5 GIBDRN COc1cccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])s3)cs2)c1 ZINC000008234061 818021244 /nfs/dbraw/zinc/02/12/44/818021244.db2.gz OQPUSMKUMCKVDU-UHFFFAOYSA-N 0 0 376.415 4.145 20 5 GIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000008264772 818026101 /nfs/dbraw/zinc/02/61/01/818026101.db2.gz OPZJJTDSTCUBSS-NSHDSACASA-N 0 0 393.237 4.247 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000008265397 818026919 /nfs/dbraw/zinc/02/69/19/818026919.db2.gz HTLDFHCUTMJDMX-GFCCVEGCSA-N 0 0 387.486 4.344 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008290847 818030637 /nfs/dbraw/zinc/03/06/37/818030637.db2.gz FPSCIAFGGPRKGJ-QPJJXVBHSA-N 0 0 389.791 4.166 20 5 GIBDRN Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000188790059 823306394 /nfs/dbraw/zinc/30/63/94/823306394.db2.gz CLFPLQJIVZNGFT-CYBMUJFWSA-N 0 0 390.823 4.224 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000008302836 818032076 /nfs/dbraw/zinc/03/20/76/818032076.db2.gz VIHJIFAPPPNYLH-UHFFFAOYSA-N 0 0 382.395 4.156 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000010958247 818033895 /nfs/dbraw/zinc/03/38/95/818033895.db2.gz HXAHJDKTUZFZBL-UHFFFAOYSA-N 0 0 390.701 4.250 20 5 GIBDRN CCOc1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC ZINC000010962421 818034921 /nfs/dbraw/zinc/03/49/21/818034921.db2.gz VDZRRAODJKCYBE-CQSZACIVSA-N 0 0 388.420 4.107 20 5 GIBDRN CCOc1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC ZINC000010962424 818035022 /nfs/dbraw/zinc/03/50/22/818035022.db2.gz VDZRRAODJKCYBE-AWEZNQCLSA-N 0 0 388.420 4.107 20 5 GIBDRN COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000010998230 818042093 /nfs/dbraw/zinc/04/20/93/818042093.db2.gz JQDURQCNPQNTGO-UHFFFAOYSA-N 0 0 382.338 4.117 20 5 GIBDRN CSc1ccccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000011011879 818043984 /nfs/dbraw/zinc/04/39/84/818043984.db2.gz RLDMCWXXYOWCRP-UHFFFAOYSA-N 0 0 379.869 4.041 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000011012196 818044023 /nfs/dbraw/zinc/04/40/23/818044023.db2.gz UMXOUJFNDGIPRD-UHFFFAOYSA-N 0 0 398.846 4.475 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000011039699 818046705 /nfs/dbraw/zinc/04/67/05/818046705.db2.gz SVTHGALAAMQEPS-JTQLQIEISA-N 0 0 383.326 4.061 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011119664 818053699 /nfs/dbraw/zinc/05/36/99/818053699.db2.gz BDAGOZGMTNZFGN-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011205775 818061759 /nfs/dbraw/zinc/06/17/59/818061759.db2.gz NLNAKHPBMREXPJ-UHFFFAOYSA-N 0 0 397.412 4.171 20 5 GIBDRN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409795341 823309407 /nfs/dbraw/zinc/30/94/07/823309407.db2.gz HZGMOCGNCSQUOD-GFCCVEGCSA-N 0 0 378.350 4.302 20 5 GIBDRN Cc1cccc2c(CCNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c[nH]c21 ZINC000122124676 823309839 /nfs/dbraw/zinc/30/98/39/823309839.db2.gz FZZKQVCCJJQWBS-UHFFFAOYSA-N 0 0 392.459 4.301 20 5 GIBDRN COc1cc(COC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC(F)F ZINC000011321341 818071410 /nfs/dbraw/zinc/07/14/10/818071410.db2.gz QYYFZQMBZLKKGD-UHFFFAOYSA-N 0 0 393.298 4.308 20 5 GIBDRN C[C@H](OC(=O)CCCc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011317766 818071522 /nfs/dbraw/zinc/07/15/22/818071522.db2.gz XHLWTIYZXRCPNB-NSHDSACASA-N 0 0 396.852 4.203 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000011324716 818071982 /nfs/dbraw/zinc/07/19/82/818071982.db2.gz DAHBVTKIGOKOHX-UHFFFAOYSA-N 0 0 380.448 4.330 20 5 GIBDRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000188809246 823310122 /nfs/dbraw/zinc/31/01/22/823310122.db2.gz IXFBHBRLWXARKM-ZDUSSCGKSA-N 0 0 390.823 4.224 20 5 GIBDRN CC(C)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000011390254 818077870 /nfs/dbraw/zinc/07/78/70/818077870.db2.gz MUVNFNDFGKMATA-UHFFFAOYSA-N 0 0 376.796 4.313 20 5 GIBDRN CN(C(=O)c1cccs1)c1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000011490913 818087934 /nfs/dbraw/zinc/08/79/34/818087934.db2.gz OLBKHKWLIHAQEA-UHFFFAOYSA-N 0 0 396.424 4.290 20 5 GIBDRN Cn1c(Cl)cnc1COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000011539838 818093571 /nfs/dbraw/zinc/09/35/71/818093571.db2.gz MHGJWEFBAIXJMX-UHFFFAOYSA-N 0 0 386.795 4.082 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2c(C)cc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000011722890 818113958 /nfs/dbraw/zinc/11/39/58/818113958.db2.gz TYGGGVVTLOKMIB-UHFFFAOYSA-N 0 0 377.828 4.314 20 5 GIBDRN CCn1c(-c2cc(C)oc2C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460199692 823314366 /nfs/dbraw/zinc/31/43/66/823314366.db2.gz WIOXYOYFEXEENY-UHFFFAOYSA-N 0 0 381.436 4.252 20 5 GIBDRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122164737 823315626 /nfs/dbraw/zinc/31/56/26/823315626.db2.gz HUKNBRIXBLZNLM-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCc4sccc4C3)cc2[N+](=O)[O-])C1 ZINC000012215976 818147514 /nfs/dbraw/zinc/14/75/14/818147514.db2.gz 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Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)ccc1[N+](=O)[O-] ZINC000014079983 818221144 /nfs/dbraw/zinc/22/11/44/818221144.db2.gz PRVDQJNTAAUUNK-UHFFFAOYSA-N 0 0 396.371 4.013 20 5 GIBDRN O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(Cn2cncn2)cc1 ZINC000014148473 818225255 /nfs/dbraw/zinc/22/52/55/818225255.db2.gz CLEJZFKEYIKHOZ-UHFFFAOYSA-N 0 0 394.434 4.385 20 5 GIBDRN CCC(=O)c1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000014206349 818227601 /nfs/dbraw/zinc/22/76/01/818227601.db2.gz SJURUBFCKAONLI-UHFFFAOYSA-N 0 0 385.419 4.353 20 5 GIBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000014207706 818228197 /nfs/dbraw/zinc/22/81/97/818228197.db2.gz BHSKAQVXVJFAKT-DTWKUNHWSA-N 0 0 388.218 4.265 20 5 GIBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000014207708 818228235 /nfs/dbraw/zinc/22/82/35/818228235.db2.gz BHSKAQVXVJFAKT-RKDXNWHRSA-N 0 0 388.218 4.265 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(Cl)cccc2C1 ZINC000460237031 823326688 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O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccs2)c(Cc2ccccc2)c1 ZINC000015364634 818317310 /nfs/dbraw/zinc/31/73/10/818317310.db2.gz HHHABTHIEXRHEY-UHFFFAOYSA-N 0 0 375.427 4.015 20 5 GIBDRN Cc1cc(Br)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000015389387 818320213 /nfs/dbraw/zinc/32/02/13/818320213.db2.gz ZVLNDCLEFJLRNO-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN Cc1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000015395330 818320658 /nfs/dbraw/zinc/32/06/58/818320658.db2.gz DPHVSJHXFRASFU-UHFFFAOYSA-N 0 0 382.441 4.299 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 ZINC000015418279 818324055 /nfs/dbraw/zinc/32/40/55/818324055.db2.gz HYHCQHYGKFCDEE-UHFFFAOYSA-N 0 0 386.502 4.102 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1ccc(C(F)(F)F)cc1 ZINC000015439930 818325957 /nfs/dbraw/zinc/32/59/57/818325957.db2.gz AIOYWXFCTBPHDU-UHFFFAOYSA-N 0 0 384.379 4.065 20 5 GIBDRN O=[N+]([O-])c1ccccc1N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000015443564 818326229 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4.219 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000015798197 818368552 /nfs/dbraw/zinc/36/85/52/818368552.db2.gz OOJAYUJCEOZDBS-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122285953 823332593 /nfs/dbraw/zinc/33/25/93/823332593.db2.gz DWQMKJOVWWXOFM-CYBMUJFWSA-N 0 0 387.411 4.178 20 5 GIBDRN Cc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000015896499 818377898 /nfs/dbraw/zinc/37/78/98/818377898.db2.gz FXSHINNJZZDJMI-UHFFFAOYSA-N 0 0 382.445 4.365 20 5 GIBDRN Cc1noc(C2CC2)c1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122288918 823333159 /nfs/dbraw/zinc/33/31/59/823333159.db2.gz OJFULDWTDNKFTD-UHFFFAOYSA-N 0 0 381.186 4.175 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000016054131 818387343 /nfs/dbraw/zinc/38/73/43/818387343.db2.gz RJQFCAOBJFLGSR-JTQLQIEISA-N 0 0 389.458 4.332 20 5 GIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000016093910 818392642 /nfs/dbraw/zinc/39/26/42/818392642.db2.gz XAYOMDIPKYERTN-UHFFFAOYSA-N 0 0 396.468 4.028 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000016180539 818402187 /nfs/dbraw/zinc/40/21/87/818402187.db2.gz WMLYSMJLPMZSFM-UHFFFAOYSA-N 0 0 380.375 4.385 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000057800217 823334526 /nfs/dbraw/zinc/33/45/26/823334526.db2.gz XIVWQHIVMSKIMT-CYBMUJFWSA-N 0 0 384.461 4.144 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cn1 ZINC000057807721 823334906 /nfs/dbraw/zinc/33/49/06/823334906.db2.gz TZXVYPKNMLSUHD-UHFFFAOYSA-N 0 0 388.733 4.103 20 5 GIBDRN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000016301826 818419060 /nfs/dbraw/zinc/41/90/60/818419060.db2.gz JNXIQJMHYBBICM-UHFFFAOYSA-N 0 0 393.365 4.144 20 5 GIBDRN CC(C)c1ccccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000016312749 818421275 /nfs/dbraw/zinc/42/12/75/818421275.db2.gz ZRIKBQDBNPDBBZ-UHFFFAOYSA-N 0 0 375.856 4.442 20 5 GIBDRN Cc1nn([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c(C)c1[N+](=O)[O-] ZINC000122309337 823336107 /nfs/dbraw/zinc/33/61/07/823336107.db2.gz LIUSZXBPFQOQRC-SECBINFHSA-N 0 0 382.207 4.374 20 5 GIBDRN C[C@H]1CC(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000188975078 823336809 /nfs/dbraw/zinc/33/68/09/823336809.db2.gz RGSIIPLIHLEHJB-GJZGRUSLSA-N 0 0 384.432 4.316 20 5 GIBDRN CC(=O)c1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000572428310 823337039 /nfs/dbraw/zinc/33/70/39/823337039.db2.gz VYPYBKNKJHKUIN-UHFFFAOYSA-N 0 0 389.402 4.152 20 5 GIBDRN CCC[C@@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000016601601 818458935 /nfs/dbraw/zinc/45/89/35/818458935.db2.gz ZLHJGBNYURYCGX-MRXNPFEDSA-N 0 0 392.459 4.295 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)OCc2cc(F)cc3c2OCOC3)cc1[N+](=O)[O-] ZINC000016673752 818463991 /nfs/dbraw/zinc/46/39/91/818463991.db2.gz XQRNYTRVNYLCRK-UHFFFAOYSA-N 0 0 389.379 4.255 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC(COc2ccccc2)C1 ZINC000572436791 823338979 /nfs/dbraw/zinc/33/89/79/823338979.db2.gz HCTJWOWRMIQHNF-UHFFFAOYSA-N 0 0 386.473 4.246 20 5 GIBDRN CC(C)C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000016966970 818493549 /nfs/dbraw/zinc/49/35/49/818493549.db2.gz FLTHRLDNMCOBLA-VSRDTVRMSA-N 0 0 378.432 4.388 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000016987535 818496477 /nfs/dbraw/zinc/49/64/77/818496477.db2.gz OPYALFRCTVIALG-VIFPVBQESA-N 0 0 386.738 4.256 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc([N+](=O)[O-])c1 ZINC000017360908 818512512 /nfs/dbraw/zinc/51/25/12/818512512.db2.gz PWUWGLPYMSZYTI-UHFFFAOYSA-N 0 0 386.404 4.027 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1sc(-c2cccs2)nc1C ZINC000017367894 818513043 /nfs/dbraw/zinc/51/30/43/818513043.db2.gz RKLIGJQUTZGFBP-UHFFFAOYSA-N 0 0 376.415 4.316 20 5 GIBDRN Cc1c(CC(=O)NCCc2nc(C3CCCCC3)cs2)cccc1[N+](=O)[O-] ZINC000122359915 823343712 /nfs/dbraw/zinc/34/37/12/823343712.db2.gz APAZCFBAQZQBEL-UHFFFAOYSA-N 0 0 387.505 4.309 20 5 GIBDRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)sc1Br ZINC000122362554 823343863 /nfs/dbraw/zinc/34/38/63/823343863.db2.gz CUZFWQHNEFAPSR-UHFFFAOYSA-N 0 0 385.239 4.297 20 5 GIBDRN CCN(CC)c1nc2sc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000409922375 823344490 /nfs/dbraw/zinc/34/44/90/823344490.db2.gz XEEMHPKALZSLOG-UHFFFAOYSA-N 0 0 390.490 4.042 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000018076771 818543259 /nfs/dbraw/zinc/54/32/59/818543259.db2.gz XNHSHCYYIKFKHQ-UHFFFAOYSA-N 0 0 386.791 4.428 20 5 GIBDRN CC[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000018152938 818551449 /nfs/dbraw/zinc/55/14/49/818551449.db2.gz OQKVSQMJQSKNSX-QGZVFWFLSA-N 0 0 381.476 4.121 20 5 GIBDRN O=[N+]([O-])c1ccccc1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000018162172 818552921 /nfs/dbraw/zinc/55/29/21/818552921.db2.gz HIZMPBTVUNMHAN-UHFFFAOYSA-N 0 0 385.276 4.300 20 5 GIBDRN Cc1ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000018174093 818554030 /nfs/dbraw/zinc/55/40/30/818554030.db2.gz OLWNUCONSKTLSF-UHFFFAOYSA-N 0 0 382.342 4.156 20 5 GIBDRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000018204499 818556205 /nfs/dbraw/zinc/55/62/05/818556205.db2.gz RRTFEVRYXYFNET-NSHDSACASA-N 0 0 386.429 4.318 20 5 GIBDRN CC(C)(NC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000177000914 823346527 /nfs/dbraw/zinc/34/65/27/823346527.db2.gz SWDJHRYESZJSHC-UHFFFAOYSA-N 0 0 396.447 4.169 20 5 GIBDRN CC(C)(NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000177002519 823346809 /nfs/dbraw/zinc/34/68/09/823346809.db2.gz JAKWBBBMCIIUOJ-LJQANCHMSA-N 0 0 399.447 4.209 20 5 GIBDRN Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)ccc1[N+](=O)[O-] ZINC000018891130 818579415 /nfs/dbraw/zinc/57/94/15/818579415.db2.gz QTLLRPRVCHYXQQ-UHFFFAOYSA-N 0 0 382.416 4.217 20 5 GIBDRN O=[N+]([O-])c1ccccc1N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000018905213 818580393 /nfs/dbraw/zinc/58/03/93/818580393.db2.gz BDLAPUSTJLCGBZ-UHFFFAOYSA-N 0 0 386.502 4.102 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F ZINC000057909509 823347475 /nfs/dbraw/zinc/34/74/75/823347475.db2.gz RYSJJPYNBLSSNB-NWDGAFQWSA-N 0 0 378.425 4.101 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000122386602 823347482 /nfs/dbraw/zinc/34/74/82/823347482.db2.gz ZMDDYLWQQGWSOD-RDTXWAMCSA-N 0 0 386.473 4.214 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC000019159623 818585911 /nfs/dbraw/zinc/58/59/11/818585911.db2.gz AMKXLENIVNOFRT-UHFFFAOYSA-N 0 0 396.399 4.432 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccc(Br)s3)o2)c1 ZINC000019192901 818587440 /nfs/dbraw/zinc/58/74/40/818587440.db2.gz KGQYBYPTNMEGIX-UHFFFAOYSA-N 0 0 396.222 4.356 20 5 GIBDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000409939359 823348153 /nfs/dbraw/zinc/34/81/53/823348153.db2.gz RLNCIHAWMPPPPK-UHFFFAOYSA-N 0 0 386.839 4.010 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000409939003 823348242 /nfs/dbraw/zinc/34/82/42/823348242.db2.gz QJSNOVFFNUUDQM-UHFFFAOYSA-N 0 0 379.203 4.039 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C(C)(C)C)cs2)cc1OC ZINC000019358220 818591906 /nfs/dbraw/zinc/59/19/06/818591906.db2.gz WMAYOUFOYGJCNR-UHFFFAOYSA-N 0 0 379.438 4.008 20 5 GIBDRN Cc1ccc2cccc(OS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2n1 ZINC000019684368 818598299 /nfs/dbraw/zinc/59/82/99/818598299.db2.gz AQRCVDMVXFVKDQ-UHFFFAOYSA-N 0 0 392.820 4.181 20 5 GIBDRN O=C(Nc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177009563 823348663 /nfs/dbraw/zinc/34/86/63/823348663.db2.gz PGSASDQOKYMHNS-UHFFFAOYSA-N 0 0 377.853 4.054 20 5 GIBDRN Cc1sc2[nH]c(Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1-c1ccccc1 ZINC000020368741 818619005 /nfs/dbraw/zinc/61/90/05/818619005.db2.gz RIXPDPCPYARKLR-UHFFFAOYSA-N 0 0 377.425 4.459 20 5 GIBDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000460321024 823352429 /nfs/dbraw/zinc/35/24/29/823352429.db2.gz LRWRINWCONAZGO-AWEZNQCLSA-N 0 0 391.265 4.451 20 5 GIBDRN CCOC(=O)c1sc2nc(C)nc(Oc3ccc([N+](=O)[O-])c(C)c3)c2c1C ZINC000020669691 818629179 /nfs/dbraw/zinc/62/91/79/818629179.db2.gz BSENXSAAEZVNAA-UHFFFAOYSA-N 0 0 387.417 4.494 20 5 GIBDRN O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)c1 ZINC000021030227 818648555 /nfs/dbraw/zinc/64/85/55/818648555.db2.gz RJZSDVAXCIFUDG-ACCUITESSA-N 0 0 398.440 4.191 20 5 GIBDRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000021045330 818649260 /nfs/dbraw/zinc/64/92/60/818649260.db2.gz OYNUUQNTMOENAF-ZBFHGGJFSA-N 0 0 395.459 4.408 20 5 GIBDRN COc1ccc(CNC(=O)c2ccccc2N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000409945032 823350099 /nfs/dbraw/zinc/35/00/99/823350099.db2.gz CYSBADZVAAZFQL-UHFFFAOYSA-N 0 0 391.427 4.301 20 5 GIBDRN CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000021232755 818667396 /nfs/dbraw/zinc/66/73/96/818667396.db2.gz NTZWJVGVVJJDMY-UHFFFAOYSA-N 0 0 387.194 4.078 20 5 GIBDRN Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1OCC(F)(F)F ZINC000122410108 823350380 /nfs/dbraw/zinc/35/03/80/823350380.db2.gz OPUDDRJURWORDV-UHFFFAOYSA-N 0 0 390.264 4.375 20 5 GIBDRN CC(=O)c1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000057962495 823350926 /nfs/dbraw/zinc/35/09/26/823350926.db2.gz OHYBKIJNADVZNQ-UHFFFAOYSA-N 0 0 395.337 4.257 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000021348235 818678947 /nfs/dbraw/zinc/67/89/47/818678947.db2.gz QDRUAVNNBKVTMS-CQSZACIVSA-N 0 0 384.432 4.005 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000021355263 818679724 /nfs/dbraw/zinc/67/97/24/818679724.db2.gz YZCFFCMGXTXPJA-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000409965993 823356773 /nfs/dbraw/zinc/35/67/73/823356773.db2.gz KHUCYOVMBBJXPN-ABAIWWIYSA-N 0 0 381.354 4.175 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000021571072 818706323 /nfs/dbraw/zinc/70/63/23/818706323.db2.gz QGHOEFFZWJQKFZ-SNVBAGLBSA-N 0 0 397.200 4.211 20 5 GIBDRN CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000021592736 818710287 /nfs/dbraw/zinc/71/02/87/818710287.db2.gz BCJISRCCRZXMHR-CQSZACIVSA-N 0 0 378.812 4.147 20 5 GIBDRN Cc1ccc(OCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000460351462 823361172 /nfs/dbraw/zinc/36/11/72/823361172.db2.gz MDPGOJMJLWQGCQ-FQEVSTJZSA-N 0 0 386.473 4.255 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Br)cc1[N+](=O)[O-] ZINC000021623182 818715117 /nfs/dbraw/zinc/71/51/17/818715117.db2.gz YEFFUJPVLQEDRA-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000572561081 823361195 /nfs/dbraw/zinc/36/11/95/823361195.db2.gz OWQXBDPICWXYJP-UHFFFAOYSA-N 0 0 392.358 4.010 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021635808 818718088 /nfs/dbraw/zinc/71/80/88/818718088.db2.gz PRGNEBMPKHSZPK-UHFFFAOYSA-N 0 0 391.758 4.393 20 5 GIBDRN COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000021692576 818726486 /nfs/dbraw/zinc/72/64/86/818726486.db2.gz XFOZNBOXUMMEST-UHFFFAOYSA-N 0 0 388.851 4.499 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000409976862 823360068 /nfs/dbraw/zinc/36/00/68/823360068.db2.gz CZKODJWZBHAOSD-OAHLLOKOSA-N 0 0 379.416 4.450 20 5 GIBDRN O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000022021985 818764809 /nfs/dbraw/zinc/76/48/09/818764809.db2.gz FQZMBLWHUHPNSG-UHFFFAOYSA-N 0 0 377.422 4.340 20 5 GIBDRN COc1cc(Cc2noc([C@@H](C)Oc3ccc(C)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000572568023 823362457 /nfs/dbraw/zinc/36/24/57/823362457.db2.gz SGASKFRMFFIAHU-CYBMUJFWSA-N 0 0 399.403 4.034 20 5 GIBDRN O=C(CCOc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355995 823362635 /nfs/dbraw/zinc/36/26/35/823362635.db2.gz YLLTXUBDGDEKCA-SFHVURJKSA-N 0 0 392.864 4.291 20 5 GIBDRN O=C(c1sccc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460357069 823362973 /nfs/dbraw/zinc/36/29/73/823362973.db2.gz FFPBALYXEPENNH-CQSZACIVSA-N 0 0 399.291 4.307 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000022236779 818784128 /nfs/dbraw/zinc/78/41/28/818784128.db2.gz PTXFQRJZQXTNND-ZDUSSCGKSA-N 0 0 398.444 4.381 20 5 GIBDRN CC(=O)c1ccc(N[C@H](c2nccn2C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000022260974 818787010 /nfs/dbraw/zinc/78/70/10/818787010.db2.gz IKRKGINZYSWKSE-SFHVURJKSA-N 0 0 384.823 4.386 20 5 GIBDRN O=C(CCCOc1ccccc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359790 823363604 /nfs/dbraw/zinc/36/36/04/823363604.db2.gz BWXCAXSUBIDASJ-IBGZPJMESA-N 0 0 390.436 4.167 20 5 GIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1ccccc1[N+](=O)[O-] ZINC000022286705 818790143 /nfs/dbraw/zinc/79/01/43/818790143.db2.gz KMMAGJFRAGZYKW-UHFFFAOYSA-N 0 0 388.326 4.204 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000022398585 818801713 /nfs/dbraw/zinc/80/17/13/818801713.db2.gz DNBWCBVPLYXFRO-CYBMUJFWSA-N 0 0 388.445 4.184 20 5 GIBDRN CN(C)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000022419597 818804020 /nfs/dbraw/zinc/80/40/20/818804020.db2.gz TVXFDBPYHRFWFN-UHFFFAOYSA-N 0 0 377.404 4.052 20 5 GIBDRN C[C@@H](C(=O)NCc1nc(-c2ccccc2F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000572579652 823364869 /nfs/dbraw/zinc/36/48/69/823364869.db2.gz ZYULQKZGGPEWKR-GFCCVEGCSA-N 0 0 385.420 4.277 20 5 GIBDRN Cc1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 ZINC000022476344 818813335 /nfs/dbraw/zinc/81/33/35/818813335.db2.gz SEKDFJSDJRWVNW-UHFFFAOYSA-N 0 0 383.407 4.243 20 5 GIBDRN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(Cc2ccccc2)CC1 ZINC000177078074 823365612 /nfs/dbraw/zinc/36/56/12/823365612.db2.gz UMTINBCSMNNYOL-UHFFFAOYSA-N 0 0 378.384 4.316 20 5 GIBDRN CCn1cc(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000460368261 823365790 /nfs/dbraw/zinc/36/57/90/823365790.db2.gz YUZYFOCGLKVODQ-NRFANRHFSA-N 0 0 395.484 4.386 20 5 GIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000022547227 818823357 /nfs/dbraw/zinc/82/33/57/818823357.db2.gz FLFCWNVESNEQDJ-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000022560581 818827198 /nfs/dbraw/zinc/82/71/98/818827198.db2.gz NPAQAPFGTMGDKX-RUNBWSAHSA-N 0 0 388.807 4.140 20 5 GIBDRN O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000022559772 818827346 /nfs/dbraw/zinc/82/73/46/818827346.db2.gz CBWLLPIOVCNVSL-UHFFFAOYSA-N 0 0 399.366 4.327 20 5 GIBDRN CNc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000022656427 818838056 /nfs/dbraw/zinc/83/80/56/818838056.db2.gz JGEMCEAIZKSLLO-FQEVSTJZSA-N 0 0 375.428 4.350 20 5 GIBDRN O=C(CCCOc1cccc(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460352935 823361846 /nfs/dbraw/zinc/36/18/46/823361846.db2.gz OIECALNSSZFJKX-LJQANCHMSA-N 0 0 390.436 4.167 20 5 GIBDRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000058189928 823367960 /nfs/dbraw/zinc/36/79/60/823367960.db2.gz WYDMMSICORVTQI-UHFFFAOYSA-N 0 0 390.464 4.352 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000022911676 818875808 /nfs/dbraw/zinc/87/58/08/818875808.db2.gz MZECCXKSMUUXNB-ZIAGYGMSSA-N 0 0 396.399 4.072 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000023115916 818899841 /nfs/dbraw/zinc/89/98/41/818899841.db2.gz LPCBDJCEIXGUOL-GFCCVEGCSA-N 0 0 398.406 4.453 20 5 GIBDRN COc1ccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 ZINC000460385321 823371650 /nfs/dbraw/zinc/37/16/50/823371650.db2.gz ZHFDBTGEZJFCEC-UHFFFAOYSA-N 0 0 388.383 4.195 20 5 GIBDRN Cc1cc(=O)oc2cc(OC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000023131951 818902151 /nfs/dbraw/zinc/90/21/51/818902151.db2.gz GAUKBGONSVTONA-LBPRGKRZSA-N 0 0 385.397 4.096 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(Br)cc1 ZINC000023227072 818913115 /nfs/dbraw/zinc/91/31/15/818913115.db2.gz KEKVUNDMBDIBCD-SNVBAGLBSA-N 0 0 382.235 4.444 20 5 GIBDRN COc1cc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc([N+](=O)[O-])c1C ZINC000189193491 823373636 /nfs/dbraw/zinc/37/36/36/823373636.db2.gz UVVBIQHGRFJQEQ-IRXDYDNUSA-N 0 0 388.464 4.056 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)c(F)c1 ZINC000460392320 823374186 /nfs/dbraw/zinc/37/41/86/823374186.db2.gz JMLPHVALPVROAQ-UHFFFAOYSA-N 0 0 387.592 4.331 20 5 GIBDRN COc1cccc(-n2c(NC(=O)c3csc([N+](=O)[O-])c3)nc3ccccc32)c1 ZINC000460392064 823374258 /nfs/dbraw/zinc/37/42/58/823374258.db2.gz WTWHODAGTPCVEJ-UHFFFAOYSA-N 0 0 394.412 4.256 20 5 GIBDRN COc1ccc(CN(CC2CC2)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000410029950 823374489 /nfs/dbraw/zinc/37/44/89/823374489.db2.gz OFTHGOWQPVHWQT-UHFFFAOYSA-N 0 0 385.420 4.056 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(OC(C)C)c1 ZINC000189202232 823374703 /nfs/dbraw/zinc/37/47/03/823374703.db2.gz UFPFSMXAZSNYID-UHFFFAOYSA-N 0 0 381.388 4.191 20 5 GIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023456383 818943052 /nfs/dbraw/zinc/94/30/52/818943052.db2.gz NEOXZUQMXDAUHY-UHFFFAOYSA-N 0 0 387.392 4.330 20 5 GIBDRN COc1cc(C(=O)Nc2cc(Br)ccc2F)cc([N+](=O)[O-])c1C ZINC000189205403 823375355 /nfs/dbraw/zinc/37/53/55/823375355.db2.gz KFSIWKWVIHRBOY-UHFFFAOYSA-N 0 0 383.173 4.066 20 5 GIBDRN CN(CC1(c2ccccc2)CC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000189213955 823377037 /nfs/dbraw/zinc/37/70/37/823377037.db2.gz LXCMRXTTXNBIEY-UHFFFAOYSA-N 0 0 393.487 4.001 20 5 GIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000410043322 823378319 /nfs/dbraw/zinc/37/83/19/823378319.db2.gz OWHHNCABELZIRZ-OAHLLOKOSA-N 0 0 388.489 4.331 20 5 GIBDRN COc1cc(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)ccc1OC(F)F ZINC000024057902 819017091 /nfs/dbraw/zinc/01/70/91/819017091.db2.gz ADDVXOBUBRFSPO-UHFFFAOYSA-N 0 0 389.358 4.389 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000460410403 823380080 /nfs/dbraw/zinc/38/00/80/823380080.db2.gz YYGSVTXKIRYEPO-WFASDCNBSA-N 0 0 385.386 4.207 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCOc1ccccc1Cl ZINC000024185541 819030464 /nfs/dbraw/zinc/03/04/64/819030464.db2.gz CSCALEYMAZYCOU-CYBMUJFWSA-N 0 0 394.880 4.266 20 5 GIBDRN COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1F ZINC000410053582 823380948 /nfs/dbraw/zinc/38/09/48/823380948.db2.gz NFQLSNNHBOIHSI-HAQNSBGRSA-N 0 0 393.802 4.464 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024371175 819051651 /nfs/dbraw/zinc/05/16/51/819051651.db2.gz ZQURSBSLZHMGPV-UHFFFAOYSA-N 0 0 394.284 4.191 20 5 GIBDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460418573 823382722 /nfs/dbraw/zinc/38/27/22/823382722.db2.gz GNDJRSVMGMLKNZ-GOSISDBHSA-N 0 0 392.459 4.182 20 5 GIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000024477007 819062548 /nfs/dbraw/zinc/06/25/48/819062548.db2.gz ADWNYZXPNGYSAY-UHFFFAOYSA-N 0 0 381.232 4.223 20 5 GIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000024520977 819067254 /nfs/dbraw/zinc/06/72/54/819067254.db2.gz NNYPNTSUBXLJIY-LLVKDONJSA-N 0 0 383.231 4.466 20 5 GIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nccs1 ZINC000122629222 823384354 /nfs/dbraw/zinc/38/43/54/823384354.db2.gz JJWQNEZNEUTFAV-ZDUSSCGKSA-N 0 0 396.266 4.181 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000122638537 823385720 /nfs/dbraw/zinc/38/57/20/823385720.db2.gz ZHFQZIRDJCACGY-LIRRHRJNSA-N 0 0 388.851 4.075 20 5 GIBDRN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000572755587 823393159 /nfs/dbraw/zinc/39/31/59/823393159.db2.gz CQVCETVJSVSUJV-SECBINFHSA-N 0 0 383.420 4.047 20 5 GIBDRN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000460452567 823394089 /nfs/dbraw/zinc/39/40/89/823394089.db2.gz QYQHSZPKDAOPKA-CYBMUJFWSA-N 0 0 376.840 4.110 20 5 GIBDRN COc1cc(Cc2noc(Cc3cccc(Cl)c3Cl)n2)ccc1[N+](=O)[O-] ZINC000572762156 823394249 /nfs/dbraw/zinc/39/42/49/823394249.db2.gz FITZWEBHFLHTGU-UHFFFAOYSA-N 0 0 394.214 4.475 20 5 GIBDRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460461917 823397714 /nfs/dbraw/zinc/39/77/14/823397714.db2.gz RHHJLJJKXDDHJR-FRRDWIJNSA-N 0 0 386.370 4.235 20 5 GIBDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460461922 823397767 /nfs/dbraw/zinc/39/77/67/823397767.db2.gz RHHJLJJKXDDHJR-RWMBFGLXSA-N 0 0 386.370 4.235 20 5 GIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000058491381 823399337 /nfs/dbraw/zinc/39/93/37/823399337.db2.gz PDUWLQRKTFOJAW-UHFFFAOYSA-N 0 0 394.818 4.409 20 5 GIBDRN O=C(NCc1ccc(OCc2ccccc2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000410139050 823399760 /nfs/dbraw/zinc/39/97/60/823399760.db2.gz IRCQYPSYBPUNQL-UHFFFAOYSA-N 0 0 391.427 4.173 20 5 GIBDRN C[C@H](CCc1cccn1C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000460471532 823400521 /nfs/dbraw/zinc/40/05/21/823400521.db2.gz NSDUFLZTXPGTEA-MRXNPFEDSA-N 0 0 393.443 4.477 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000460472623 823400854 /nfs/dbraw/zinc/40/08/54/823400854.db2.gz OMCLQTXEPOYHMF-UHFFFAOYSA-N 0 0 392.202 4.043 20 5 GIBDRN CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000058501452 823401024 /nfs/dbraw/zinc/40/10/24/823401024.db2.gz GEUHFJAMSNWBED-HUUCEWRRSA-N 0 0 380.491 4.003 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000460477503 823402358 /nfs/dbraw/zinc/40/23/58/823402358.db2.gz SLNLSMAEQUUUNR-UHFFFAOYSA-N 0 0 389.839 4.203 20 5 GIBDRN O=C(CCOc1cccc(Cl)c1Cl)NCCc1ccccc1[N+](=O)[O-] ZINC000460492856 823407010 /nfs/dbraw/zinc/40/70/10/823407010.db2.gz QOFKRHAIPXJHID-UHFFFAOYSA-N 0 0 383.231 4.029 20 5 GIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000122760550 823407387 /nfs/dbraw/zinc/40/73/87/823407387.db2.gz CDPVZZFRVNLDLS-AWEZNQCLSA-N 0 0 390.465 4.164 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000572851602 823409561 /nfs/dbraw/zinc/40/95/61/823409561.db2.gz SSMWXCAWDORIIC-UHFFFAOYSA-N 0 0 385.468 4.078 20 5 GIBDRN C[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000460501071 823409841 /nfs/dbraw/zinc/40/98/41/823409841.db2.gz FOVZOSUROYZEIF-ZDUSSCGKSA-N 0 0 380.366 4.466 20 5 GIBDRN COc1cc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000058605947 823415725 /nfs/dbraw/zinc/41/57/25/823415725.db2.gz YKZYMNXGVDSFNF-UHFFFAOYSA-N 0 0 375.450 4.298 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ncccc12 ZINC000058611054 823416580 /nfs/dbraw/zinc/41/65/80/823416580.db2.gz YCCXUJIOILZDAJ-INIZCTEOSA-N 0 0 377.400 4.256 20 5 GIBDRN Cc1ccc(CC[C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000460531097 823421600 /nfs/dbraw/zinc/42/16/00/823421600.db2.gz WOLXAXXJENPOBF-GFCCVEGCSA-N 0 0 385.445 4.371 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410218277 823423101 /nfs/dbraw/zinc/42/31/01/823423101.db2.gz WPKZJNOGOXSTFS-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN Nc1c(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000410222082 823424138 /nfs/dbraw/zinc/42/41/38/823424138.db2.gz CLGOQSPSGCFDBF-UHFFFAOYSA-N 0 0 395.793 4.071 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@](F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000572941440 823424320 /nfs/dbraw/zinc/42/43/20/823424320.db2.gz IVTZBAVGFCYLSQ-VLIAUNLRSA-N 0 0 389.402 4.384 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000189471052 823424382 /nfs/dbraw/zinc/42/43/82/823424382.db2.gz MFWQOUABYROMFI-UHFFFAOYSA-N 0 0 392.864 4.420 20 5 GIBDRN COc1c(Cl)cccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000122858147 823424443 /nfs/dbraw/zinc/42/44/43/823424443.db2.gz SGOSPDPVIBLPJV-UHFFFAOYSA-N 0 0 375.812 4.453 20 5 GIBDRN COc1cc(C(=O)NCC[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000410209553 823420535 /nfs/dbraw/zinc/42/05/35/823420535.db2.gz IUHVTGVBQZVWHZ-LBPRGKRZSA-N 0 0 394.374 4.128 20 5 GIBDRN C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C(=O)N1c1ccccc1 ZINC000460546338 823427063 /nfs/dbraw/zinc/42/70/63/823427063.db2.gz KKYGFJMTQPJLRD-ZHRRBRCNSA-N 0 0 395.462 4.312 20 5 GIBDRN CSc1ccc([C@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000410236959 823429560 /nfs/dbraw/zinc/42/95/60/823429560.db2.gz RBTHALLAQYZQJT-JTQLQIEISA-N 0 0 382.388 4.409 20 5 GIBDRN Cc1cc(Oc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000572987848 823430643 /nfs/dbraw/zinc/43/06/43/823430643.db2.gz LRVJTSHZIZHFEX-UHFFFAOYSA-N 0 0 375.324 4.118 20 5 GIBDRN C[C@H](O)C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000177316175 823430667 /nfs/dbraw/zinc/43/06/67/823430667.db2.gz BRUISYLNAMVBPQ-BBRMVZONSA-N 0 0 384.457 4.094 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000122908854 823432572 /nfs/dbraw/zinc/43/25/72/823432572.db2.gz XCKLPZMBUUEIIV-UHFFFAOYSA-N 0 0 399.447 4.296 20 5 GIBDRN COc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 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COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000042390727 821306363 /nfs/dbraw/zinc/30/63/63/821306363.db2.gz IUYRMBRFNPDMSO-UHFFFAOYSA-N 0 0 382.372 4.336 20 5 GIBDRN Cc1cccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000042760009 821331616 /nfs/dbraw/zinc/33/16/16/821331616.db2.gz BZOFXRSFKQXNTB-UHFFFAOYSA-N 0 0 396.422 4.137 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000043273438 821384971 /nfs/dbraw/zinc/38/49/71/821384971.db2.gz MPVHTTSWDIZMPN-LJQANCHMSA-N 0 0 390.399 4.096 20 5 GIBDRN O=C(NCc1ccc(Br)s1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341735 821394977 /nfs/dbraw/zinc/39/49/77/821394977.db2.gz SNMUEFLVYJILHR-UHFFFAOYSA-N 0 0 390.646 4.394 20 5 GIBDRN Cc1cccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000180713803 821412023 /nfs/dbraw/zinc/41/20/23/821412023.db2.gz LGEGLOBHWUTCLB-MRXNPFEDSA-N 0 0 394.349 4.136 20 5 GIBDRN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000043531311 821423306 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GIBDRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000180910730 821531950 /nfs/dbraw/zinc/53/19/50/821531950.db2.gz XJUMQZFYPDCGFM-UHFFFAOYSA-N 0 0 376.775 4.318 20 5 GIBDRN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc2ccccc2c2cccnc12 ZINC000180943127 821549623 /nfs/dbraw/zinc/54/96/23/821549623.db2.gz MWKVYCWIXKQFCY-SFHVURJKSA-N 0 0 395.462 4.203 20 5 GIBDRN COc1cccc(Oc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)c1 ZINC000180959765 821557326 /nfs/dbraw/zinc/55/73/26/821557326.db2.gz BQEYGPOXYHQJBW-UHFFFAOYSA-N 0 0 379.372 4.230 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000044281901 821559575 /nfs/dbraw/zinc/55/95/75/821559575.db2.gz SWMHYVZIUOGWTN-LBPRGKRZSA-N 0 0 389.458 4.092 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000044281903 821559641 /nfs/dbraw/zinc/55/96/41/821559641.db2.gz SWMHYVZIUOGWTN-GFCCVEGCSA-N 0 0 389.458 4.092 20 5 GIBDRN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(=O)N1CCCC1 ZINC000044537731 821601851 /nfs/dbraw/zinc/60/18/51/821601851.db2.gz XTMHYCXQALKLLY-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN COCc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000044550567 821607056 /nfs/dbraw/zinc/60/70/56/821607056.db2.gz UNJIZLROTHAOML-UHFFFAOYSA-N 0 0 397.353 4.201 20 5 GIBDRN Cc1c(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000044578864 821614394 /nfs/dbraw/zinc/61/43/94/821614394.db2.gz JLBYXXFBYVVWQB-HXUWFJFHSA-N 0 0 389.411 4.013 20 5 GIBDRN Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044581789 821615361 /nfs/dbraw/zinc/61/53/61/821615361.db2.gz CNGPMQKJNLEYSZ-UHFFFAOYSA-N 0 0 384.413 4.039 20 5 GIBDRN CCc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])cnc3C)s2)c1 ZINC000044744012 821652999 /nfs/dbraw/zinc/65/29/99/821652999.db2.gz VQFHUEIMUFZPGG-UHFFFAOYSA-N 0 0 382.445 4.160 20 5 GIBDRN CCC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000044795536 821663916 /nfs/dbraw/zinc/66/39/16/821663916.db2.gz LRWXTWONAXLEAE-UHFFFAOYSA-N 0 0 399.450 4.142 20 5 GIBDRN CCOc1ccc(OCC)c(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000044832056 821669395 /nfs/dbraw/zinc/66/93/95/821669395.db2.gz LAEZWVXIDHQIIS-CQSZACIVSA-N 0 0 387.436 4.140 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000044895446 821677433 /nfs/dbraw/zinc/67/74/33/821677433.db2.gz WAOOZIYCRJPAOG-QGZVFWFLSA-N 0 0 389.839 4.032 20 5 GIBDRN CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000044999339 821687355 /nfs/dbraw/zinc/68/73/55/821687355.db2.gz DRRLMSHZDGKQCX-FZKQIMNGSA-N 0 0 398.488 4.465 20 5 GIBDRN Cc1cc2c(cc1NC(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)OCO2 ZINC000181350855 821779865 /nfs/dbraw/zinc/77/98/65/821779865.db2.gz NCHRRHAWQPMUTQ-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181368326 821791814 /nfs/dbraw/zinc/79/18/14/821791814.db2.gz NBMIHKJBUKEFCH-CQSZACIVSA-N 0 0 386.452 4.036 20 5 GIBDRN CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccc(C)n2)cc1[N+](=O)[O-] ZINC000181402309 821807918 /nfs/dbraw/zinc/80/79/18/821807918.db2.gz OMXKYQIHLDMLMX-INIZCTEOSA-N 0 0 380.448 4.338 20 5 GIBDRN O=C(Nc1ncccc1-c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181419774 821816975 /nfs/dbraw/zinc/81/69/75/821816975.db2.gz GNMSDYWWCHLSLF-UHFFFAOYSA-N 0 0 385.383 4.095 20 5 GIBDRN COc1ccccc1[C@H](CC(C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181519270 821864474 /nfs/dbraw/zinc/86/44/74/821864474.db2.gz OSPXRSLEQJYLRM-ZDUSSCGKSA-N 0 0 398.506 4.268 20 5 GIBDRN CCN(CC)C(=O)CCC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000181803521 821999412 /nfs/dbraw/zinc/99/94/12/821999412.db2.gz SMWDDRABCAVVTK-UHFFFAOYSA-N 0 0 384.480 4.008 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccncc1 ZINC000182003105 822059274 /nfs/dbraw/zinc/05/92/74/822059274.db2.gz PVCGAPFUPFRHOW-CQSZACIVSA-N 0 0 377.853 4.099 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000182079692 822085194 /nfs/dbraw/zinc/08/51/94/822085194.db2.gz LBOHCSCNBXPVBL-BZNIZROVSA-N 0 0 379.338 4.232 20 5 GIBDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182158858 822123007 /nfs/dbraw/zinc/12/30/07/822123007.db2.gz RNMIZPBJECXYOY-FZKQIMNGSA-N 0 0 394.456 4.337 20 5 GIBDRN Cc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c(C)n1 ZINC000182158264 822123272 /nfs/dbraw/zinc/12/32/72/822123272.db2.gz BBEWAIOUTQVZLT-UHFFFAOYSA-N 0 0 386.458 4.467 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000182179560 822135241 /nfs/dbraw/zinc/13/52/41/822135241.db2.gz KSJCWWHYRVWILV-HNNXBMFYSA-N 0 0 391.214 4.144 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000182305931 822195784 /nfs/dbraw/zinc/19/57/84/822195784.db2.gz BVHPZPRPPVMEMT-UHFFFAOYSA-N 0 0 376.463 4.201 20 5 GIBDRN CC(C)c1ccccc1OC[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000182307065 822196749 /nfs/dbraw/zinc/19/67/49/822196749.db2.gz JDBWCBXYBUEJEZ-KRWDZBQOSA-N 0 0 381.432 4.022 20 5 GIBDRN CCN(CC)C(=O)COc1cccc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000182309000 822197755 /nfs/dbraw/zinc/19/77/55/822197755.db2.gz MRIGZTWODFBGEA-INIZCTEOSA-N 0 0 385.464 4.324 20 5 GIBDRN O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000182389997 822225742 /nfs/dbraw/zinc/22/57/42/822225742.db2.gz AYYHMILMZCHUBH-NSHDSACASA-N 0 0 382.216 4.240 20 5 GIBDRN Cc1cc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)ccc1[N+](=O)[O-] ZINC000182429362 822240066 /nfs/dbraw/zinc/24/00/66/822240066.db2.gz BDBBZPQBBRPDBA-UHFFFAOYSA-N 0 0 384.367 4.054 20 5 GIBDRN Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)ccc1[N+](=O)[O-] ZINC000182436899 822242094 /nfs/dbraw/zinc/24/20/94/822242094.db2.gz NOWZPOCMHMDUKM-UHFFFAOYSA-N 0 0 375.812 4.403 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182462623 822252280 /nfs/dbraw/zinc/25/22/80/822252280.db2.gz DYORHEQWFSHLSG-GFCCVEGCSA-N 0 0 382.395 4.279 20 5 GIBDRN Cc1cnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)s1 ZINC000177945427 822252635 /nfs/dbraw/zinc/25/26/35/822252635.db2.gz XGNMMFQIJOKXIT-AWEZNQCLSA-N 0 0 388.493 4.087 20 5 GIBDRN Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccc(F)cc2)n1 ZINC000182471175 822255977 /nfs/dbraw/zinc/25/59/77/822255977.db2.gz WNGBBKQBKIXBAU-GFCCVEGCSA-N 0 0 386.358 4.109 20 5 GIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182482291 822259660 /nfs/dbraw/zinc/25/96/60/822259660.db2.gz VNTZXPLKGRDYSV-QFBILLFUSA-N 0 0 397.818 4.056 20 5 GIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182496994 822267792 /nfs/dbraw/zinc/26/77/92/822267792.db2.gz OOKGKFQSIUOGSJ-GDBMZVCRSA-N 0 0 381.215 4.162 20 5 GIBDRN O=C1OC(c2cccnc2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000178014562 822283029 /nfs/dbraw/zinc/28/30/29/822283029.db2.gz JJVTZBXYZHORBC-YBEGLDIGSA-N 0 0 377.381 4.063 20 5 GIBDRN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538306 822290435 /nfs/dbraw/zinc/29/04/35/822290435.db2.gz SVXGSDXVHYSZIM-CHWSQXEVSA-N 0 0 395.419 4.015 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000178061620 822305184 /nfs/dbraw/zinc/30/51/84/822305184.db2.gz SINWOSVLGRDEMA-SNVBAGLBSA-N 0 0 396.230 4.026 20 5 GIBDRN CCN(CC)C(=O)CCC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182568069 822306594 /nfs/dbraw/zinc/30/65/94/822306594.db2.gz RCSPPNYITYLSGY-UHFFFAOYSA-N 0 0 381.904 4.109 20 5 GIBDRN Cc1cccc([C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000178094740 822316993 /nfs/dbraw/zinc/31/69/93/822316993.db2.gz FIRMFBOXJCXCMP-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000182629010 822329882 /nfs/dbraw/zinc/32/98/82/822329882.db2.gz HDKOWEGLZTZJAD-AWEZNQCLSA-N 0 0 382.395 4.279 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCOc2ccc(F)cc21 ZINC000182656922 822341301 /nfs/dbraw/zinc/34/13/01/822341301.db2.gz LZSWGFIVBBJJBK-ZDUSSCGKSA-N 0 0 396.827 4.119 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCOc2ccc(F)cc21 ZINC000182656900 822341423 /nfs/dbraw/zinc/34/14/23/822341423.db2.gz LZSWGFIVBBJJBK-CYBMUJFWSA-N 0 0 396.827 4.119 20 5 GIBDRN CCOc1ccccc1Oc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cn1 ZINC000178177106 822343451 /nfs/dbraw/zinc/34/34/51/822343451.db2.gz QGMFSRYWUPRUQI-UHFFFAOYSA-N 0 0 380.404 4.496 20 5 GIBDRN CCc1ccc(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)cc1[N+](=O)[O-] ZINC000178217483 822354709 /nfs/dbraw/zinc/35/47/09/822354709.db2.gz SCKXAPSACIPLND-UHFFFAOYSA-N 0 0 388.424 4.111 20 5 GIBDRN NC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000045079130 822361519 /nfs/dbraw/zinc/36/15/19/822361519.db2.gz PZSSPXFDTBNMQU-UHFFFAOYSA-N 0 0 392.371 4.130 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000182757803 822363185 /nfs/dbraw/zinc/36/31/85/822363185.db2.gz VXBYPRKNADPNQC-INIZCTEOSA-N 0 0 388.292 4.225 20 5 GIBDRN CN(CCCc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178290033 822363896 /nfs/dbraw/zinc/36/38/96/822363896.db2.gz QWAOCOQLVHVOFB-UHFFFAOYSA-N 0 0 377.238 4.062 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1 ZINC000045173355 822367900 /nfs/dbraw/zinc/36/79/00/822367900.db2.gz PXBHVXFIMGMDCB-LLVKDONJSA-N 0 0 395.278 4.154 20 5 GIBDRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000045197067 822369859 /nfs/dbraw/zinc/36/98/59/822369859.db2.gz DAIQWNIWPTZTAB-UHFFFAOYSA-N 0 0 375.222 4.162 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045233653 822371867 /nfs/dbraw/zinc/37/18/67/822371867.db2.gz UTAWSOAOCSIJNZ-OAHLLOKOSA-N 0 0 375.425 4.112 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000182839144 822376032 /nfs/dbraw/zinc/37/60/32/822376032.db2.gz GMULVSLFBUQPTR-HNNXBMFYSA-N 0 0 376.409 4.100 20 5 GIBDRN COc1cc(CSCc2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182838684 822376073 /nfs/dbraw/zinc/37/60/73/822376073.db2.gz QTUQYIVJAKGQJE-UHFFFAOYSA-N 0 0 390.433 4.446 20 5 GIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000045307962 822377993 /nfs/dbraw/zinc/37/79/93/822377993.db2.gz MORSOAJDCSNWOK-UHFFFAOYSA-N 0 0 392.820 4.018 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000178501624 822385625 /nfs/dbraw/zinc/38/56/25/822385625.db2.gz DAENZQXCHFKBMD-QGZVFWFLSA-N 0 0 375.469 4.007 20 5 GIBDRN CC1CCC(N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C2CC2)CC1 ZINC000045415477 822386342 /nfs/dbraw/zinc/38/63/42/822386342.db2.gz HEJHZBURVZCNNX-UHFFFAOYSA-N 0 0 385.508 4.381 20 5 GIBDRN CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000045418832 822386799 /nfs/dbraw/zinc/38/67/99/822386799.db2.gz UWMJZHVNJYWYLV-AWEZNQCLSA-N 0 0 378.812 4.147 20 5 GIBDRN COc1cccc([C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCO2)c1 ZINC000178543700 822390187 /nfs/dbraw/zinc/39/01/87/822390187.db2.gz HLFRQGDWBOIJBG-QGZVFWFLSA-N 0 0 398.440 4.032 20 5 GIBDRN Cc1ccc([C@@H](C)N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000178683704 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393.222 4.061 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)NCc3ccoc3)cc2[N+](=O)[O-])n1 ZINC000045835608 822417878 /nfs/dbraw/zinc/41/78/78/822417878.db2.gz JYMYOJSSLGJDSP-UHFFFAOYSA-N 0 0 375.431 4.034 20 5 GIBDRN O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178901480 822420266 /nfs/dbraw/zinc/42/02/66/822420266.db2.gz JCQDITAZUUCISM-GWCFXTLKSA-N 0 0 375.324 4.076 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)Cc2ccccc2C(F)(F)F)cc1 ZINC000179001602 822428319 /nfs/dbraw/zinc/42/83/19/822428319.db2.gz ULVMULOSXSPFAI-MRXNPFEDSA-N 0 0 391.349 4.081 20 5 GIBDRN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000179010195 822429701 /nfs/dbraw/zinc/42/97/01/822429701.db2.gz NQSCPDQVAUANFY-UHFFFAOYSA-N 0 0 388.367 4.056 20 5 GIBDRN CCOc1cccc(NCc2cccc(COC3CCOCC3)c2)c1[N+](=O)[O-] ZINC000183149929 822431648 /nfs/dbraw/zinc/43/16/48/822431648.db2.gz QBVFEPYXETZAFU-UHFFFAOYSA-N 0 0 386.448 4.301 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000045998184 822432410 /nfs/dbraw/zinc/43/24/10/822432410.db2.gz WPGLDPFMWCLLIO-UHFFFAOYSA-N 0 0 388.326 4.375 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000454142580 822432858 /nfs/dbraw/zinc/43/28/58/822432858.db2.gz YSJXUNQLQNEBBN-KRWDZBQOSA-N 0 0 395.419 4.239 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000046002387 822433372 /nfs/dbraw/zinc/43/33/72/822433372.db2.gz IJZUWIFILHILJV-UHFFFAOYSA-N 0 0 375.384 4.028 20 5 GIBDRN O=C(NCc1nc2ccccc2s1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454183303 822436501 /nfs/dbraw/zinc/43/65/01/822436501.db2.gz HRKJMOUDSQWPEX-OAHLLOKOSA-N 0 0 396.472 4.294 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000179111263 822439306 /nfs/dbraw/zinc/43/93/06/822439306.db2.gz DJNHXNMGUWSPRR-ZDUSSCGKSA-N 0 0 376.482 4.386 20 5 GIBDRN C[C@H](C(=O)N(C)c1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000183195965 822439641 /nfs/dbraw/zinc/43/96/41/822439641.db2.gz DOZGOYUMLGPZHH-VIFPVBQESA-N 0 0 399.191 4.402 20 5 GIBDRN CC(C)N(CCc1nccs1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183201455 822440498 /nfs/dbraw/zinc/44/04/98/822440498.db2.gz PZPPMVJQLQVVCI-UHFFFAOYSA-N 0 0 399.925 4.277 20 5 GIBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccccc2[N+](=O)[O-])s1 ZINC000046136126 822443625 /nfs/dbraw/zinc/44/36/25/822443625.db2.gz JVQYJTBHSJAANI-UHFFFAOYSA-N 0 0 381.457 4.194 20 5 GIBDRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147928 822444236 /nfs/dbraw/zinc/44/42/36/822444236.db2.gz UYZTUWSVDROFGD-UHFFFAOYSA-N 0 0 389.770 4.281 20 5 GIBDRN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CCO1 ZINC000183245470 822447688 /nfs/dbraw/zinc/44/76/88/822447688.db2.gz UGOJARVUXPKOQU-UKRRQHHQSA-N 0 0 375.450 4.170 20 5 GIBDRN COc1ccc(CSCC(=O)N2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000046185912 822448041 /nfs/dbraw/zinc/44/80/41/822448041.db2.gz RALQMDSEXZLNDK-KRWDZBQOSA-N 0 0 386.473 4.200 20 5 GIBDRN CCOc1ccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000454289797 822452036 /nfs/dbraw/zinc/45/20/36/822452036.db2.gz LRENVVGDHJVJMQ-MRXNPFEDSA-N 0 0 399.447 4.414 20 5 GIBDRN CCOc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000046268193 822457248 /nfs/dbraw/zinc/45/72/48/822457248.db2.gz XEOKFQVJDXKAIZ-UHFFFAOYSA-N 0 0 394.374 4.176 20 5 GIBDRN O=C(Nc1ccc(-c2ncon2)cc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454328745 822458602 /nfs/dbraw/zinc/45/86/02/822458602.db2.gz ZHLZHOCGEQRSSM-MRXNPFEDSA-N 0 0 393.403 4.056 20 5 GIBDRN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179268359 822459323 /nfs/dbraw/zinc/45/93/23/822459323.db2.gz AGFSWKOHCFUUTG-INIZCTEOSA-N 0 0 386.795 4.228 20 5 GIBDRN Cc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] ZINC000046307893 822459915 /nfs/dbraw/zinc/45/99/15/822459915.db2.gz ZWDCIQVYPNHARJ-UHFFFAOYSA-N 0 0 381.363 4.160 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000179289117 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COCCn1ccc2ccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc21 ZINC000455084185 822587229 /nfs/dbraw/zinc/58/72/29/822587229.db2.gz VYGINPRSRSYTRX-UHFFFAOYSA-N 0 0 396.447 4.253 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000455088797 822587631 /nfs/dbraw/zinc/58/76/31/822587631.db2.gz BFGKHPCLAASJAN-IGNZVWTISA-N 0 0 389.839 4.139 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000455088799 822587640 /nfs/dbraw/zinc/58/76/40/822587640.db2.gz BFGKHPCLAASJAN-RZAIGCCYSA-N 0 0 389.839 4.139 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000047529203 822587699 /nfs/dbraw/zinc/58/76/99/822587699.db2.gz RAFRIXSVISFJLT-UHFFFAOYSA-N 0 0 382.332 4.082 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455092293 822587925 /nfs/dbraw/zinc/58/79/25/822587925.db2.gz KKLPOPVMSMLREZ-SCLBCKFNSA-N 0 0 389.839 4.092 20 5 GIBDRN 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ZINC000455105450 822589632 /nfs/dbraw/zinc/58/96/32/822589632.db2.gz SSZRYCMFDMUDTK-UHFFFAOYSA-N 0 0 382.342 4.108 20 5 GIBDRN CC1(CC(F)(F)F)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000455108276 822589997 /nfs/dbraw/zinc/58/99/97/822589997.db2.gz XCYZGZNICMUDFK-UHFFFAOYSA-N 0 0 385.264 4.420 20 5 GIBDRN C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000455122020 822592150 /nfs/dbraw/zinc/59/21/50/822592150.db2.gz WYTSSRQDVOSNDD-GFCCVEGCSA-N 0 0 379.819 4.332 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000184188174 822592935 /nfs/dbraw/zinc/59/29/35/822592935.db2.gz NRZCBDRDQIOVGV-PWSUYJOCSA-N 0 0 379.457 4.384 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000455175724 822602111 /nfs/dbraw/zinc/60/21/11/822602111.db2.gz WTXLQTDRGSDGPB-MRXNPFEDSA-N 0 0 375.812 4.242 20 5 GIBDRN C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180048476 822604220 /nfs/dbraw/zinc/60/42/20/822604220.db2.gz GIJYCINDXKJKBD-ZDUSSCGKSA-N 0 0 377.828 4.053 20 5 GIBDRN C[C@H](C1CC1)n1nccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455189903 822604559 /nfs/dbraw/zinc/60/45/59/822604559.db2.gz JXWVNYQIGOGVAO-RHSMWYFYSA-N 0 0 383.452 4.174 20 5 GIBDRN C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nccs1 ZINC000184288086 822609200 /nfs/dbraw/zinc/60/92/00/822609200.db2.gz PTFGBUMFCLLCIV-CYBMUJFWSA-N 0 0 382.445 4.328 20 5 GIBDRN C[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000184289212 822609418 /nfs/dbraw/zinc/60/94/18/822609418.db2.gz PIZHBHCPLPJFPD-LBPRGKRZSA-N 0 0 382.351 4.058 20 5 GIBDRN COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000455217711 822610639 /nfs/dbraw/zinc/61/06/39/822610639.db2.gz XRSYGIDQZNILMP-MEDUHNTESA-N 0 0 397.353 4.267 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CC2 ZINC000455250344 822617682 /nfs/dbraw/zinc/61/76/82/822617682.db2.gz RKUGIAIRDRLGOE-UHFFFAOYSA-N 0 0 389.839 4.464 20 5 GIBDRN CNc1nc(C(=O)N2CCC(c3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000455251080 822617904 /nfs/dbraw/zinc/61/79/04/822617904.db2.gz YDVHELQCUKIXEB-UHFFFAOYSA-N 0 0 390.443 4.205 20 5 GIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000180128297 822621451 /nfs/dbraw/zinc/62/14/51/822621451.db2.gz YROITLYNAMOURW-UHFFFAOYSA-N 0 0 384.461 4.046 20 5 GIBDRN COc1cc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000184357494 822621581 /nfs/dbraw/zinc/62/15/81/822621581.db2.gz TUJAVSZXAIUSFU-HNNXBMFYSA-N 0 0 394.271 4.414 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000180146396 822626292 /nfs/dbraw/zinc/62/62/92/822626292.db2.gz XOELKFPXDGBUHZ-CQSZACIVSA-N 0 0 386.429 4.234 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000180146681 822626519 /nfs/dbraw/zinc/62/65/19/822626519.db2.gz CVFQCSWJSLYHLO-UHFFFAOYSA-N 0 0 384.417 4.398 20 5 GIBDRN COc1ccc(CS(=O)(=O)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000180152780 822627775 /nfs/dbraw/zinc/62/77/75/822627775.db2.gz IQXVQXOTMJRVOM-LBPRGKRZSA-N 0 0 383.853 4.241 20 5 GIBDRN COc1cc(CN[C@@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])cc1F ZINC000184408429 822629607 /nfs/dbraw/zinc/62/96/07/822629607.db2.gz NXBVSOIZZDLPNO-NSHDSACASA-N 0 0 378.404 4.024 20 5 GIBDRN COc1cc(CN[C@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])cc1F ZINC000184408450 822629680 /nfs/dbraw/zinc/62/96/80/822629680.db2.gz NXBVSOIZZDLPNO-LLVKDONJSA-N 0 0 378.404 4.024 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000180170656 822631793 /nfs/dbraw/zinc/63/17/93/822631793.db2.gz HAAKLVRLKFBZQY-UHFFFAOYSA-N 0 0 380.495 4.497 20 5 GIBDRN COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1Br ZINC000184423149 822632437 /nfs/dbraw/zinc/63/24/37/822632437.db2.gz GQDONWGUKHARHB-VIFPVBQESA-N 0 0 397.200 4.247 20 5 GIBDRN Cc1cc(OC(C)C)ccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048122319 822635579 /nfs/dbraw/zinc/63/55/79/822635579.db2.gz YQNUPFBCQZJRLR-UHFFFAOYSA-N 0 0 398.463 4.045 20 5 GIBDRN COc1cccc(F)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000184444001 822636167 /nfs/dbraw/zinc/63/61/67/822636167.db2.gz ZNHYCJSTRSQDOK-UHFFFAOYSA-N 0 0 387.411 4.231 20 5 GIBDRN Cc1c(NC(=O)NC[C@H]2CCCC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000455357856 822639692 /nfs/dbraw/zinc/63/96/92/822639692.db2.gz RUDXCKAPDBKSJT-SECBINFHSA-N 0 0 392.200 4.223 20 5 GIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184468980 822641342 /nfs/dbraw/zinc/64/13/42/822641342.db2.gz CMCAKUICKNCGAU-NWDGAFQWSA-N 0 0 376.482 4.027 20 5 GIBDRN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184494104 822645188 /nfs/dbraw/zinc/64/51/88/822645188.db2.gz QKCXXEZBPVZGEU-NEPJUHHUSA-N 0 0 376.482 4.027 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000180236122 822645644 /nfs/dbraw/zinc/64/56/44/822645644.db2.gz FKECJRMPOODQHU-KSSFIOAISA-N 0 0 380.510 4.276 20 5 GIBDRN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184500833 822646296 /nfs/dbraw/zinc/64/62/96/822646296.db2.gz MKFUHUQAPDBBGK-JTQLQIEISA-N 0 0 396.900 4.292 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000455401075 822646987 /nfs/dbraw/zinc/64/69/87/822646987.db2.gz DELDSELKFHCWNT-KYJSFNMBSA-N 0 0 375.469 4.050 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Cl)cn2n1 ZINC000180262029 822650316 /nfs/dbraw/zinc/65/03/16/822650316.db2.gz USBRPCCMSKILGL-UHFFFAOYSA-N 0 0 391.840 4.044 20 5 GIBDRN CC[C@H](C)c1ccc([C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)c2cccs2)cc1 ZINC000048272279 822650483 /nfs/dbraw/zinc/65/04/83/822650483.db2.gz RLTPGLYXPPFNDC-XOBRGWDASA-N 0 0 398.488 4.272 20 5 GIBDRN CCOc1ccc([C@@H](C)Nc2cccc(NC(=O)[C@@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000180267799 822651362 /nfs/dbraw/zinc/65/13/62/822651362.db2.gz BJRXOQRDBNTVNZ-ZIAGYGMSSA-N 0 0 387.436 4.140 20 5 GIBDRN Cc1cccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)c1[N+](=O)[O-] ZINC000048291509 822651879 /nfs/dbraw/zinc/65/18/79/822651879.db2.gz CGROWSUENAJYND-UHFFFAOYSA-N 0 0 392.459 4.009 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000048316316 822653025 /nfs/dbraw/zinc/65/30/25/822653025.db2.gz JERCHDTUBIUYHX-MRXNPFEDSA-N 0 0 395.415 4.071 20 5 GIBDRN COc1ccccc1CCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180283751 822655111 /nfs/dbraw/zinc/65/51/11/822655111.db2.gz LGWMVXCGJITDTO-UHFFFAOYSA-N 0 0 397.456 4.323 20 5 GIBDRN COc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000180287931 822655972 /nfs/dbraw/zinc/65/59/72/822655972.db2.gz ANAZRHNLSHTMDR-UHFFFAOYSA-N 0 0 399.428 4.012 20 5 GIBDRN Cc1ccnn1-c1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000184556125 822656673 /nfs/dbraw/zinc/65/66/73/822656673.db2.gz SFQFITKKHFVHHX-UHFFFAOYSA-N 0 0 391.431 4.285 20 5 GIBDRN C[C@@H]1CC[C@@H](CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)O1 ZINC000180295068 822658021 /nfs/dbraw/zinc/65/80/21/822658021.db2.gz QTBMRGCNOGRCEH-OLZOCXBDSA-N 0 0 375.450 4.029 20 5 GIBDRN CC(C)Oc1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)n1 ZINC000180299560 822659230 /nfs/dbraw/zinc/65/92/30/822659230.db2.gz JELIEUFYQMPYNI-UHFFFAOYSA-N 0 0 398.444 4.177 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184579553 822660730 /nfs/dbraw/zinc/66/07/30/822660730.db2.gz RZCIYPQBLSNRKM-OAQYLSRUSA-N 0 0 398.438 4.134 20 5 GIBDRN CC(C)(C)c1csc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000184585943 822661758 /nfs/dbraw/zinc/66/17/58/822661758.db2.gz RACWFTSNQZAXFB-UHFFFAOYSA-N 0 0 382.873 4.002 20 5 GIBDRN Cc1csc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)n1 ZINC000180347406 822667496 /nfs/dbraw/zinc/66/74/96/822667496.db2.gz ZQRKILCKDVVLID-ZDUSSCGKSA-N 0 0 396.266 4.003 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCOc2c(Br)cccc21 ZINC000180412867 822677438 /nfs/dbraw/zinc/67/74/38/822677438.db2.gz MZBYBBJTCNUFMK-OAHLLOKOSA-N 0 0 377.238 4.361 20 5 GIBDRN CCN1C(=O)CCc2cc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000184704076 822679217 /nfs/dbraw/zinc/67/92/17/822679217.db2.gz QVVVVENZTYSRTP-CQSZACIVSA-N 0 0 396.447 4.085 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000048734894 822680015 /nfs/dbraw/zinc/68/00/15/822680015.db2.gz KFNHFUXPPXHICP-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN Cc1sc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000180451151 822684619 /nfs/dbraw/zinc/68/46/19/822684619.db2.gz UJMBSXGTHAJNHF-GHMZBOCLSA-N 0 0 375.450 4.169 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000184762790 822687682 /nfs/dbraw/zinc/68/76/82/822687682.db2.gz HXAHXAUWWKZHQJ-CQSZACIVSA-N 0 0 375.494 4.234 20 5 GIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180487309 822689961 /nfs/dbraw/zinc/68/99/61/822689961.db2.gz FLCYTKAFYXKSIR-UHFFFAOYSA-N 0 0 395.459 4.317 20 5 GIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180508093 822693341 /nfs/dbraw/zinc/69/33/41/822693341.db2.gz 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CCOc1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)cc1[N+](=O)[O-] ZINC000185776521 822820265 /nfs/dbraw/zinc/82/02/65/822820265.db2.gz PTLLAXPBFUNCPP-UHFFFAOYSA-N 0 0 380.322 4.215 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cnn(CC)c1 ZINC000456686225 822822557 /nfs/dbraw/zinc/82/25/57/822822557.db2.gz BEWSHYSKTDUSTP-CYBMUJFWSA-N 0 0 376.482 4.194 20 5 GIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000174693455 822824194 /nfs/dbraw/zinc/82/41/94/822824194.db2.gz BYRPITREMDABNM-DJJJIMSYSA-N 0 0 390.386 4.092 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C2SCCCS2)cc1 ZINC000053217372 822826435 /nfs/dbraw/zinc/82/64/35/822826435.db2.gz LZNHTLDHFKWKHJ-UHFFFAOYSA-N 0 0 388.514 4.436 20 5 GIBDRN CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(C(F)(F)F)cs1 ZINC000185942159 822835728 /nfs/dbraw/zinc/83/57/28/822835728.db2.gz NBDBYHFFNDYHTJ-SECBINFHSA-N 0 0 386.355 4.452 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185957467 822837213 /nfs/dbraw/zinc/83/72/13/822837213.db2.gz DGHVIQPDOHHXCX-QGZVFWFLSA-N 0 0 395.242 4.044 20 5 GIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@]2(CCSC2)C1 ZINC000456847781 822837819 /nfs/dbraw/zinc/83/78/19/822837819.db2.gz UUBAVMDIZIWFJV-JOCHJYFZSA-N 0 0 378.497 4.041 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456851003 822838073 /nfs/dbraw/zinc/83/80/73/822838073.db2.gz WRZCMULPEYVMNL-QGZVFWFLSA-N 0 0 380.778 4.433 20 5 GIBDRN CNC(=O)c1ccc(Nc2ccc(OC)c(OC3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000053557758 822840953 /nfs/dbraw/zinc/84/09/53/822840953.db2.gz YHNNQVDQKHAGEZ-UHFFFAOYSA-N 0 0 385.420 4.028 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000053571635 822841109 /nfs/dbraw/zinc/84/11/09/822841109.db2.gz JRRZZDDVTHOJSI-GOSISDBHSA-N 0 0 384.432 4.044 20 5 GIBDRN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1F ZINC000053599781 822842215 /nfs/dbraw/zinc/84/22/15/822842215.db2.gz GWAZXDJVPNJFOB-IBGZPJMESA-N 0 0 377.379 4.217 20 5 GIBDRN CCOc1ccc(C(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)cc1[N+](=O)[O-] ZINC000456940486 822843195 /nfs/dbraw/zinc/84/31/95/822843195.db2.gz ICOKWPBKURIFLL-QAQDUYKDSA-N 0 0 384.432 4.020 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1ccco1 ZINC000186008242 822843408 /nfs/dbraw/zinc/84/34/08/822843408.db2.gz NQPZSLAEMRANEV-UHFFFAOYSA-N 0 0 389.795 4.346 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000053723334 822846377 /nfs/dbraw/zinc/84/63/77/822846377.db2.gz NGROAZDLTYOLJB-UHFFFAOYSA-N 0 0 375.388 4.131 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000053777951 822847770 /nfs/dbraw/zinc/84/77/70/822847770.db2.gz OAQFXIHTIYGWOT-UHFFFAOYSA-N 0 0 386.473 4.138 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccccc2Br)c1[N+](=O)[O-] ZINC000186084818 822850322 /nfs/dbraw/zinc/85/03/22/822850322.db2.gz HVHMPAFCZGQOQZ-UHFFFAOYSA-N 0 0 381.251 4.009 20 5 GIBDRN Cc1ccc(-c2nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000053848685 822850635 /nfs/dbraw/zinc/85/06/35/822850635.db2.gz ANARXHUZDKVNOQ-UHFFFAOYSA-N 0 0 398.444 4.017 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 ZINC000053896481 822852254 /nfs/dbraw/zinc/85/22/54/822852254.db2.gz CEDFGKUSXHCIAU-UHFFFAOYSA-N 0 0 394.456 4.243 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1[N+](=O)[O-] ZINC000186128527 822854016 /nfs/dbraw/zinc/85/40/16/822854016.db2.gz FGMPFFWDLKSGND-UHFFFAOYSA-N 0 0 380.429 4.334 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)OCCc2ccccc23)c1 ZINC000457110259 822854091 /nfs/dbraw/zinc/85/40/91/822854091.db2.gz FJYPTXRALAPFNJ-UHFFFAOYSA-N 0 0 398.484 4.021 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000186129306 822854155 /nfs/dbraw/zinc/85/41/55/822854155.db2.gz GQTBCZUVOXKWHP-UHFFFAOYSA-N 0 0 388.371 4.020 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000186147788 822855709 /nfs/dbraw/zinc/85/57/09/822855709.db2.gz NJLWUOUAICHCNI-UHFFFAOYSA-N 0 0 399.472 4.113 20 5 GIBDRN Cc1c(Br)cc(C(=O)N2CC(C)(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000457130386 822856076 /nfs/dbraw/zinc/85/60/76/822856076.db2.gz YVURAHZQKUFUOG-UHFFFAOYSA-N 0 0 395.175 4.080 20 5 GIBDRN CSc1cccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)c1[N+](=O)[O-] ZINC000457139480 822856586 /nfs/dbraw/zinc/85/65/86/822856586.db2.gz NEIFKWOBIWSTGY-UHFFFAOYSA-N 0 0 398.484 4.021 20 5 GIBDRN Cc1cccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000054005428 822856900 /nfs/dbraw/zinc/85/69/00/822856900.db2.gz DYCFHPFGOKIZPW-KRWDZBQOSA-N 0 0 385.420 4.108 20 5 GIBDRN CCOc1cc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000457157837 822857932 /nfs/dbraw/zinc/85/79/32/822857932.db2.gz DIJWOHMCBYNGBG-GOSISDBHSA-N 0 0 376.453 4.043 20 5 GIBDRN CC(C)[C@H]1N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC000457158372 822857983 /nfs/dbraw/zinc/85/79/83/822857983.db2.gz FNNCTOITBIXPLE-LJQANCHMSA-N 0 0 382.464 4.036 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000457210563 822860859 /nfs/dbraw/zinc/86/08/59/822860859.db2.gz DGRMCOQKGOOZDM-SPLOXXLWSA-N 0 0 394.475 4.471 20 5 GIBDRN COc1cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000457264525 822862645 /nfs/dbraw/zinc/86/26/45/822862645.db2.gz BIILUWMGLXRZNZ-HXUWFJFHSA-N 0 0 396.443 4.370 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000186262911 822866694 /nfs/dbraw/zinc/86/66/94/822866694.db2.gz YVTPYRSFLKRCBO-UHFFFAOYSA-N 0 0 378.432 4.135 20 5 GIBDRN C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2c(O)cccc21 ZINC000186266634 822867136 /nfs/dbraw/zinc/86/71/36/822867136.db2.gz XHAWEWICFNCTKT-MRXNPFEDSA-N 0 0 398.462 4.401 20 5 GIBDRN CCC(C)(C)OCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000457359544 822870245 /nfs/dbraw/zinc/87/02/45/822870245.db2.gz PHWLXXNTJZVCBC-UHFFFAOYSA-N 0 0 386.448 4.109 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000054235910 822870384 /nfs/dbraw/zinc/87/03/84/822870384.db2.gz QOLSMBRMLWGOMV-UHFFFAOYSA-N 0 0 387.392 4.428 20 5 GIBDRN O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000054245525 822870462 /nfs/dbraw/zinc/87/04/62/822870462.db2.gz WMPYDCVEALVABK-UHFFFAOYSA-N 0 0 390.374 4.453 20 5 GIBDRN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000054271016 822872109 /nfs/dbraw/zinc/87/21/09/822872109.db2.gz PZZTXEUPGAYXII-CYBMUJFWSA-N 0 0 399.472 4.013 20 5 GIBDRN CC[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000569047158 822873288 /nfs/dbraw/zinc/87/32/88/822873288.db2.gz RNGHUAKIMNHYNQ-QGZVFWFLSA-N 0 0 389.839 4.304 20 5 GIBDRN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186302131 822873415 /nfs/dbraw/zinc/87/34/15/822873415.db2.gz URONXXNVHPDGBD-UHFFFAOYSA-N 0 0 391.836 4.132 20 5 GIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000569053547 822874412 /nfs/dbraw/zinc/87/44/12/822874412.db2.gz MCFIIEWFDUCDNN-HNNXBMFYSA-N 0 0 398.459 4.081 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000054355335 822878040 /nfs/dbraw/zinc/87/80/40/822878040.db2.gz NWJQPBWTUDGQAM-INIZCTEOSA-N 0 0 389.839 4.461 20 5 GIBDRN CSc1cccc(C(=O)NCc2sccc2Br)c1[N+](=O)[O-] ZINC000186343768 822878756 /nfs/dbraw/zinc/87/87/56/822878756.db2.gz ZKNHXJZJACLADU-UHFFFAOYSA-N 0 0 387.280 4.071 20 5 GIBDRN COc1ccc([C@@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1F ZINC000054368852 822879127 /nfs/dbraw/zinc/87/91/27/822879127.db2.gz AYMSNVNFRBSMKY-GFCCVEGCSA-N 0 0 375.400 4.054 20 5 GIBDRN Cn1cc(-c2noc(/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])s3)n2)cn1 ZINC000569135567 822882832 /nfs/dbraw/zinc/88/28/32/822882832.db2.gz AENWRZDSBNDTEX-CLFYSBASSA-N 0 0 379.401 4.277 20 5 GIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2csc([N+](=O)[O-])c2)c1 ZINC000054424424 822883700 /nfs/dbraw/zinc/88/37/00/822883700.db2.gz SAGUOJLUFYAOFM-GOSISDBHSA-N 0 0 381.413 4.436 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Sc2c(F)cc(F)cc2F)c([N+](=O)[O-])c1 ZINC000054486661 822890367 /nfs/dbraw/zinc/89/03/67/822890367.db2.gz FNGHBBSPWIAOQY-QMMMGPOBSA-N 0 0 386.351 4.140 20 5 GIBDRN COc1ccc(C(=O)CCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175151110 822892729 /nfs/dbraw/zinc/89/27/29/822892729.db2.gz UPYXZVLVYHYDEM-UHFFFAOYSA-N 0 0 384.432 4.008 20 5 GIBDRN C[C@@H](NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000054570250 822896212 /nfs/dbraw/zinc/89/62/12/822896212.db2.gz CXDHBRLJFABIPR-OXQOHEQNSA-N 0 0 383.448 4.047 20 5 GIBDRN Cc1ccccc1C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000054577552 822896622 /nfs/dbraw/zinc/89/66/22/822896622.db2.gz BWSSPEHQUPARDD-SFHVURJKSA-N 0 0 384.479 4.211 20 5 GIBDRN CCO[C@@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CCCC1 ZINC000175170328 822896998 /nfs/dbraw/zinc/89/69/98/822896998.db2.gz JOTOIQMZHNKGOJ-FQEVSTJZSA-N 0 0 389.496 4.228 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1[N+](=O)[O-] ZINC000186457698 822898718 /nfs/dbraw/zinc/89/87/18/822898718.db2.gz URELPBXPRRAQPB-GOSISDBHSA-N 0 0 379.441 4.231 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](c2nccs2)c2ccccc2)c1[N+](=O)[O-] ZINC000186458951 822899014 /nfs/dbraw/zinc/89/90/14/822899014.db2.gz JRJCDUOMLLXJQL-OAHLLOKOSA-N 0 0 385.470 4.293 20 5 GIBDRN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175203547 822903595 /nfs/dbraw/zinc/90/35/95/822903595.db2.gz GZRDCHBCDCIGEC-YVEFUNNKSA-N 0 0 394.349 4.216 20 5 GIBDRN O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000054775457 822911838 /nfs/dbraw/zinc/91/18/38/822911838.db2.gz ROFDGBLEJFGKPY-UHFFFAOYSA-N 0 0 379.319 4.388 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1[N+](=O)[O-] ZINC000186564032 822913857 /nfs/dbraw/zinc/91/38/57/822913857.db2.gz IKMZYQYEQUXZHX-UHFFFAOYSA-N 0 0 376.409 4.497 20 5 GIBDRN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccnc1 ZINC000175259272 822917167 /nfs/dbraw/zinc/91/71/67/822917167.db2.gz YIRJMCLWTRJDRE-HXUWFJFHSA-N 0 0 396.491 4.150 20 5 GIBDRN CSc1cccc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1[N+](=O)[O-] ZINC000186593499 822919743 /nfs/dbraw/zinc/91/97/43/822919743.db2.gz PPNXKUAXMDTXRM-LLVKDONJSA-N 0 0 380.853 4.167 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175278916 822922706 /nfs/dbraw/zinc/92/27/06/822922706.db2.gz IWVDOMYDUKWGHQ-GOSISDBHSA-N 0 0 396.468 4.283 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(c1ccccc1C)c1ccccc1C ZINC000186616050 822924114 /nfs/dbraw/zinc/92/41/14/822924114.db2.gz AWYGGTZIDHJANM-UHFFFAOYSA-N 0 0 392.459 4.012 20 5 GIBDRN CCCCc1nc(-c2ccc(Oc3ccc(C(=O)NC)cc3[N+](=O)[O-])cc2)no1 ZINC000054981919 822928081 /nfs/dbraw/zinc/92/80/81/822928081.db2.gz AWXDXNRMYXGMHC-UHFFFAOYSA-N 0 0 396.403 4.139 20 5 GIBDRN CCc1c(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cnn1CCC(C)C ZINC000569505276 822931039 /nfs/dbraw/zinc/93/10/39/822931039.db2.gz HYUQIBWFZFDUBY-UHFFFAOYSA-N 0 0 383.452 4.349 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000569510109 822931982 /nfs/dbraw/zinc/93/19/82/822931982.db2.gz NDFPNBDXPYUPSX-RDJZCZTQSA-N 0 0 377.448 4.081 20 5 GIBDRN O=C(NCc1noc2ccccc12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000569521287 822934107 /nfs/dbraw/zinc/93/41/07/822934107.db2.gz UMBYXNCLYOMEKM-UHFFFAOYSA-N 0 0 388.383 4.410 20 5 GIBDRN CCOc1cc(C(=O)Nc2cc(C)c(C)c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000175323897 822935402 /nfs/dbraw/zinc/93/54/02/822935402.db2.gz CJSLIUCIWWAFCY-UHFFFAOYSA-N 0 0 395.415 4.419 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000175327321 822936081 /nfs/dbraw/zinc/93/60/81/822936081.db2.gz CFAARSXLVDSVFS-GFCCVEGCSA-N 0 0 375.400 4.038 20 5 GIBDRN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000457939087 822940807 /nfs/dbraw/zinc/94/08/07/822940807.db2.gz DLRGJNKPDZHNCC-LBPRGKRZSA-N 0 0 390.461 4.133 20 5 GIBDRN COc1ccc(F)cc1[C@@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152647 822941441 /nfs/dbraw/zinc/94/14/41/822941441.db2.gz GFNCPLTXZPOFQP-GHMZBOCLSA-N 0 0 395.818 4.074 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(C)c(Br)cn2)c1[N+](=O)[O-] ZINC000186730759 822946555 /nfs/dbraw/zinc/94/65/55/822946555.db2.gz VFOWXTOKHOMHRD-UHFFFAOYSA-N 0 0 382.239 4.035 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cccc(Cl)c2C1 ZINC000458008214 822949951 /nfs/dbraw/zinc/94/99/51/822949951.db2.gz CIWPXIIDHFGYJN-UHFFFAOYSA-N 0 0 399.878 4.050 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CC1CC1)c1ccccc1 ZINC000175383003 822953479 /nfs/dbraw/zinc/95/34/79/822953479.db2.gz QOWDUDFLJLWGKC-UHFFFAOYSA-N 0 0 379.460 4.254 20 5 GIBDRN Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)o1 ZINC000458058907 822954482 /nfs/dbraw/zinc/95/44/82/822954482.db2.gz APEWPILAAPGTLK-UHFFFAOYSA-N 0 0 375.450 4.104 20 5 GIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458081519 822956356 /nfs/dbraw/zinc/95/63/56/822956356.db2.gz HPCXBBNXZHQQSP-RBUKOAKNSA-N 0 0 390.443 4.189 20 5 GIBDRN C[C@@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000175415494 822963535 /nfs/dbraw/zinc/96/35/35/822963535.db2.gz 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CC(C)Oc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000413337708 823755392 /nfs/dbraw/zinc/75/53/92/823755392.db2.gz LVXIHVOYAKCBTN-UHFFFAOYSA-N 0 0 387.411 4.374 20 5 GIBDRN COc1ccccc1C/C(C)=C/C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163879096 823756157 /nfs/dbraw/zinc/75/61/57/823756157.db2.gz DLDAETWBSSDSRR-DTQAZKPQSA-N 0 0 380.444 4.283 20 5 GIBDRN CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461929386 823761014 /nfs/dbraw/zinc/76/10/14/823761014.db2.gz SKPCACSZYITESC-KOLCDFICSA-N 0 0 382.180 4.310 20 5 GIBDRN CC(=O)c1cc(N2CCC[C@@H]2c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000413383266 823764622 /nfs/dbraw/zinc/76/46/22/823764622.db2.gz XJQVEWKPYMZDET-QGZVFWFLSA-N 0 0 390.237 4.296 20 5 GIBDRN O=C(N[C@H]1COc2ccc(Cl)cc21)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574559551 823766389 /nfs/dbraw/zinc/76/63/89/823766389.db2.gz YCNNGFPLXQCDLQ-NSHDSACASA-N 0 0 386.713 4.131 20 5 GIBDRN Cc1cc(N2CC[C@@H](n3cnc4c3CCCC4)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940567 823766576 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GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1F ZINC000413495920 823787517 /nfs/dbraw/zinc/78/75/17/823787517.db2.gz SSSBXCLXMVRJMR-INIZCTEOSA-N 0 0 390.411 4.330 20 5 GIBDRN CCN(Cc1occc1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000413502408 823788048 /nfs/dbraw/zinc/78/80/48/823788048.db2.gz QTTUALMXGVGBSK-UHFFFAOYSA-N 0 0 385.342 4.247 20 5 GIBDRN CSCC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000164244111 823789227 /nfs/dbraw/zinc/78/92/27/823789227.db2.gz MTBFDVCTOYPKGE-GDBMZVCRSA-N 0 0 385.493 4.091 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2C)c1C(C)C ZINC000191851083 823796288 /nfs/dbraw/zinc/79/62/88/823796288.db2.gz UQOSCJDSRYOHDD-UHFFFAOYSA-N 0 0 394.431 4.473 20 5 GIBDRN Cc1cc(N2CC3(CCOCC3)[C@H]2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413557152 823796813 /nfs/dbraw/zinc/79/68/13/823796813.db2.gz TYWGNJVNCWCQIV-LJQANCHMSA-N 0 0 382.464 4.002 20 5 GIBDRN COc1ccccc1[C@@H](C)N(C)C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350758 823799186 /nfs/dbraw/zinc/79/91/86/823799186.db2.gz COGANVYJPNCRBF-QGZVFWFLSA-N 0 0 399.491 4.033 20 5 GIBDRN CC[C@H](C)n1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000126159248 823802668 /nfs/dbraw/zinc/80/26/68/823802668.db2.gz VVFABBGAEFFOBG-HNNXBMFYSA-N 0 0 384.480 4.392 20 5 GIBDRN Cc1cccc2c1OCC[C@H]2NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000191892814 823805853 /nfs/dbraw/zinc/80/58/53/823805853.db2.gz WAFJIFRKHCOSMM-GOSISDBHSA-N 0 0 381.432 4.101 20 5 GIBDRN COc1ccc(N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C(C)C)cc1F ZINC000191892590 823805933 /nfs/dbraw/zinc/80/59/33/823805933.db2.gz SUFXRWYLEFSLGQ-UHFFFAOYSA-N 0 0 376.384 4.115 20 5 GIBDRN O=[N+]([O-])c1ccc(Cc2nc(-c3ccccc3-n3cccn3)no2)c(Cl)c1 ZINC000574732833 823813371 /nfs/dbraw/zinc/81/33/71/823813371.db2.gz UHLDSSLDLUZFGJ-UHFFFAOYSA-N 0 0 381.779 4.075 20 5 GIBDRN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064421185 823815479 /nfs/dbraw/zinc/81/54/79/823815479.db2.gz JSROLXZVYHXACR-ZIAGYGMSSA-N 0 0 376.840 4.071 20 5 GIBDRN CC(C)(C)c1ccncc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000413692165 823818317 /nfs/dbraw/zinc/81/83/17/823818317.db2.gz JDFGSHVSKVSOBU-UHFFFAOYSA-N 0 0 382.464 4.162 20 5 GIBDRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000164877016 823824229 /nfs/dbraw/zinc/82/42/29/823824229.db2.gz LKAQVUYIYAQUPK-AWEZNQCLSA-N 0 0 395.463 4.082 20 5 GIBDRN Cc1c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)sc2ccc1F ZINC000164898555 823824571 /nfs/dbraw/zinc/82/45/71/823824571.db2.gz NGWUSHDGDXKRDA-UHFFFAOYSA-N 0 0 390.352 4.121 20 5 GIBDRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000462096059 823826516 /nfs/dbraw/zinc/82/65/16/823826516.db2.gz GUXPYLLWHJKPDR-VIFPVBQESA-N 0 0 394.396 4.023 20 5 GIBDRN CC[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000413743964 823830532 /nfs/dbraw/zinc/83/05/32/823830532.db2.gz RJGLBYWFMLOCBR-DZGCQCFKSA-N 0 0 387.402 4.462 20 5 GIBDRN Cc1c(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)cccc1[N+](=O)[O-] ZINC000064519738 823834247 /nfs/dbraw/zinc/83/42/47/823834247.db2.gz OIDJMNGSRDHSJI-UHFFFAOYSA-N 0 0 384.436 4.210 20 5 GIBDRN C[C@H](C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000574825403 823835055 /nfs/dbraw/zinc/83/50/55/823835055.db2.gz KIQCWBFYOHFHPW-HNNXBMFYSA-N 0 0 384.432 4.073 20 5 GIBDRN O=C(NC1(c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)CCC1)c1ccccc1 ZINC000574842642 823839691 /nfs/dbraw/zinc/83/96/91/823839691.db2.gz CEQQGSIEYCASMI-UHFFFAOYSA-N 0 0 398.806 4.107 20 5 GIBDRN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000574849746 823842623 /nfs/dbraw/zinc/84/26/23/823842623.db2.gz DZOOFSJKENTMSA-HXUWFJFHSA-N 0 0 392.411 4.165 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000462162032 823849835 /nfs/dbraw/zinc/84/98/35/823849835.db2.gz ZLANMFKVYJOICS-FUHWJXTLSA-N 0 0 392.521 4.420 20 5 GIBDRN Cc1ccccc1-c1ccc(CN(C(=O)c2c([N+](=O)[O-])cnn2C)C(C)C)s1 ZINC000165563626 823853666 /nfs/dbraw/zinc/85/36/66/823853666.db2.gz JAPOBVHNDMJKPA-UHFFFAOYSA-N 0 0 398.488 4.416 20 5 GIBDRN Cc1cc(NCc2cc(Br)c3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000064621786 823854108 /nfs/dbraw/zinc/85/41/08/823854108.db2.gz BSDCWTILCSIWTK-UHFFFAOYSA-N 0 0 379.210 4.049 20 5 GIBDRN Cc1ccc(C)c(OC2CCN(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000064632138 823855367 /nfs/dbraw/zinc/85/53/67/823855367.db2.gz DUCUEKZWHHIBJC-UHFFFAOYSA-N 0 0 397.475 4.002 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Br)c(F)c1 ZINC000064645571 823857132 /nfs/dbraw/zinc/85/71/32/823857132.db2.gz YEVBLUFOMZGSSL-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096567 823859049 /nfs/dbraw/zinc/85/90/49/823859049.db2.gz DNCUGOBFHCJDIP-KSSFIOAISA-N 0 0 391.786 4.148 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096557 823859084 /nfs/dbraw/zinc/85/90/84/823859084.db2.gz DNCUGOBFHCJDIP-KDOFPFPSSA-N 0 0 391.786 4.148 20 5 GIBDRN O=[N+]([O-])c1ccc(Cc2noc([C@H](F)c3ccccc3)n2)c(Br)c1 ZINC000574942107 823866305 /nfs/dbraw/zinc/86/63/05/823866305.db2.gz CFSINJIRQUDNTR-OAHLLOKOSA-N 0 0 392.184 4.390 20 5 GIBDRN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Cl)c2ccccc21 ZINC000462202674 823868303 /nfs/dbraw/zinc/86/83/03/823868303.db2.gz IJMCPMUJUKDVHQ-LBPRGKRZSA-N 0 0 386.839 4.210 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H](n4cc(Cl)cn4)C3)cs2)c1 ZINC000574948942 823869119 /nfs/dbraw/zinc/86/91/19/823869119.db2.gz YEYFSOROALIXHG-INIZCTEOSA-N 0 0 389.868 4.015 20 5 GIBDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064722097 823871474 /nfs/dbraw/zinc/87/14/74/823871474.db2.gz XMWRWVDTJYWOFA-NEPJUHHUSA-N 0 0 380.803 4.374 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Cl)s1 ZINC000064721874 823871515 /nfs/dbraw/zinc/87/15/15/823871515.db2.gz HBURQRKPKPQOIW-SECBINFHSA-N 0 0 389.260 4.389 20 5 GIBDRN Cc1c(CNc2ccccc2C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000462208063 823871704 /nfs/dbraw/zinc/87/17/04/823871704.db2.gz GSRCJKZXVYMLSE-UHFFFAOYSA-N 0 0 375.428 4.445 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc2ccccc2c1 ZINC000064723651 823872028 /nfs/dbraw/zinc/87/20/28/823872028.db2.gz HUOANXTZFHWIFX-CYBMUJFWSA-N 0 0 384.819 4.485 20 5 GIBDRN CC(C)CNC(=O)c1ccccc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000462210820 823873802 /nfs/dbraw/zinc/87/38/02/823873802.db2.gz NXYIAJWZBUENMP-UHFFFAOYSA-N 0 0 385.464 4.380 20 5 GIBDRN O=C(CCSc1ncccc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccccc1 ZINC000126462853 823874127 /nfs/dbraw/zinc/87/41/27/823874127.db2.gz IWMXETCQNWEZNM-GOSISDBHSA-N 0 0 399.497 4.439 20 5 GIBDRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126473630 823877343 /nfs/dbraw/zinc/87/73/43/823877343.db2.gz BRSDSZLDOSRSJL-GFCCVEGCSA-N 0 0 394.258 4.300 20 5 GIBDRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126473417 823877349 /nfs/dbraw/zinc/87/73/49/823877349.db2.gz BRSDSZLDOSRSJL-LBPRGKRZSA-N 0 0 394.258 4.300 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000575001985 823883926 /nfs/dbraw/zinc/88/39/26/823883926.db2.gz TVQBMUBRUSWKBC-UHFFFAOYSA-N 0 0 397.479 4.012 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000064778184 823884668 /nfs/dbraw/zinc/88/46/68/823884668.db2.gz ATHGVVGMLFOQFB-UHFFFAOYSA-N 0 0 394.402 4.285 20 5 GIBDRN Cc1c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126511444 823888146 /nfs/dbraw/zinc/88/81/46/823888146.db2.gz FMXKQMVRZANKQV-UHFFFAOYSA-N 0 0 399.190 4.261 20 5 GIBDRN Cc1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000126527146 823890895 /nfs/dbraw/zinc/89/08/95/823890895.db2.gz RIBBVNYDYGJLBG-LJQANCHMSA-N 0 0 381.819 4.471 20 5 GIBDRN C[C@H]1CN(c2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000064836331 823896972 /nfs/dbraw/zinc/89/69/72/823896972.db2.gz YUPKUKOKPGXDEJ-STQMWFEESA-N 0 0 389.839 4.114 20 5 GIBDRN CC(C)Sc1c(Cl)cccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000462249260 823897323 /nfs/dbraw/zinc/89/73/23/823897323.db2.gz ZFZKTQBULLQFKK-UHFFFAOYSA-N 0 0 379.869 4.460 20 5 GIBDRN C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000192198503 823898623 /nfs/dbraw/zinc/89/86/23/823898623.db2.gz ZTOUYIRWMHWOMD-MRVPVSSYSA-N 0 0 385.164 4.127 20 5 GIBDRN CCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000064850406 823900263 /nfs/dbraw/zinc/90/02/63/823900263.db2.gz VTGACGOUKOEXMS-UHFFFAOYSA-N 0 0 384.310 4.030 20 5 GIBDRN Cn1cc(C(=O)NCc2cccc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064852353 823901115 /nfs/dbraw/zinc/90/11/15/823901115.db2.gz GCLOMPQWZJWZMO-UHFFFAOYSA-N 0 0 386.411 4.079 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(-c4nc[nH]n4)c3)cs2)c1 ZINC000168730865 823905550 /nfs/dbraw/zinc/90/55/50/823905550.db2.gz IGBUXPAKKOFFOS-UHFFFAOYSA-N 0 0 378.417 4.116 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000168808402 823906276 /nfs/dbraw/zinc/90/62/76/823906276.db2.gz VOFTXRXVGPRMNF-UHFFFAOYSA-N 0 0 396.834 4.152 20 5 GIBDRN CCc1cc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905965 823909429 /nfs/dbraw/zinc/90/94/29/823909429.db2.gz KUSPFHPVUQZINO-UHFFFAOYSA-N 0 0 392.415 4.108 20 5 GIBDRN CC(C)Oc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000064907720 823909917 /nfs/dbraw/zinc/90/99/17/823909917.db2.gz VFLCITPXXVBEFJ-UHFFFAOYSA-N 0 0 397.456 4.436 20 5 GIBDRN CNC(=O)c1ccc(NCc2cccc(COc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000064915118 823911212 /nfs/dbraw/zinc/91/12/12/823911212.db2.gz MIRFLFGFRZOPIR-UHFFFAOYSA-N 0 0 391.427 4.146 20 5 GIBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1c[nH]c2ncccc12 ZINC000126688744 823927194 /nfs/dbraw/zinc/92/71/94/823927194.db2.gz FRZIJLFRGLQVJK-UHFFFAOYSA-N 0 0 385.430 4.217 20 5 GIBDRN C[C@@H]1CN(c2nc(N3CCC(F)(F)[C@H](C)C3)c([N+](=O)[O-])s2)CCC1(F)F ZINC000575171695 823930917 /nfs/dbraw/zinc/93/09/17/823930917.db2.gz ALLXPHWQHNWHQW-NXEZZACHSA-N 0 0 396.410 4.014 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2ncn(Cc3coc(-c4cccc(Cl)c4)n3)n2)c1 ZINC000170686089 823938657 /nfs/dbraw/zinc/93/86/57/823938657.db2.gz RZWDKFBKMXNKCX-UHFFFAOYSA-N 0 0 381.779 4.210 20 5 GIBDRN CC1(C)Oc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2O1 ZINC000065101725 823942122 /nfs/dbraw/zinc/94/21/22/823942122.db2.gz LTPXSDVZSBJSTQ-UHFFFAOYSA-N 0 0 397.412 4.478 20 5 GIBDRN CC(C)c1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462372323 823946465 /nfs/dbraw/zinc/94/64/65/823946465.db2.gz XBOVLTIYSLWGRP-HNNXBMFYSA-N 0 0 385.439 4.114 20 5 GIBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1c[nH]c2ncccc12 ZINC000126772128 823947559 /nfs/dbraw/zinc/94/75/59/823947559.db2.gz OCLDGUSVKRFRHF-UHFFFAOYSA-N 0 0 379.401 4.155 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 ZINC000065123924 823948394 /nfs/dbraw/zinc/94/83/94/823948394.db2.gz MGQCJRSTBIBTQX-UHFFFAOYSA-N 0 0 389.205 4.076 20 5 GIBDRN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000170725377 823954913 /nfs/dbraw/zinc/95/49/13/823954913.db2.gz HHSRANHFXHNRED-UHFFFAOYSA-N 0 0 396.256 4.055 20 5 GIBDRN CO[C@H](C)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000170730182 823956578 /nfs/dbraw/zinc/95/65/78/823956578.db2.gz XRRXHFCINSKPFR-OAHLLOKOSA-N 0 0 383.448 4.157 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000575333459 823957364 /nfs/dbraw/zinc/95/73/64/823957364.db2.gz PEAXNROFINYFKI-INIZCTEOSA-N 0 0 395.438 4.081 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000170754346 823962664 /nfs/dbraw/zinc/96/26/64/823962664.db2.gz YQTGRHUTBFDFIT-UHFFFAOYSA-N 0 0 378.350 4.304 20 5 GIBDRN Cc1cccc(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000414376503 823968461 /nfs/dbraw/zinc/96/84/61/823968461.db2.gz CXQYHJALSLXROI-UHFFFAOYSA-N 0 0 388.367 4.056 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000462423247 823969411 /nfs/dbraw/zinc/96/94/11/823969411.db2.gz TVLKCRGIJFADMO-AWEZNQCLSA-N 0 0 382.445 4.321 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000170782742 823971026 /nfs/dbraw/zinc/97/10/26/823971026.db2.gz YMFXEXUDXAWOKJ-CYBMUJFWSA-N 0 0 387.244 4.177 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000462429051 823971991 /nfs/dbraw/zinc/97/19/91/823971991.db2.gz CXGVZRAQZAESGJ-GOSISDBHSA-N 0 0 397.475 4.196 20 5 GIBDRN CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C2CC2)no1 ZINC000170793915 823972787 /nfs/dbraw/zinc/97/27/87/823972787.db2.gz WYXSSNZAWMZDFZ-ZDUSSCGKSA-N 0 0 379.804 4.027 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414411695 823975508 /nfs/dbraw/zinc/97/55/08/823975508.db2.gz QIJGCHYLGOFUST-SFHVURJKSA-N 0 0 385.395 4.120 20 5 GIBDRN C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000462439816 823975877 /nfs/dbraw/zinc/97/58/77/823975877.db2.gz HGWNHSXWRIQGIW-CYBMUJFWSA-N 0 0 391.265 4.162 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000462443546 823977315 /nfs/dbraw/zinc/97/73/15/823977315.db2.gz FRIXKWPMZQRYLH-HNNXBMFYSA-N 0 0 382.395 4.127 20 5 GIBDRN CSc1cccc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)c1[N+](=O)[O-] ZINC000575569282 823977735 /nfs/dbraw/zinc/97/77/35/823977735.db2.gz CPGDKMWTRBZUQX-UHFFFAOYSA-N 0 0 381.373 4.084 20 5 GIBDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575599884 823978740 /nfs/dbraw/zinc/97/87/40/823978740.db2.gz PNXNYIZOWPYZAU-CYBMUJFWSA-N 0 0 380.322 4.094 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(c2ccccc2F)CC1 ZINC000126948754 823987684 /nfs/dbraw/zinc/98/76/84/823987684.db2.gz UVEYUWOSZULILI-UHFFFAOYSA-N 0 0 386.426 4.099 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000126983702 823994416 /nfs/dbraw/zinc/99/44/16/823994416.db2.gz OVKFRRYUZCPJNY-FQEVSTJZSA-N 0 0 381.819 4.092 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000126983883 823994487 /nfs/dbraw/zinc/99/44/87/823994487.db2.gz OVKFRRYUZCPJNY-HXUWFJFHSA-N 0 0 381.819 4.092 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000575819938 824003117 /nfs/dbraw/zinc/00/31/17/824003117.db2.gz KCEVMXGXMOQHHC-UHFFFAOYSA-N 0 0 393.365 4.221 20 5 GIBDRN Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cs1 ZINC000192504622 824013567 /nfs/dbraw/zinc/01/35/67/824013567.db2.gz QBCBOYHPNHSOIA-UHFFFAOYSA-N 0 0 384.461 4.257 20 5 GIBDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000127126624 824022723 /nfs/dbraw/zinc/02/27/23/824022723.db2.gz YNNUKVDNGCIQDC-GFCCVEGCSA-N 0 0 377.238 4.465 20 5 GIBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000127131340 824023320 /nfs/dbraw/zinc/02/33/20/824023320.db2.gz UBWSZHXRGRUJSB-UHFFFAOYSA-N 0 0 396.777 4.210 20 5 GIBDRN Cc1ncc(-c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000192538822 824024683 /nfs/dbraw/zinc/02/46/83/824024683.db2.gz LNCMXPBREVUNCH-UHFFFAOYSA-N 0 0 380.404 4.389 20 5 GIBDRN COc1cccc(C(=O)NCCc2nc(C3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000192557911 824031015 /nfs/dbraw/zinc/03/10/15/824031015.db2.gz ZNCKKNONNKTDKR-UHFFFAOYSA-N 0 0 389.477 4.080 20 5 GIBDRN CCOc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1O ZINC000192569289 824034509 /nfs/dbraw/zinc/03/45/09/824034509.db2.gz IXCVSGJKHDZMPN-UHFFFAOYSA-N 0 0 399.230 4.278 20 5 GIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1[N+](=O)[O-] ZINC000192591495 824040065 /nfs/dbraw/zinc/04/00/65/824040065.db2.gz SZOWIPVLXISNLD-UHFFFAOYSA-N 0 0 381.392 4.018 20 5 GIBDRN Cc1cc(Nc2ccc3c(c2)OCC(=O)N3C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575965215 824040250 /nfs/dbraw/zinc/04/02/50/824040250.db2.gz WFHAHRDDAWLQEH-UHFFFAOYSA-N 0 0 381.310 4.021 20 5 GIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000192608694 824044852 /nfs/dbraw/zinc/04/48/52/824044852.db2.gz FTRGEMLDQGCODX-INIZCTEOSA-N 0 0 396.495 4.434 20 5 GIBDRN Cc1c([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000192609251 824044894 /nfs/dbraw/zinc/04/48/94/824044894.db2.gz DUHYHIRLWAQSLL-ZDUSSCGKSA-N 0 0 382.395 4.027 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000576036853 824055473 /nfs/dbraw/zinc/05/54/73/824055473.db2.gz WVHXNWOGGHDMRI-UHFFFAOYSA-N 0 0 396.350 4.422 20 5 GIBDRN Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1Br ZINC000011381135 204344976 /nfs/dbraw/zinc/34/49/76/204344976.db2.gz NKLCDJHXLCAULJ-UHFFFAOYSA-N 0 0 378.226 4.106 20 5 GIBDRN Cc1c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cccc1[N+](=O)[O-] ZINC000008907383 206224223 /nfs/dbraw/zinc/22/42/23/206224223.db2.gz MLHKPUJDIFVAIQ-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN CCOc1ccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000008352177 206224567 /nfs/dbraw/zinc/22/45/67/206224567.db2.gz LBMOYHPOVZVWEQ-UHFFFAOYSA-N 0 0 392.839 4.018 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1 ZINC000003394740 206213758 /nfs/dbraw/zinc/21/37/58/206213758.db2.gz ZXIFNUVOZBUEBD-UHFFFAOYSA-N 0 0 385.601 4.028 20 5 GIBDRN O=C(CSc1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005034468 206215497 /nfs/dbraw/zinc/21/54/97/206215497.db2.gz LKJMYYKHNGMPCD-UHFFFAOYSA-N 0 0 397.334 4.486 20 5 GIBDRN O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175810870 823045736 /nfs/dbraw/zinc/04/57/36/823045736.db2.gz USYQGDMOBRJDFP-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000175815934 823046724 /nfs/dbraw/zinc/04/67/24/823046724.db2.gz NUXHGTUVEBSZJY-HNNXBMFYSA-N 0 0 398.463 4.202 20 5 GIBDRN CCOc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1 ZINC000055806355 823047070 /nfs/dbraw/zinc/04/70/70/823047070.db2.gz RNMQJJSLSVDEOF-UHFFFAOYSA-N 0 0 398.337 4.495 20 5 GIBDRN CCc1n[nH]c(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000570538082 823051355 /nfs/dbraw/zinc/05/13/55/823051355.db2.gz UFYMLOMHNKNVGC-UHFFFAOYSA-N 0 0 378.860 4.022 20 5 GIBDRN CCOc1cc(Br)c(F)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000570561277 823055152 /nfs/dbraw/zinc/05/51/52/823055152.db2.gz DQIZLXGOEDGRCW-UHFFFAOYSA-N 0 0 397.200 4.076 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)sc2Cl)c1 ZINC000570585198 823057563 /nfs/dbraw/zinc/05/75/63/823057563.db2.gz NLSBNSADJOGJAO-UHFFFAOYSA-N 0 0 375.233 4.292 20 5 GIBDRN Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000055925904 823067647 /nfs/dbraw/zinc/06/76/47/823067647.db2.gz ZATBYKURDSVPQR-UHFFFAOYSA-N 0 0 381.432 4.028 20 5 GIBDRN C[C@H](NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000458628822 823066543 /nfs/dbraw/zinc/06/65/43/823066543.db2.gz XSGXDSZEGHYGDN-IFXJQAMLSA-N 0 0 393.447 4.469 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@@H]3CCCOC3)cc2[N+](=O)[O-])cc1 ZINC000055919924 823066898 /nfs/dbraw/zinc/06/68/98/823066898.db2.gz LDFZGMFXFIYNQA-HNNXBMFYSA-N 0 0 386.473 4.211 20 5 GIBDRN COC(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(OC)c1 ZINC000187491254 823074158 /nfs/dbraw/zinc/07/41/58/823074158.db2.gz ZVSVFAUFVIAQHK-UHFFFAOYSA-N 0 0 386.407 4.436 20 5 GIBDRN CCOCc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000175931033 823075790 /nfs/dbraw/zinc/07/57/90/823075790.db2.gz TWOVRCYGKBTUFI-UHFFFAOYSA-N 0 0 399.447 4.207 20 5 GIBDRN CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056056430 823081669 /nfs/dbraw/zinc/08/16/69/823081669.db2.gz QZFLWTDYHDQZGR-GFCCVEGCSA-N 0 0 398.868 4.029 20 5 GIBDRN CCCCOc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000056028990 823080177 /nfs/dbraw/zinc/08/01/77/823080177.db2.gz RUALROZHMZLOPR-UHFFFAOYSA-N 0 0 380.404 4.212 20 5 GIBDRN CSCCc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000570758636 823082156 /nfs/dbraw/zinc/08/21/56/823082156.db2.gz TXIXCTJMBZQTLK-UHFFFAOYSA-N 0 0 398.488 4.346 20 5 GIBDRN CCOc1cc(C)ccc1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570759027 823082263 /nfs/dbraw/zinc/08/22/63/823082263.db2.gz ZZXLJSWVPORPFJ-UHFFFAOYSA-N 0 0 382.420 4.147 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000175980771 823087933 /nfs/dbraw/zinc/08/79/33/823087933.db2.gz SZFXBYCDQDHMPO-SFHVURJKSA-N 0 0 390.411 4.268 20 5 GIBDRN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000458809338 823089943 /nfs/dbraw/zinc/08/99/43/823089943.db2.gz FXRXCEWVSCQRGW-SAABIXHNSA-N 0 0 383.423 4.354 20 5 GIBDRN Cc1ccc(C[C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000175991556 823090392 /nfs/dbraw/zinc/09/03/92/823090392.db2.gz FFASFJHXOKKLRF-VIFPVBQESA-N 0 0 383.267 4.088 20 5 GIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176022665 823098345 /nfs/dbraw/zinc/09/83/45/823098345.db2.gz CTQBGGRXVDKPIB-VXGBXAGGSA-N 0 0 387.299 4.104 20 5 GIBDRN C[C@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000458891271 823102737 /nfs/dbraw/zinc/10/27/37/823102737.db2.gz SFRGFQCUCIKCPD-YOEHRIQHSA-N 0 0 389.477 4.108 20 5 GIBDRN COc1ccc(CSCC(=O)N([C@@H](C)c2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000056186047 823098777 /nfs/dbraw/zinc/09/87/77/823098777.db2.gz ZTYJLFQQTKOAHJ-ZDUSSCGKSA-N 0 0 390.461 4.182 20 5 GIBDRN CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000458888504 823102433 /nfs/dbraw/zinc/10/24/33/823102433.db2.gz LDYHZIUNCLXWOH-CVEARBPZSA-N 0 0 385.464 4.327 20 5 GIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000121014830 823103333 /nfs/dbraw/zinc/10/33/33/823103333.db2.gz NLNOACCIFRYVPE-UHFFFAOYSA-N 0 0 399.353 4.050 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000176044897 823105270 /nfs/dbraw/zinc/10/52/70/823105270.db2.gz DJIGVXKYRBWKNN-LBPRGKRZSA-N 0 0 379.363 4.065 20 5 GIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCc2cc(OC(F)F)ccc21 ZINC000056237617 823109566 /nfs/dbraw/zinc/10/95/66/823109566.db2.gz MRCIDAUDGRWXFD-UHFFFAOYSA-N 0 0 387.342 4.271 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121053894 823109595 /nfs/dbraw/zinc/10/95/95/823109595.db2.gz MYDCGZSJDBFVOO-CQSZACIVSA-N 0 0 390.509 4.423 20 5 GIBDRN CN(Cc1cc(Br)cs1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000121114256 823121023 /nfs/dbraw/zinc/12/10/23/823121023.db2.gz KJVQZBJTLJHHHZ-UHFFFAOYSA-N 0 0 383.267 4.010 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056292489 823122666 /nfs/dbraw/zinc/12/26/66/823122666.db2.gz RPYJFQXIPUATEK-UHFFFAOYSA-N 0 0 375.388 4.131 20 5 GIBDRN CC(C)(NC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000459067779 823123277 /nfs/dbraw/zinc/12/32/77/823123277.db2.gz KXXLYRNHPGYKID-CJNGLKHVSA-N 0 0 389.477 4.111 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000056335563 823130097 /nfs/dbraw/zinc/13/00/97/823130097.db2.gz NMKHGHSVHJUCAY-OAHLLOKOSA-N 0 0 392.415 4.452 20 5 GIBDRN COc1ccc(C[C@H]2CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)cc1 ZINC000571124175 823136152 /nfs/dbraw/zinc/13/61/52/823136152.db2.gz QTHCSOFIVKCQJM-MRXNPFEDSA-N 0 0 378.432 4.006 20 5 GIBDRN CN1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc21 ZINC000459171566 823137821 /nfs/dbraw/zinc/13/78/21/823137821.db2.gz YVTCFVOAMBFIRY-IBGZPJMESA-N 0 0 394.475 4.240 20 5 GIBDRN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000176167119 823141612 /nfs/dbraw/zinc/14/16/12/823141612.db2.gz CEMMEZVOHKDHSG-GFCCVEGCSA-N 0 0 377.238 4.167 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000459197143 823142081 /nfs/dbraw/zinc/14/20/81/823142081.db2.gz QWYQYKVTVYHQCN-ZDUSSCGKSA-N 0 0 388.493 4.221 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000056398039 823142854 /nfs/dbraw/zinc/14/28/54/823142854.db2.gz XHNRZCFRLOHAPH-UONOGXRCSA-N 0 0 387.436 4.124 20 5 GIBDRN CCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000056398044 823142863 /nfs/dbraw/zinc/14/28/63/823142863.db2.gz XHNRZCFRLOHAPH-KGLIPLIRSA-N 0 0 387.436 4.124 20 5 GIBDRN COCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccn1 ZINC000571208650 823148669 /nfs/dbraw/zinc/14/86/69/823148669.db2.gz YATGCUDTINMGQA-UHFFFAOYSA-N 0 0 383.473 4.367 20 5 GIBDRN CN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000571228529 823152229 /nfs/dbraw/zinc/15/22/29/823152229.db2.gz LQTXWXAQLRFMJI-UHFFFAOYSA-N 0 0 383.477 4.199 20 5 GIBDRN Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000176209696 823153400 /nfs/dbraw/zinc/15/34/00/823153400.db2.gz YWQHGIFZSGAMOV-JTQLQIEISA-N 0 0 381.201 4.296 20 5 GIBDRN C[C@@H](Oc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000571240025 823153774 /nfs/dbraw/zinc/15/37/74/823153774.db2.gz JMDPKMSLOJQXBO-LLVKDONJSA-N 0 0 383.326 4.246 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000176222560 823156517 /nfs/dbraw/zinc/15/65/17/823156517.db2.gz KDOUIDCYOOVXGA-UHFFFAOYSA-N 0 0 375.400 4.284 20 5 GIBDRN CSc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000121286180 823155418 /nfs/dbraw/zinc/15/54/18/823155418.db2.gz UFPYUVVMPVJRPE-LJQANCHMSA-N 0 0 397.431 4.370 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000459293512 823157379 /nfs/dbraw/zinc/15/73/79/823157379.db2.gz BIHFTXRAOJGSQM-OAHLLOKOSA-N 0 0 395.868 4.335 20 5 GIBDRN Cc1ccc(Br)c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000571270591 823158510 /nfs/dbraw/zinc/15/85/10/823158510.db2.gz MQYAVRMYCVHHRW-UHFFFAOYSA-N 0 0 377.238 4.213 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000056546438 823166191 /nfs/dbraw/zinc/16/61/91/823166191.db2.gz XEANZLVSOWZDQC-UHFFFAOYSA-N 0 0 381.432 4.338 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176257150 823164613 /nfs/dbraw/zinc/16/46/13/823164613.db2.gz PTOFQFMPZRYGEW-IAQYHMDHSA-N 0 0 380.853 4.038 20 5 GIBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176263583 823166612 /nfs/dbraw/zinc/16/66/12/823166612.db2.gz IPONKJMLOUSNKI-QYOLQKOISA-N 0 0 395.868 4.211 20 5 GIBDRN C[C@@H]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)C1 ZINC000571339866 823167729 /nfs/dbraw/zinc/16/77/29/823167729.db2.gz GXIMKQIRFUBECF-CVEARBPZSA-N 0 0 377.448 4.136 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188007459 823170973 /nfs/dbraw/zinc/17/09/73/823170973.db2.gz HQCKNBFGKKXGAH-UHFFFAOYSA-N 0 0 398.312 4.432 20 5 GIBDRN CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000571363035 823171334 /nfs/dbraw/zinc/17/13/34/823171334.db2.gz JOEJMNKASCCOLX-JIIJFUIFSA-N 0 0 378.388 4.029 20 5 GIBDRN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000121374459 823172934 /nfs/dbraw/zinc/17/29/34/823172934.db2.gz INFOBODNBQGMNW-HXUWFJFHSA-N 0 0 390.374 4.130 20 5 GIBDRN Cc1nnc(Sc2ncnc3sc([N+](=O)[O-])cc32)n1[C@H]1CCC[C@@H](C)C1 ZINC000571428506 823181686 /nfs/dbraw/zinc/18/16/86/823181686.db2.gz UELKWJDPXRWHNR-KOLCDFICSA-N 0 0 390.494 4.402 20 5 GIBDRN O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000121463579 823189208 /nfs/dbraw/zinc/18/92/08/823189208.db2.gz IEINCWHFZNWQKZ-PXNSSMCTSA-N 0 0 381.432 4.026 20 5 GIBDRN COc1cccc(F)c1[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176350001 823189305 /nfs/dbraw/zinc/18/93/05/823189305.db2.gz XQYPEMKTVWYQCB-OLZOCXBDSA-N 0 0 375.400 4.172 20 5 GIBDRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000121463746 823189350 /nfs/dbraw/zinc/18/93/50/823189350.db2.gz IEINCWHFZNWQKZ-YLJYHZDGSA-N 0 0 381.432 4.026 20 5 GIBDRN Cc1[nH]c2ccccc2c1CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121511280 823197481 /nfs/dbraw/zinc/19/74/81/823197481.db2.gz IBQFFTMHZHRZCI-UHFFFAOYSA-N 0 0 392.459 4.301 20 5 GIBDRN COc1cccc(C2(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 ZINC000571577035 823203443 /nfs/dbraw/zinc/20/34/43/823203443.db2.gz SMPCTMDUPPJNHD-UHFFFAOYSA-N 0 0 398.462 4.152 20 5 GIBDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000056763394 823208809 /nfs/dbraw/zinc/20/88/09/823208809.db2.gz HYHSBUSBHJDFLC-KRWDZBQOSA-N 0 0 399.447 4.125 20 5 GIBDRN C[C@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000176467789 823214244 /nfs/dbraw/zinc/21/42/44/823214244.db2.gz XVTYKQKLNFKNNT-AWEZNQCLSA-N 0 0 388.489 4.273 20 5 GIBDRN O=[N+]([O-])c1cc(F)c(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000459550372 823218254 /nfs/dbraw/zinc/21/82/54/823218254.db2.gz XSOIXHNKCIRILI-IBGZPJMESA-N 0 0 376.403 4.257 20 5 GIBDRN O=[N+]([O-])c1ccc(CN(c2nnc([C@H]3CCCS3)n2C2CC2)C2CC2)cc1 ZINC000571692556 823219825 /nfs/dbraw/zinc/21/98/25/823219825.db2.gz OERWHEOPIJJCFP-QGZVFWFLSA-N 0 0 385.493 4.258 20 5 GIBDRN Cc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000176494354 823220367 /nfs/dbraw/zinc/22/03/67/823220367.db2.gz JJTXHBIFILUOPE-GFCCVEGCSA-N 0 0 379.363 4.065 20 5 GIBDRN Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1F ZINC000571683100 823218533 /nfs/dbraw/zinc/21/85/33/823218533.db2.gz VVXKVBWKCQJQQM-UHFFFAOYSA-N 0 0 388.786 4.349 20 5 GIBDRN Cc1cc(F)cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000121689220 823230824 /nfs/dbraw/zinc/23/08/24/823230824.db2.gz TVABZIUIFJPSJD-UHFFFAOYSA-N 0 0 379.391 4.453 20 5 GIBDRN COc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000188415288 823237345 /nfs/dbraw/zinc/23/73/45/823237345.db2.gz WBJXISVMGHRFOI-OAHLLOKOSA-N 0 0 386.473 4.166 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000571783102 823233952 /nfs/dbraw/zinc/23/39/52/823233952.db2.gz OZRVRBDOYRUXLE-UHFFFAOYSA-N 0 0 390.237 4.192 20 5 GIBDRN CCOc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000121725970 823238077 /nfs/dbraw/zinc/23/80/77/823238077.db2.gz FWDXIFKOXKIJOM-UHFFFAOYSA-N 0 0 387.411 4.007 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000409522634 823240470 /nfs/dbraw/zinc/24/04/70/823240470.db2.gz QGDNINZYQGPTPT-LIRRHRJNSA-N 0 0 384.480 4.013 20 5 GIBDRN O=C([O-])C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCC1 ZINC000571831919 823241467 /nfs/dbraw/zinc/24/14/67/823241467.db2.gz RUDGQGGWDMXKHB-UHFFFAOYSA-N 0 0 388.395 4.261 20 5 GIBDRN Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cccc1N(C)C ZINC000409545269 823246920 /nfs/dbraw/zinc/24/69/20/823246920.db2.gz XNMJZQFBTPRVDY-UHFFFAOYSA-N 0 0 384.255 4.046 20 5 GIBDRN O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CC1CCC(C(F)(F)F)CC1 ZINC000571880229 823249362 /nfs/dbraw/zinc/24/93/62/823249362.db2.gz AQBPTUCEFCJOQY-UHFFFAOYSA-N 0 0 389.761 4.327 20 5 GIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000571911054 823252958 /nfs/dbraw/zinc/25/29/58/823252958.db2.gz VNIPZMFIHLJTDS-INIZCTEOSA-N 0 0 381.270 4.143 20 5 GIBDRN COc1ccc(C)cc1C1(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CCOCC1 ZINC000057149840 823255391 /nfs/dbraw/zinc/25/53/91/823255391.db2.gz HFFWJLMLSVJGOL-UHFFFAOYSA-N 0 0 398.459 4.275 20 5 GIBDRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000862101 817374041 /nfs/dbraw/zinc/37/40/41/817374041.db2.gz JYQRIXGZWNUCEU-UHFFFAOYSA-N 0 0 382.445 4.157 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000121849740 823262306 /nfs/dbraw/zinc/26/23/06/823262306.db2.gz VLODPIYOQIIKAR-IRXDYDNUSA-N 0 0 390.443 4.107 20 5 GIBDRN Cc1nc(CC2CC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000188565074 823262901 /nfs/dbraw/zinc/26/29/01/823262901.db2.gz XUEKJSWORCKXOE-UHFFFAOYSA-N 0 0 383.376 4.166 20 5 GIBDRN Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003401150 817449284 /nfs/dbraw/zinc/44/92/84/817449284.db2.gz QKNIBKSNIJRSED-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc([N+](=O)[O-])c1 ZINC000121856613 823264176 /nfs/dbraw/zinc/26/41/76/823264176.db2.gz GTBPROKEAFVEHX-UHFFFAOYSA-N 0 0 391.431 4.140 20 5 GIBDRN CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003420780 817452737 /nfs/dbraw/zinc/45/27/37/817452737.db2.gz FQESFRCBFGOGBR-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN O=[N+]([O-])c1cccc2ncnc(Nc3ccc(OCC(F)(F)F)c(F)c3)c21 ZINC000409635466 823268825 /nfs/dbraw/zinc/26/88/25/823268825.db2.gz LINXUSOMVJIALP-UHFFFAOYSA-N 0 0 382.273 4.362 20 5 GIBDRN Cc1ccc(/C=C/CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000176676133 823264767 /nfs/dbraw/zinc/26/47/67/823264767.db2.gz MKRLBVQEJMDGJX-NSCUHMNNSA-N 0 0 380.444 4.377 20 5 GIBDRN O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000571980877 823264932 /nfs/dbraw/zinc/26/49/32/823264932.db2.gz ABAIKKGMTQDRDG-TZMCWYRMSA-N 0 0 388.807 4.043 20 5 GIBDRN C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003500448 817471154 /nfs/dbraw/zinc/47/11/54/817471154.db2.gz XQQOYHXLIJWDFF-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003512189 817475009 /nfs/dbraw/zinc/47/50/09/817475009.db2.gz SETJWPGBMPQQIF-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000003514226 817475557 /nfs/dbraw/zinc/47/55/57/817475557.db2.gz ZSHXMTZPFRPBAH-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN COc1ccc2nc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)sc2c1 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C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(Cl)cn1 ZINC000006027987 817641672 /nfs/dbraw/zinc/64/16/72/817641672.db2.gz XWWKFZWIMAFRPH-MRVPVSSYSA-N 0 0 394.865 4.372 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176716534 823275820 /nfs/dbraw/zinc/27/58/20/823275820.db2.gz SSGCOKCLHHYCQG-QGZVFWFLSA-N 0 0 397.475 4.355 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176716549 823275919 /nfs/dbraw/zinc/27/59/19/823275919.db2.gz SSGCOKCLHHYCQG-KRWDZBQOSA-N 0 0 397.475 4.355 20 5 GIBDRN Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2cc1C ZINC000006053195 817644687 /nfs/dbraw/zinc/64/46/87/817644687.db2.gz WTOYTLKONAOPAG-UHFFFAOYSA-N 0 0 387.775 4.328 20 5 GIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1Cl ZINC000006057083 817645449 /nfs/dbraw/zinc/64/54/49/817645449.db2.gz OPOBOQYNHYWEGG-UHFFFAOYSA-N 0 0 394.170 4.309 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)O[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])n1 ZINC000006081203 817649466 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4.355 20 5 GIBDRN C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006376925 817685645 /nfs/dbraw/zinc/68/56/45/817685645.db2.gz FADNKOXVMZXMQH-JTQLQIEISA-N 0 0 388.342 4.064 20 5 GIBDRN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006454583 817693142 /nfs/dbraw/zinc/69/31/42/817693142.db2.gz GROZGAYONVENMC-VIFPVBQESA-N 0 0 385.203 4.316 20 5 GIBDRN Cc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)s1 ZINC000460040879 823281736 /nfs/dbraw/zinc/28/17/36/823281736.db2.gz MOOUBYLJIMHOAW-UHFFFAOYSA-N 0 0 398.282 4.173 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccc(Br)cc1 ZINC000006539587 817702350 /nfs/dbraw/zinc/70/23/50/817702350.db2.gz VRQLYRUDWBNOTC-UHFFFAOYSA-N 0 0 382.235 4.193 20 5 GIBDRN O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000006539669 817702412 /nfs/dbraw/zinc/70/24/12/817702412.db2.gz RGEKLNSLZZMKTC-UHFFFAOYSA-N 0 0 396.424 4.022 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc3c(cc2Cl)OCO3)cc1[N+](=O)[O-] ZINC000176740162 823282234 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395.459 4.056 20 5 GIBDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000572102736 823283907 /nfs/dbraw/zinc/28/39/07/823283907.db2.gz KPPQNAQPKZPDDV-YWZLYKJASA-N 0 0 378.472 4.006 20 5 GIBDRN Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000006979248 817733334 /nfs/dbraw/zinc/73/33/34/817733334.db2.gz NQFPZNJXFXYMPR-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006987647 817735600 /nfs/dbraw/zinc/73/56/00/817735600.db2.gz GWUIGVTVXIVCFF-LLVKDONJSA-N 0 0 387.779 4.145 20 5 GIBDRN COc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000007035374 817743087 /nfs/dbraw/zinc/74/30/87/817743087.db2.gz YKVFVEXJNIKHKA-UHFFFAOYSA-N 0 0 378.384 4.288 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000007035795 817743741 /nfs/dbraw/zinc/74/37/41/817743741.db2.gz WDMYRJHJUKZLMJ-AWEZNQCLSA-N 0 0 378.384 4.240 20 5 GIBDRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000007053233 817748186 /nfs/dbraw/zinc/74/81/86/817748186.db2.gz QITTWZROPBVNIF-UHFFFAOYSA-N 0 0 380.731 4.068 20 5 GIBDRN Cc1cccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000007060708 817750682 /nfs/dbraw/zinc/75/06/82/817750682.db2.gz HOGRCLUSFAWOKS-UHFFFAOYSA-N 0 0 382.445 4.128 20 5 GIBDRN C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007108466 817761694 /nfs/dbraw/zinc/76/16/94/817761694.db2.gz LAIOUSAAPMIPKN-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)ccc1Cl ZINC000007108556 817761859 /nfs/dbraw/zinc/76/18/59/817761859.db2.gz BAKIXKFHXWNASQ-UHFFFAOYSA-N 0 0 394.170 4.309 20 5 GIBDRN Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1Br ZINC000121975152 823287652 /nfs/dbraw/zinc/28/76/52/823287652.db2.gz OBEPTXXIRKIIMP-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1nnc(-c2ccco2)o1 ZINC000007168931 817778888 /nfs/dbraw/zinc/77/88/88/817778888.db2.gz MDTFBHPKUGQTHE-UHFFFAOYSA-N 0 0 390.424 4.022 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ZINC000572342310 823324721 /nfs/dbraw/zinc/32/47/21/823324721.db2.gz OQYVKOFHGMGSGT-GDBMZVCRSA-N 0 0 377.444 4.162 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000014878171 818273888 /nfs/dbraw/zinc/27/38/88/818273888.db2.gz YVENCYGOHODIBG-UHFFFAOYSA-N 0 0 385.420 4.180 20 5 GIBDRN Cc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1-c1ccccc1C ZINC000176929208 823326635 /nfs/dbraw/zinc/32/66/35/823326635.db2.gz KHZVZVJDACCUJU-UHFFFAOYSA-N 0 0 381.417 4.226 20 5 GIBDRN COc1ccc2cc(CN(C)C(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc2c1 ZINC000015136364 818293809 /nfs/dbraw/zinc/29/38/09/818293809.db2.gz QSUKSSPTAGEBEO-UHFFFAOYSA-N 0 0 380.400 4.037 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000015271378 818305194 /nfs/dbraw/zinc/30/51/94/818305194.db2.gz MDONCSLXXDXNJC-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN CCCn1c(=O)c2ccccc2nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176931033 823327435 /nfs/dbraw/zinc/32/74/35/823327435.db2.gz LQIBTYIJVDVXEH-UHFFFAOYSA-N 0 0 396.428 4.148 20 5 GIBDRN Cc1ccc([C@@H](NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000015291481 818307041 /nfs/dbraw/zinc/30/70/41/818307041.db2.gz XXLSJQWMWANFTG-HXUWFJFHSA-N 0 0 399.447 4.422 20 5 GIBDRN Cc1ccc([C@H](NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000015291482 818307269 /nfs/dbraw/zinc/30/72/69/818307269.db2.gz XXLSJQWMWANFTG-FQEVSTJZSA-N 0 0 399.447 4.422 20 5 GIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000015300810 818309964 /nfs/dbraw/zinc/30/99/64/818309964.db2.gz ULAMAKSDDPQXLQ-UHFFFAOYSA-N 0 0 381.354 4.074 20 5 GIBDRN Cc1cccc(CCCOC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000122251408 823327854 /nfs/dbraw/zinc/32/78/54/823327854.db2.gz DIQDOKVRLWQOBM-UHFFFAOYSA-N 0 0 386.451 4.034 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000015358649 818316287 /nfs/dbraw/zinc/31/62/87/818316287.db2.gz XOJGISOCDQQDPN-FQEVSTJZSA-N 0 0 399.447 4.422 20 5 GIBDRN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000122254161 823328374 /nfs/dbraw/zinc/32/83/74/823328374.db2.gz SIGZIYPDDKFSEI-GFCCVEGCSA-N 0 0 389.249 4.046 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000015409156 818322259 /nfs/dbraw/zinc/32/22/59/818322259.db2.gz NQGOUTGNMUJSPR-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN O=C(CCSCCOc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000409860738 823328794 /nfs/dbraw/zinc/32/87/94/823328794.db2.gz IBMTZKHZXFOKPC-UHFFFAOYSA-N 0 0 380.853 4.389 20 5 GIBDRN Cc1c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000122261715 823329283 /nfs/dbraw/zinc/32/92/83/823329283.db2.gz QGCNGWVJBFOQDK-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN O=C(NCCOc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000015538302 818334885 /nfs/dbraw/zinc/33/48/85/818334885.db2.gz IPRYXFGNGGGRJK-UHFFFAOYSA-N 0 0 376.821 4.272 20 5 GIBDRN CCOc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000015547074 818336221 /nfs/dbraw/zinc/33/62/21/818336221.db2.gz QVUJXHAAQKXDSF-INIZCTEOSA-N 0 0 389.477 4.003 20 5 GIBDRN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1cccnc1 ZINC000057770987 823330077 /nfs/dbraw/zinc/33/00/77/823330077.db2.gz QHHVZBMREVPQDM-LJQANCHMSA-N 0 0 394.818 4.410 20 5 GIBDRN O=C1c2ccccc2N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N1Cc1cccnc1 ZINC000057771198 823330189 /nfs/dbraw/zinc/33/01/89/823330189.db2.gz OKALTDXNZNQLTD-VIOKTNGOSA-N 0 0 386.411 4.097 20 5 GIBDRN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000015640447 818352075 /nfs/dbraw/zinc/35/20/75/818352075.db2.gz ZPCDXBZCCZUEBA-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015644186 818353508 /nfs/dbraw/zinc/35/35/08/818353508.db2.gz QAFUMWAGEKBAOA-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015655063 818356342 /nfs/dbraw/zinc/35/63/42/818356342.db2.gz CHBQILREMLDKCA-NRMKIYEFSA-N 0 0 382.416 4.302 20 5 GIBDRN COCCOc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)c1 ZINC000122271898 823330655 /nfs/dbraw/zinc/33/06/55/823330655.db2.gz NGXPUIYYGSNDFR-UHFFFAOYSA-N 0 0 399.447 4.125 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000015911745 818378699 /nfs/dbraw/zinc/37/86/99/818378699.db2.gz QYJLKJLZSFAGJI-UHFFFAOYSA-N 0 0 399.472 4.332 20 5 GIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000015990387 818382240 /nfs/dbraw/zinc/38/22/40/818382240.db2.gz GGULTTWOBPFXKW-UHFFFAOYSA-N 0 0 382.247 4.240 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000015993214 818382714 /nfs/dbraw/zinc/38/27/14/818382714.db2.gz FAGQGHXGEHCGPL-UHFFFAOYSA-N 0 0 391.374 4.439 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] ZINC000016004716 818383852 /nfs/dbraw/zinc/38/38/52/818383852.db2.gz WLIURSQEYCQPNT-UHFFFAOYSA-N 0 0 392.780 4.327 20 5 GIBDRN Cc1noc(C)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188977006 823337297 /nfs/dbraw/zinc/33/72/97/823337297.db2.gz GEEKWGODVLTRKO-UHFFFAOYSA-N 0 0 395.415 4.350 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000016084509 818390351 /nfs/dbraw/zinc/39/03/51/818390351.db2.gz FFCHDQFKRFXPFH-UHFFFAOYSA-N 0 0 389.260 4.031 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000016089679 818391144 /nfs/dbraw/zinc/39/11/44/818391144.db2.gz OMYREIMHBTYAPU-UHFFFAOYSA-N 0 0 381.715 4.035 20 5 GIBDRN CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000572406814 823333636 /nfs/dbraw/zinc/33/36/36/823333636.db2.gz QRTQCXQQKAAROS-CPFIRTDXSA-N 0 0 378.388 4.029 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000188957243 823334020 /nfs/dbraw/zinc/33/40/20/823334020.db2.gz FCIMMJRFSRCLML-HNNXBMFYSA-N 0 0 384.432 4.175 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000057794948 823334062 /nfs/dbraw/zinc/33/40/62/823334062.db2.gz CSHNANVOHTYDMR-QGZVFWFLSA-N 0 0 384.461 4.320 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000016144703 818397878 /nfs/dbraw/zinc/39/78/78/818397878.db2.gz NPVRRKHMFTUUSW-MRXNPFEDSA-N 0 0 396.399 4.154 20 5 GIBDRN Cc1nc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nc1C ZINC000188978927 823337480 /nfs/dbraw/zinc/33/74/80/823337480.db2.gz ZYDSQWPUBRIJMW-UHFFFAOYSA-N 0 0 392.415 4.141 20 5 GIBDRN Cc1ccc(C2=CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000016275742 818414357 /nfs/dbraw/zinc/41/43/57/818414357.db2.gz AEJUIIAWVNRGKL-UHFFFAOYSA-N 0 0 377.444 4.407 20 5 GIBDRN Cn1cc(-c2nc(COc3ccc([N+](=O)[O-])cc3C(F)(F)F)cs2)cn1 ZINC000057812274 823335405 /nfs/dbraw/zinc/33/54/05/823335405.db2.gz SFMQVAIQQPFJCW-UHFFFAOYSA-N 0 0 384.339 4.050 20 5 GIBDRN CS(=O)(=O)c1ccc(N[C@@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000016738182 818471845 /nfs/dbraw/zinc/47/18/45/818471845.db2.gz KPFOSIYXUKXAGL-CYBMUJFWSA-N 0 0 398.893 4.301 20 5 GIBDRN NC(=O)c1ccc(COc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000016753320 818473856 /nfs/dbraw/zinc/47/38/56/818473856.db2.gz MCDCGTDWBOBZCQ-UHFFFAOYSA-N 0 0 375.595 4.233 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000122334409 823339609 /nfs/dbraw/zinc/33/96/09/823339609.db2.gz TZZFKLSXXBJXQA-UHFFFAOYSA-N 0 0 382.445 4.391 20 5 GIBDRN CCOc1cc(C(=O)NCc2csc3ccccc23)c([N+](=O)[O-])cc1OC ZINC000057836448 823339749 /nfs/dbraw/zinc/33/97/49/823339749.db2.gz MAWXIIFYFUTSCI-UHFFFAOYSA-N 0 0 386.429 4.147 20 5 GIBDRN CC(C)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000016967245 818493788 /nfs/dbraw/zinc/49/37/88/818493788.db2.gz OZDMBYLGINIQOZ-SFHVURJKSA-N 0 0 398.488 4.467 20 5 GIBDRN C[S@](=O)c1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1 ZINC000017149977 818501487 /nfs/dbraw/zinc/50/14/87/818501487.db2.gz YLCPXBLSKGEOOX-HHHXNRCGSA-N 0 0 375.449 4.482 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000057874095 823343539 /nfs/dbraw/zinc/34/35/39/823343539.db2.gz PPRAVTVLFCCXAK-LLVKDONJSA-N 0 0 382.247 4.499 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000017737039 818525708 /nfs/dbraw/zinc/52/57/08/818525708.db2.gz BLTXIFQIWYEWBM-UHFFFAOYSA-N 0 0 384.413 4.296 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000017749506 818526782 /nfs/dbraw/zinc/52/67/82/818526782.db2.gz MJKVCKJIZCZMQT-UHFFFAOYSA-N 0 0 386.408 4.163 20 5 GIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1=Cc2ccccc2OC1 ZINC000057883150 823344482 /nfs/dbraw/zinc/34/44/82/823344482.db2.gz JZTQSAQZVHGUFV-UHFFFAOYSA-N 0 0 379.397 4.133 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nnc3ccccn32)CC1 ZINC000018060732 818542194 /nfs/dbraw/zinc/54/21/94/818542194.db2.gz OMVDDVZOMYFUHF-UHFFFAOYSA-N 0 0 391.353 4.040 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000176991984 823344594 /nfs/dbraw/zinc/34/45/94/823344594.db2.gz MDXQKHXHWKLRRO-HNNXBMFYSA-N 0 0 398.463 4.233 20 5 GIBDRN O=[N+]([O-])c1ccc(F)c(NC(=S)NCCSc2ccc(Cl)cc2)c1 ZINC000018138412 818550032 /nfs/dbraw/zinc/55/00/32/818550032.db2.gz JRGOMHAKOGOIJQ-UHFFFAOYSA-N 0 0 385.873 4.466 20 5 GIBDRN O=[N+]([O-])c1ccccc1NCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000018162213 818553120 /nfs/dbraw/zinc/55/31/20/818553120.db2.gz BLIDFZUTVGOBPB-UHFFFAOYSA-N 0 0 384.383 4.012 20 5 GIBDRN CCSc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000189035474 823345585 /nfs/dbraw/zinc/34/55/85/823345585.db2.gz KJZPYVIASSMZFC-UHFFFAOYSA-N 0 0 397.909 4.164 20 5 GIBDRN Cc1c(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000018215583 818557415 /nfs/dbraw/zinc/55/74/15/818557415.db2.gz AIBNKWJDLRUHPL-UHFFFAOYSA-N 0 0 389.455 4.014 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000018238465 818560897 /nfs/dbraw/zinc/56/08/97/818560897.db2.gz LUXBICOGFJXFJP-LLVKDONJSA-N 0 0 388.445 4.291 20 5 GIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Cl)s1 ZINC000018939205 818581186 /nfs/dbraw/zinc/58/11/86/818581186.db2.gz BFKWRULJAMTIMZ-SECBINFHSA-N 0 0 388.276 4.422 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000122386413 823347497 /nfs/dbraw/zinc/34/74/97/823347497.db2.gz ZMDDYLWQQGWSOD-KDOFPFPSSA-N 0 0 386.473 4.214 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000019676515 818597755 /nfs/dbraw/zinc/59/77/55/818597755.db2.gz LUZZSFQZNRDERV-UHFFFAOYSA-N 0 0 383.429 4.217 20 5 GIBDRN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-] ZINC000020893494 818637197 /nfs/dbraw/zinc/63/71/97/818637197.db2.gz FYEJURARUUYYSH-UHFFFAOYSA-N 0 0 399.410 4.403 20 5 GIBDRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000021226531 818666622 /nfs/dbraw/zinc/66/66/22/818666622.db2.gz CURVBZATAXQWMJ-SNVBAGLBSA-N 0 0 375.841 4.074 20 5 GIBDRN CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460315751 823350608 /nfs/dbraw/zinc/35/06/08/823350608.db2.gz WZMNBSACQGOENE-UHFFFAOYSA-N 0 0 383.839 4.089 20 5 GIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000177019215 823350595 /nfs/dbraw/zinc/35/05/95/823350595.db2.gz YTADDOWBJPQVBI-UHFFFAOYSA-N 0 0 396.447 4.309 20 5 GIBDRN Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n(CC(C)C)c1C ZINC000021432509 818686311 /nfs/dbraw/zinc/68/63/11/818686311.db2.gz HHYJNQWWMPAREE-CQSZACIVSA-N 0 0 376.482 4.183 20 5 GIBDRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409981914 823361652 /nfs/dbraw/zinc/36/16/52/823361652.db2.gz SEIXNSQNORDOJU-UHFFFAOYSA-N 0 0 381.413 4.090 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000021571086 818706091 /nfs/dbraw/zinc/70/60/91/818706091.db2.gz ROOUQSRHJSCARO-SNVBAGLBSA-N 0 0 397.200 4.211 20 5 GIBDRN O=C(COC(=O)CCc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000021607262 818712892 /nfs/dbraw/zinc/71/28/92/818712892.db2.gz ACQYKFYLQVIALW-UHFFFAOYSA-N 0 0 397.214 4.016 20 5 GIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OCC ZINC000177041749 823357525 /nfs/dbraw/zinc/35/75/25/823357525.db2.gz BLEGFLQLVMXXIG-LBPRGKRZSA-N 0 0 376.384 4.022 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN(Cc1noc(-c2ccc(F)cc2F)n1)C1CC1 ZINC000189126943 823361193 /nfs/dbraw/zinc/36/11/93/823361193.db2.gz BSOKRJADOVZHMT-UHFFFAOYSA-N 0 0 386.358 4.088 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021635944 818718101 /nfs/dbraw/zinc/71/81/01/818718101.db2.gz PBAASPWMLBTFJX-UHFFFAOYSA-N 0 0 391.758 4.393 20 5 GIBDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000021649110 818719810 /nfs/dbraw/zinc/71/98/10/818719810.db2.gz XOMWPBMWYAYSCZ-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN O=C(OC[C@@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000021729695 818731268 /nfs/dbraw/zinc/73/12/68/818731268.db2.gz NGMGJOLPLAFDRL-HNNXBMFYSA-N 0 0 377.780 4.376 20 5 GIBDRN CC[C@@H](C)NC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767935 818735814 /nfs/dbraw/zinc/73/58/14/818735814.db2.gz ZBMPWPFMFNWGHQ-ZIAGYGMSSA-N 0 0 378.501 4.431 20 5 GIBDRN COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000021830497 818741765 /nfs/dbraw/zinc/74/17/65/818741765.db2.gz FZIMDEJZUJWNLX-NRFANRHFSA-N 0 0 376.412 4.431 20 5 GIBDRN CC(C)Oc1ccccc1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460347109 823359830 /nfs/dbraw/zinc/35/98/30/823359830.db2.gz ILMXWWBJSNIVDE-FQEVSTJZSA-N 0 0 386.473 4.199 20 5 GIBDRN C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)c1cccc([N+](=O)[O-])c1 ZINC000022028595 818765570 /nfs/dbraw/zinc/76/55/70/818765570.db2.gz INBQBVTVWRHVKT-BDJLRTHQSA-N 0 0 385.401 4.344 20 5 GIBDRN COCc1c(Br)cccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058107847 823362551 /nfs/dbraw/zinc/36/25/51/823362551.db2.gz SQBHFWLMSKAVGY-UHFFFAOYSA-N 0 0 399.628 4.409 20 5 GIBDRN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000460361460 823363926 /nfs/dbraw/zinc/36/39/26/823363926.db2.gz HHQXJXOVRRBEOD-HXUWFJFHSA-N 0 0 379.441 4.339 20 5 GIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000022467219 818811019 /nfs/dbraw/zinc/81/10/19/818811019.db2.gz BXQOPSVENBYJNN-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000022468234 818811066 /nfs/dbraw/zinc/81/10/66/818811066.db2.gz OIXKRKACHWMDDI-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000022476369 818813397 /nfs/dbraw/zinc/81/33/97/818813397.db2.gz HESSTDXCMCDXJJ-HNNXBMFYSA-N 0 0 392.411 4.169 20 5 GIBDRN CCCCSc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000022489773 818815971 /nfs/dbraw/zinc/81/59/71/818815971.db2.gz DSRSMUDTYYBNMG-JTQLQIEISA-N 0 0 398.535 4.458 20 5 GIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000022501346 818818643 /nfs/dbraw/zinc/81/86/43/818818643.db2.gz PZZZOCWAZHIIBW-CABCVRRESA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000022560584 818827205 /nfs/dbraw/zinc/82/72/05/818827205.db2.gz NPAQAPFGTMGDKX-YKWSONSWSA-N 0 0 388.807 4.140 20 5 GIBDRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000022622557 818835575 /nfs/dbraw/zinc/83/55/75/818835575.db2.gz KUFLOBUCUBOXJC-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(C)cc([N+](=O)[O-])c4)CC3)c2c1 ZINC000122530515 823367690 /nfs/dbraw/zinc/36/76/90/823367690.db2.gz IGHCMQRAQOETBP-UHFFFAOYSA-N 0 0 393.443 4.413 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000022788105 818860787 /nfs/dbraw/zinc/86/07/87/818860787.db2.gz UCOPYUVNPFPKSI-OCHBPSSRSA-N 0 0 388.807 4.140 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000022911060 818875765 /nfs/dbraw/zinc/87/57/65/818875765.db2.gz QEDYHTRXBRIZAT-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CNC(=O)c1cc(Cl)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000058227492 823370130 /nfs/dbraw/zinc/37/01/30/823370130.db2.gz XMQTXJDCTHRHCT-UHFFFAOYSA-N 0 0 389.820 4.075 20 5 GIBDRN O=C1[C@H](Nc2ccc(SC(F)F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177102119 823371545 /nfs/dbraw/zinc/37/15/45/823371545.db2.gz PKQZXWPZFVSNBR-OAHLLOKOSA-N 0 0 379.388 4.127 20 5 GIBDRN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCc2ccccc21 ZINC000023151556 818904538 /nfs/dbraw/zinc/90/45/38/818904538.db2.gz MDCMOYXGGJSWOI-HXUWFJFHSA-N 0 0 393.487 4.347 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc([N+](=O)[O-])c1 ZINC000023268737 818918698 /nfs/dbraw/zinc/91/86/98/818918698.db2.gz VOAWSMDGXHNUSC-UHFFFAOYSA-N 0 0 399.428 4.250 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023344503 818924927 /nfs/dbraw/zinc/92/49/27/818924927.db2.gz QSYDYRGEJFJZOY-QWHCGFSZSA-N 0 0 398.440 4.232 20 5 GIBDRN CCCCn1c(C)c(C)nc1S[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023363171 818928317 /nfs/dbraw/zinc/92/83/17/818928317.db2.gz SXHFOHPLGBEOJI-CQSZACIVSA-N 0 0 376.482 4.328 20 5 GIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000572664512 823378416 /nfs/dbraw/zinc/37/84/16/823378416.db2.gz KZBURNBXEOWLSX-UHFFFAOYSA-N 0 0 396.216 4.203 20 5 GIBDRN Cc1noc(COC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000023374758 818929951 /nfs/dbraw/zinc/92/99/51/818929951.db2.gz LROHIOGAAOVBNW-UHFFFAOYSA-N 0 0 385.401 4.103 20 5 GIBDRN Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000189202320 823375131 /nfs/dbraw/zinc/37/51/31/823375131.db2.gz IUPCSNAARDAHFI-UHFFFAOYSA-N 0 0 382.445 4.421 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000411095116 823544902 /nfs/dbraw/zinc/54/49/02/823544902.db2.gz MSQLUVXBCGHJHC-UHFFFAOYSA-N 0 0 390.509 4.129 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000410032689 823375255 /nfs/dbraw/zinc/37/52/55/823375255.db2.gz JPQREHKWQYKTOE-HNNXBMFYSA-N 0 0 379.416 4.071 20 5 GIBDRN Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C(C)C ZINC000023641139 818969103 /nfs/dbraw/zinc/96/91/03/818969103.db2.gz BTCWLELCRLPYMK-UHFFFAOYSA-N 0 0 393.827 4.043 20 5 GIBDRN Cc1cccc(-c2nc(CC(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cs2)c1 ZINC000122593242 823378284 /nfs/dbraw/zinc/37/82/84/823378284.db2.gz KMGYDJMHXAZFMX-UHFFFAOYSA-N 0 0 393.428 4.084 20 5 GIBDRN COc1cccc([C@H](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000177133296 823379191 /nfs/dbraw/zinc/37/91/91/823379191.db2.gz RHULFZVLIINBAR-LLVKDONJSA-N 0 0 380.347 4.337 20 5 GIBDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000460408324 823379316 /nfs/dbraw/zinc/37/93/16/823379316.db2.gz BIWSQEOYNSNWON-KRWDZBQOSA-N 0 0 386.448 4.014 20 5 GIBDRN CCCCOc1ccc(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000058378812 823383928 /nfs/dbraw/zinc/38/39/28/823383928.db2.gz FSAAOUWVKKENTQ-UHFFFAOYSA-N 0 0 381.432 4.228 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000024190933 819031551 /nfs/dbraw/zinc/03/15/51/819031551.db2.gz NXKSUXGSNMSOGX-INIZCTEOSA-N 0 0 399.516 4.334 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc(Br)cc2)CCC1 ZINC000024371188 819051601 /nfs/dbraw/zinc/05/16/01/819051601.db2.gz FMSDGXNTRNGGPP-UHFFFAOYSA-N 0 0 375.222 4.418 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000024423205 819056080 /nfs/dbraw/zinc/05/60/80/819056080.db2.gz TVNCSZBHBKRAPJ-UHFFFAOYSA-N 0 0 388.763 4.269 20 5 GIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000024466446 819060611 /nfs/dbraw/zinc/06/06/11/819060611.db2.gz IJORBRBYIDRKGP-UHFFFAOYSA-N 0 0 394.474 4.370 20 5 GIBDRN Cc1ccc(NC(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000122630778 823384615 /nfs/dbraw/zinc/38/46/15/823384615.db2.gz AEFKWPIRZZJECW-UHFFFAOYSA-N 0 0 390.827 4.015 20 5 GIBDRN CCSc1cccc(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000572697326 823385409 /nfs/dbraw/zinc/38/54/09/823385409.db2.gz OPEDOAPHKVUFMY-UHFFFAOYSA-N 0 0 398.488 4.230 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000122638751 823385896 /nfs/dbraw/zinc/38/58/96/823385896.db2.gz ZHFQZIRDJCACGY-AUUYWEPGSA-N 0 0 388.851 4.075 20 5 GIBDRN COc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1ccccc1)C2 ZINC000122659129 823389211 /nfs/dbraw/zinc/38/92/11/823389211.db2.gz QGWZCNPXHJZAND-SFHVURJKSA-N 0 0 378.384 4.136 20 5 GIBDRN O=C(N[C@H](CO)c1cccc(Cl)c1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000410096996 823389997 /nfs/dbraw/zinc/38/99/97/823389997.db2.gz UUOZUOYHPLLRSZ-CYBMUJFWSA-N 0 0 394.811 4.065 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000460464533 823398573 /nfs/dbraw/zinc/39/85/73/823398573.db2.gz HPBWQLOVYUGZQC-UHFFFAOYSA-N 0 0 387.823 4.326 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000460457660 823396132 /nfs/dbraw/zinc/39/61/32/823396132.db2.gz LZFNOTQXZDGBIX-UHFFFAOYSA-N 0 0 396.834 4.483 20 5 GIBDRN COc1ccc([C@H](C)CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000122696099 823396493 /nfs/dbraw/zinc/39/64/93/823396493.db2.gz KKDXFXFZYNBDHW-MRXNPFEDSA-N 0 0 397.475 4.471 20 5 GIBDRN CC[C@@H](C)[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000122700762 823397053 /nfs/dbraw/zinc/39/70/53/823397053.db2.gz 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GIBDRN C[C@@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000410225773 823425085 /nfs/dbraw/zinc/42/50/85/823425085.db2.gz VFFFITHHVZPOMG-SFHVURJKSA-N 0 0 384.479 4.465 20 5 GIBDRN COc1cccc(O[C@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000460541208 823425229 /nfs/dbraw/zinc/42/52/29/823425229.db2.gz BXQQEBDUZGNZCA-GFCCVEGCSA-N 0 0 386.429 4.015 20 5 GIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189479632 823426435 /nfs/dbraw/zinc/42/64/35/823426435.db2.gz KWIRARPBYLWJOJ-BTYIYWSLSA-N 0 0 388.439 4.027 20 5 GIBDRN C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C(=O)N1c1ccccc1 ZINC000460546332 823427001 /nfs/dbraw/zinc/42/70/01/823427001.db2.gz KKYGFJMTQPJLRD-KSFYIVLOSA-N 0 0 395.462 4.312 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])o1 ZINC000189486780 823428116 /nfs/dbraw/zinc/42/81/16/823428116.db2.gz JDKOKQYOFASWDE-GFCCVEGCSA-N 0 0 380.784 4.041 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000410242847 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CCOc1ccc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1[N+](=O)[O-] ZINC000026681496 820131265 /nfs/dbraw/zinc/13/12/65/820131265.db2.gz CGTYMNVPWKHBTO-ZDUSSCGKSA-N 0 0 397.387 4.270 20 5 GIBDRN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000026774880 820142143 /nfs/dbraw/zinc/14/21/43/820142143.db2.gz YMQPJMVXEKOQCL-JTQLQIEISA-N 0 0 388.367 4.190 20 5 GIBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1)C1CCC1 ZINC000026775090 820142358 /nfs/dbraw/zinc/14/23/58/820142358.db2.gz GIGJWPSSFGGXCO-UHFFFAOYSA-N 0 0 376.416 4.494 20 5 GIBDRN O=C(CNc1ccccc1-c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026781869 820143403 /nfs/dbraw/zinc/14/34/03/820143403.db2.gz GIBWTPAGTAZOEX-UHFFFAOYSA-N 0 0 391.383 4.041 20 5 GIBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2O1 ZINC000460614031 823456549 /nfs/dbraw/zinc/45/65/49/823456549.db2.gz UGRRDVWMKBMMQD-LBPRGKRZSA-N 0 0 391.221 4.175 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2 ZINC000026885714 820158631 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379.363 4.099 20 5 GIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000046612193 822492416 /nfs/dbraw/zinc/49/24/16/822492416.db2.gz GXTPMYOGFFBVHN-UHFFFAOYSA-N 0 0 393.399 4.111 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000454573846 822499086 /nfs/dbraw/zinc/49/90/86/822499086.db2.gz SFMUBNUVBFCYAF-KGLIPLIRSA-N 0 0 384.436 4.006 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000046652061 822499093 /nfs/dbraw/zinc/49/90/93/822499093.db2.gz SQWBTZWURYIIBP-UHFFFAOYSA-N 0 0 383.448 4.418 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 ZINC000454584081 822501139 /nfs/dbraw/zinc/50/11/39/822501139.db2.gz IMGVAVDEBCTKDW-MAUKXSAKSA-N 0 0 399.447 4.344 20 5 GIBDRN CCOc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000046668974 822501401 /nfs/dbraw/zinc/50/14/01/822501401.db2.gz LYVIYZNECGSDRR-UHFFFAOYSA-N 0 0 386.795 4.085 20 5 GIBDRN 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ZINC000454612535 822506195 /nfs/dbraw/zinc/50/61/95/822506195.db2.gz MXOZWBZOJNMCFT-FRFSOERESA-N 0 0 389.477 4.245 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000454615449 822506684 /nfs/dbraw/zinc/50/66/84/822506684.db2.gz PYFHHDDSPQUPLV-CWFSZBLJSA-N 0 0 383.448 4.184 20 5 GIBDRN COc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCCC(C)C ZINC000046724540 822510166 /nfs/dbraw/zinc/51/01/66/822510166.db2.gz USNSHSIRUPQBAB-UHFFFAOYSA-N 0 0 386.448 4.267 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000179600840 822510497 /nfs/dbraw/zinc/51/04/97/822510497.db2.gz HOMKKVFEKXGCPN-LJQANCHMSA-N 0 0 396.378 4.049 20 5 GIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2CCCc2ccccc2)s1 ZINC000179609602 822512188 /nfs/dbraw/zinc/51/21/88/822512188.db2.gz PTOZTRCZDQBIRU-HNNXBMFYSA-N 0 0 394.518 4.052 20 5 GIBDRN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000179618567 822514021 /nfs/dbraw/zinc/51/40/21/822514021.db2.gz 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C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000454753875 822528570 /nfs/dbraw/zinc/52/85/70/822528570.db2.gz FNYPGIPVLMBRQX-SJKOYZFVSA-N 0 0 375.375 4.481 20 5 GIBDRN Cc1csc([C@@H](C)CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000454788454 822534368 /nfs/dbraw/zinc/53/43/68/822534368.db2.gz UHZPSXDJMANBGO-XJKSGUPXSA-N 0 0 388.493 4.052 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000183920991 822546616 /nfs/dbraw/zinc/54/66/16/822546616.db2.gz MWHNSXVQJFZYCB-UHFFFAOYSA-N 0 0 396.472 4.415 20 5 GIBDRN COc1cc(C)c(Br)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000183934349 822549811 /nfs/dbraw/zinc/54/98/11/822549811.db2.gz ANUAQFIQBWZKIG-UHFFFAOYSA-N 0 0 379.210 4.235 20 5 GIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCCCC1(F)F ZINC000454891072 822551693 /nfs/dbraw/zinc/55/16/93/822551693.db2.gz NVSINRMNPXEDKV-LLVKDONJSA-N 0 0 395.328 4.238 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(N2CCCC2)c1 ZINC000047191928 822552961 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4.081 20 5 GIBDRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047277627 822561473 /nfs/dbraw/zinc/56/14/73/822561473.db2.gz NFTJBNYGMYVSDZ-UHFFFAOYSA-N 0 0 392.459 4.470 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000047278604 822561699 /nfs/dbraw/zinc/56/16/99/822561699.db2.gz RCIPCSZMFUVDSM-INIZCTEOSA-N 0 0 399.516 4.203 20 5 GIBDRN COc1c(F)cc(F)cc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454948953 822561947 /nfs/dbraw/zinc/56/19/47/822561947.db2.gz AMCOZETVRRZFFN-CYBMUJFWSA-N 0 0 391.374 4.293 20 5 GIBDRN O=C(Nc1cccc2c1OCCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454953212 822562544 /nfs/dbraw/zinc/56/25/44/822562544.db2.gz ICMVYCTWTYZLCZ-QGZVFWFLSA-N 0 0 381.432 4.331 20 5 GIBDRN Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2ccccc2)o1 ZINC000184023668 822566155 /nfs/dbraw/zinc/56/61/55/822566155.db2.gz GPDHUSJCWAYFJN-UHFFFAOYSA-N 0 0 389.314 4.412 20 5 GIBDRN 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HZZRXJRKAVNJMC-UHFFFAOYSA-N 0 0 392.502 4.185 20 5 GIBDRN COc1cccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000185701738 822811660 /nfs/dbraw/zinc/81/16/60/822811660.db2.gz PGUXJOUASOBRND-INIZCTEOSA-N 0 0 382.338 4.200 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000456518602 822812316 /nfs/dbraw/zinc/81/23/16/822812316.db2.gz VYIKLHYBCYAURZ-SHTZXODSSA-N 0 0 386.423 4.083 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(Br)cn3)n2)cc1 ZINC000052915780 822815604 /nfs/dbraw/zinc/81/56/04/822815604.db2.gz VLYRVHYGPPZXQG-UHFFFAOYSA-N 0 0 393.222 4.095 20 5 GIBDRN COc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000052927164 822815853 /nfs/dbraw/zinc/81/58/53/822815853.db2.gz HRJWYKSXQTVNCK-CQSZACIVSA-N 0 0 392.415 4.424 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052929968 822816076 /nfs/dbraw/zinc/81/60/76/822816076.db2.gz CRBBKDYEEYNJCZ-XHSDSOJGSA-N 0 0 382.464 4.281 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052936770 822816341 /nfs/dbraw/zinc/81/63/41/822816341.db2.gz XFPFZWPFAMJGSK-AWEZNQCLSA-N 0 0 394.406 4.232 20 5 GIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456565605 822816409 /nfs/dbraw/zinc/81/64/09/822816409.db2.gz NMIQGQXVHSCWQU-GOSISDBHSA-N 0 0 390.823 4.364 20 5 GIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456570650 822817195 /nfs/dbraw/zinc/81/71/95/822817195.db2.gz QVZWZWYQJHTQKR-OAHLLOKOSA-N 0 0 391.221 4.318 20 5 GIBDRN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)co2)cc1 ZINC000185750368 822817592 /nfs/dbraw/zinc/81/75/92/822817592.db2.gz RYJCOILKBSLKNJ-CQSZACIVSA-N 0 0 397.406 4.160 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(-c2ccccc2)no1 ZINC000052990028 822817736 /nfs/dbraw/zinc/81/77/36/822817736.db2.gz QNANOHBFVSOVER-CYBMUJFWSA-N 0 0 383.429 4.047 20 5 GIBDRN O=C(Nc1nc(C2CC2)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174657220 822819288 /nfs/dbraw/zinc/81/92/88/822819288.db2.gz SGBQKBYPISLNEY-UHFFFAOYSA-N 0 0 388.449 4.004 20 5 GIBDRN CN1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000456612719 822819544 /nfs/dbraw/zinc/81/95/44/822819544.db2.gz SEMSFELGBUVXJZ-HNNXBMFYSA-N 0 0 393.365 4.315 20 5 GIBDRN CC[C@H](NC(=O)c1cc(COc2ccccc2F)on1)c1cccc([N+](=O)[O-])c1 ZINC000185782687 822820700 /nfs/dbraw/zinc/82/07/00/822820700.db2.gz LXVMTRSPTYCOHN-KRWDZBQOSA-N 0 0 399.378 4.182 20 5 GIBDRN CCc1ccsc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000053152385 822823821 /nfs/dbraw/zinc/82/38/21/822823821.db2.gz XFEHNFHHHGOPHO-HNNXBMFYSA-N 0 0 390.461 4.032 20 5 GIBDRN CN(Cc1cc2ccccc2o1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000174691301 822823959 /nfs/dbraw/zinc/82/39/59/822823959.db2.gz LSTLDLKRWZKFHW-UHFFFAOYSA-N 0 0 379.416 4.213 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456702497 822824661 /nfs/dbraw/zinc/82/46/61/822824661.db2.gz WCUIGFLXEZNPMA-IBGZPJMESA-N 0 0 378.494 4.130 20 5 GIBDRN CCOC(=O)c1sc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1C ZINC000053252431 822827803 /nfs/dbraw/zinc/82/78/03/822827803.db2.gz SJXZTBAMUPFGJO-UHFFFAOYSA-N 0 0 380.447 4.116 20 5 GIBDRN COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000456789801 822831243 /nfs/dbraw/zinc/83/12/43/822831243.db2.gz ZUQCEANOLUOQBR-IAGOWNOFSA-N 0 0 398.459 4.316 20 5 GIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000185900332 822831435 /nfs/dbraw/zinc/83/14/35/822831435.db2.gz VREFKGNWCQVUHF-PBHICJAKSA-N 0 0 383.876 4.031 20 5 GIBDRN Cc1ccsc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053460817 822835910 /nfs/dbraw/zinc/83/59/10/822835910.db2.gz YQMYKURKECZDMP-CQSZACIVSA-N 0 0 396.472 4.463 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000053541322 822839860 /nfs/dbraw/zinc/83/98/60/822839860.db2.gz MXSJUBBFDUXYRT-HXUWFJFHSA-N 0 0 384.432 4.044 20 5 GIBDRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c(C)s1 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O=C(NCc1ccccc1[N+](=O)[O-])c1cc(-c2cccnc2)nc2ccccc21 ZINC000053857691 822851210 /nfs/dbraw/zinc/85/12/10/822851210.db2.gz SHTRRTKKBHALJD-UHFFFAOYSA-N 0 0 384.395 4.135 20 5 GIBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1csc([N+](=O)[O-])c1 ZINC000186098103 822851358 /nfs/dbraw/zinc/85/13/58/822851358.db2.gz NPSQMOWVDCXOJC-UHFFFAOYSA-N 0 0 384.801 4.220 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-])c1ccccn1 ZINC000174894087 822851915 /nfs/dbraw/zinc/85/19/15/822851915.db2.gz RBLIEIIFCYFXRY-GFCCVEGCSA-N 0 0 396.378 4.260 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2F)c1[N+](=O)[O-] ZINC000186132951 822854334 /nfs/dbraw/zinc/85/43/34/822854334.db2.gz MAWJVMZQHJVLBH-UHFFFAOYSA-N 0 0 386.408 4.202 20 5 GIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C)(CC(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000457137890 822856667 /nfs/dbraw/zinc/85/66/67/822856667.db2.gz ICTUPLMGYPEZTK-CYBMUJFWSA-N 0 0 399.413 4.246 20 5 GIBDRN CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1=CCCC1 ZINC000457175043 822859101 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COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000175025795 822870119 /nfs/dbraw/zinc/87/01/19/822870119.db2.gz QNPOVLFSTRLXKS-MNOVXSKESA-N 0 0 395.818 4.074 20 5 GIBDRN FC(F)(F)Cn1nnnc1SCc1nc2ccccc2c2ccccc12 ZINC000569023157 822870473 /nfs/dbraw/zinc/87/04/73/822870473.db2.gz OLFBBABNZKEMLO-UHFFFAOYSA-N 0 0 375.379 4.229 20 5 GIBDRN O=C(NCc1ccc(F)cc1Br)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054263823 822871749 /nfs/dbraw/zinc/87/17/49/822871749.db2.gz RVRHVOZYJDVJNP-UHFFFAOYSA-N 0 0 387.592 4.080 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000186297386 822872764 /nfs/dbraw/zinc/87/27/64/822872764.db2.gz YQRHPQGEHMDYAW-GFCCVEGCSA-N 0 0 383.173 4.067 20 5 GIBDRN Cc1ccc2c(c1)N(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@H](C)O2 ZINC000175044573 822873022 /nfs/dbraw/zinc/87/30/22/822873022.db2.gz RJRVWPVKGAKYSI-ZDUSSCGKSA-N 0 0 395.440 4.454 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000186335810 822877860 /nfs/dbraw/zinc/87/78/60/822877860.db2.gz CFYHYSNYVIXAAF-LLVKDONJSA-N 0 0 387.486 4.287 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1Br ZINC000186337891 822877978 /nfs/dbraw/zinc/87/79/78/822877978.db2.gz CETPBEYTBGCYBS-UHFFFAOYSA-N 0 0 387.592 4.080 20 5 GIBDRN CN(C(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1ccc([N+](=O)[O-])cc1 ZINC000175084786 822879491 /nfs/dbraw/zinc/87/94/91/822879491.db2.gz YTWPPUGOMMTICR-UHFFFAOYSA-N 0 0 377.322 4.382 20 5 GIBDRN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186352196 822880361 /nfs/dbraw/zinc/88/03/61/822880361.db2.gz KQSBYWWVUIZGSH-UHFFFAOYSA-N 0 0 385.807 4.071 20 5 GIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000569143764 822883384 /nfs/dbraw/zinc/88/33/84/822883384.db2.gz JIHKALLFSMYEFX-HXUWFJFHSA-N 0 0 394.431 4.012 20 5 GIBDRN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000054421272 822883607 /nfs/dbraw/zinc/88/36/07/822883607.db2.gz VMRHZXARZTZXBR-UHFFFAOYSA-N 0 0 390.421 4.130 20 5 GIBDRN O=C1c2ccccc2N[C@@H](c2csc([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 ZINC000054424502 822883673 /nfs/dbraw/zinc/88/36/73/822883673.db2.gz GTFYDESTSVXNLG-GOSISDBHSA-N 0 0 395.396 4.156 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)cs1 ZINC000054452415 822887209 /nfs/dbraw/zinc/88/72/09/822887209.db2.gz UQSHCGGNQDCFDE-UHFFFAOYSA-N 0 0 387.421 4.217 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC(F)(F)F)c1ccccn1 ZINC000175158727 822894285 /nfs/dbraw/zinc/89/42/85/822894285.db2.gz ANEQKPDBWGRVHK-UHFFFAOYSA-N 0 0 393.243 4.218 20 5 GIBDRN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)nn21 ZINC000569274116 822899485 /nfs/dbraw/zinc/89/94/85/822899485.db2.gz AMDBRFZJDYHXHG-CYBMUJFWSA-N 0 0 391.353 4.040 20 5 GIBDRN CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000175185582 822900260 /nfs/dbraw/zinc/90/02/60/822900260.db2.gz YFCWKAMKOOASNN-ZDUSSCGKSA-N 0 0 398.341 4.001 20 5 GIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000186483627 822902617 /nfs/dbraw/zinc/90/26/17/822902617.db2.gz URBVXXAVJJHDRD-LBPRGKRZSA-N 0 0 381.226 4.044 20 5 GIBDRN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C(=O)OC ZINC000175213172 822905954 /nfs/dbraw/zinc/90/59/54/822905954.db2.gz GERZRYGQZFZQEN-UHFFFAOYSA-N 0 0 396.321 4.067 20 5 GIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186519482 822907588 /nfs/dbraw/zinc/90/75/88/822907588.db2.gz HHUCSQCAOKHMKC-UHFFFAOYSA-N 0 0 393.443 4.193 20 5 GIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186527476 822908806 /nfs/dbraw/zinc/90/88/06/822908806.db2.gz FVTGAIXFPBXHFR-APPDUMDISA-N 0 0 394.880 4.476 20 5 GIBDRN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC(C)C ZINC000054774942 822911521 /nfs/dbraw/zinc/91/15/21/822911521.db2.gz JUWGWFPWHAYGNB-LBPRGKRZSA-N 0 0 376.384 4.021 20 5 GIBDRN Cn1c2ccccc2nc1C(C)(C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186572260 822915573 /nfs/dbraw/zinc/91/55/73/822915573.db2.gz OIVYVNMJDPZVQD-UHFFFAOYSA-N 0 0 391.431 4.161 20 5 GIBDRN CCS[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000175261453 822918000 /nfs/dbraw/zinc/91/80/00/822918000.db2.gz FULPYVPCFFKJHV-NQIIRXRSSA-N 0 0 394.540 4.335 20 5 GIBDRN CCCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 ZINC000054912118 822921227 /nfs/dbraw/zinc/92/12/27/822921227.db2.gz NIWNZORPNRNSBF-UHFFFAOYSA-N 0 0 399.476 4.220 20 5 GIBDRN Cn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F ZINC000054913485 822921375 /nfs/dbraw/zinc/92/13/75/822921375.db2.gz VQUZHSDVFRVWSS-UHFFFAOYSA-N 0 0 388.424 4.091 20 5 GIBDRN Cn1ccnc1Sc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175293699 822926897 /nfs/dbraw/zinc/92/68/97/822926897.db2.gz GKUDNTJWHIMZTQ-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000175307879 822931103 /nfs/dbraw/zinc/93/11/03/822931103.db2.gz KOLHFHYQPUZMQU-LLVKDONJSA-N 0 0 377.347 4.175 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cscc3Br)n2)c1 ZINC000569530819 822935335 /nfs/dbraw/zinc/93/53/35/822935335.db2.gz UFVBKLJAUUGYKM-UHFFFAOYSA-N 0 0 396.222 4.068 20 5 GIBDRN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457934114 822939444 /nfs/dbraw/zinc/93/94/44/822939444.db2.gz SOVUGEJSGAHARN-VIFPVBQESA-N 0 0 397.909 4.163 20 5 GIBDRN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000055152513 822941432 /nfs/dbraw/zinc/94/14/32/822941432.db2.gz VPOYGPPGFLLTGL-NEPJUHHUSA-N 0 0 386.383 4.204 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccccc1OCC(C)C ZINC000055154546 822941915 /nfs/dbraw/zinc/94/19/15/822941915.db2.gz KWGHOKRIPWQKHG-CQSZACIVSA-N 0 0 387.436 4.077 20 5 GIBDRN C[C@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000186719758 822944156 /nfs/dbraw/zinc/94/41/56/822944156.db2.gz YSZCJACZNPCMMS-LRDDRELGSA-N 0 0 381.354 4.301 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000569630455 822947377 /nfs/dbraw/zinc/94/73/77/822947377.db2.gz UIYBSYJGGVUFTG-QFBILLFUSA-N 0 0 387.411 4.338 20 5 GIBDRN CN(CC1(c2ccccc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186750562 822949561 /nfs/dbraw/zinc/94/95/61/822949561.db2.gz VOEWEFBFPIFQTA-UHFFFAOYSA-N 0 0 376.359 4.000 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)o1 ZINC000175384686 822953978 /nfs/dbraw/zinc/95/39/78/822953978.db2.gz UOTGWIYYGUWZGL-UHFFFAOYSA-N 0 0 386.795 4.042 20 5 GIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458082416 822956266 /nfs/dbraw/zinc/95/62/66/822956266.db2.gz HPCXBBNXZHQQSP-RTBURBONSA-N 0 0 390.443 4.189 20 5 GIBDRN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1)c1ccccc1 ZINC000055406907 822958360 /nfs/dbraw/zinc/95/83/60/822958360.db2.gz GZHPYHMUWCZPGT-UHFFFAOYSA-N 0 0 379.347 4.239 20 5 GIBDRN Cc1nn(CCC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000458125173 822960333 /nfs/dbraw/zinc/96/03/33/822960333.db2.gz KYXZAGVWYXMUEI-OAQYLSRUSA-N 0 0 396.491 4.332 20 5 GIBDRN CCCC1CCC(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000055433105 822962576 /nfs/dbraw/zinc/96/25/76/822962576.db2.gz AIHOGJMBCGCPGX-UHFFFAOYSA-N 0 0 386.395 4.294 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415782 822963828 /nfs/dbraw/zinc/96/38/28/822963828.db2.gz ZVBWIGGEOAAFGX-LAUBAEHRSA-N 0 0 397.475 4.089 20 5 GIBDRN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])n2)cc1 ZINC000569755896 822964066 /nfs/dbraw/zinc/96/40/66/822964066.db2.gz ZJJIPHZWIMURDG-UHFFFAOYSA-N 0 0 397.460 4.076 20 5 GIBDRN CC(C)[C@H]1N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000458170625 822964822 /nfs/dbraw/zinc/96/48/22/822964822.db2.gz FYCWVHOHJCPFER-LJQANCHMSA-N 0 0 383.448 4.280 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000458186879 822966436 /nfs/dbraw/zinc/96/64/36/822966436.db2.gz XDWGMYCLZVTADJ-UHFFFAOYSA-N 0 0 378.828 4.280 20 5 GIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055465341 822966822 /nfs/dbraw/zinc/96/68/22/822966822.db2.gz QNICYWPAQKONQW-ZDUSSCGKSA-N 0 0 393.447 4.289 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175434964 822968080 /nfs/dbraw/zinc/96/80/80/822968080.db2.gz HZZAQAUFMLSEMG-LEWJYISDSA-N 0 0 392.524 4.041 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1[N+](=O)[O-] ZINC000186899980 822976790 /nfs/dbraw/zinc/97/67/90/822976790.db2.gz MYONXBJMWVZUBE-UHFFFAOYSA-N 0 0 382.445 4.333 20 5 GIBDRN CCCC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000055549941 822977096 /nfs/dbraw/zinc/97/70/96/822977096.db2.gz ARGUPIBFXSHJQM-ZDUSSCGKSA-N 0 0 387.461 4.453 20 5 GIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1ccn(C)n1 ZINC000458282180 822977646 /nfs/dbraw/zinc/97/76/46/822977646.db2.gz YXIABSRHQYRSFP-CYBMUJFWSA-N 0 0 388.493 4.102 20 5 GIBDRN CC(C)COC[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000175479393 822978930 /nfs/dbraw/zinc/97/89/30/822978930.db2.gz PEBBZIIJUOLLNF-QGZVFWFLSA-N 0 0 389.452 4.136 20 5 GIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)sc1Cc1ccccc1F ZINC000055580357 822981859 /nfs/dbraw/zinc/98/18/59/822981859.db2.gz LCADONPKWYLKNX-UHFFFAOYSA-N 0 0 389.383 4.481 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000186928115 822981873 /nfs/dbraw/zinc/98/18/73/822981873.db2.gz ZLKNZANYGYEYME-UHFFFAOYSA-N 0 0 380.404 4.456 20 5 GIBDRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175500943 822984633 /nfs/dbraw/zinc/98/46/33/822984633.db2.gz XDKOKGCJWICXIB-GFCCVEGCSA-N 0 0 377.238 4.108 20 5 GIBDRN CCCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055594595 822984657 /nfs/dbraw/zinc/98/46/57/822984657.db2.gz WUZCYIQOAXVUCB-UHFFFAOYSA-N 0 0 394.811 4.307 20 5 GIBDRN C[C@@H](Nc1ccc2c(c1)C(=O)CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175515076 822988578 /nfs/dbraw/zinc/98/85/78/822988578.db2.gz HJQCTBYXKWOIMG-GFCCVEGCSA-N 0 0 378.388 4.337 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc([N+](=O)[O-])c1C ZINC000569959342 822989948 /nfs/dbraw/zinc/98/99/48/822989948.db2.gz GYTZNQWJWCYZPM-UHFFFAOYSA-N 0 0 379.372 4.351 20 5 GIBDRN C[C@@H](Nc1ccc2c(c1)C(=O)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000175520347 822989999 /nfs/dbraw/zinc/98/99/99/822989999.db2.gz XFGRCNQBGFVUKS-LLVKDONJSA-N 0 0 387.823 4.206 20 5 GIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000569958741 822990054 /nfs/dbraw/zinc/99/00/54/822990054.db2.gz OBAGFFLPJVBDII-UHFFFAOYSA-N 0 0 396.230 4.179 20 5 GIBDRN Cc1cccc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] ZINC000055644706 822991230 /nfs/dbraw/zinc/99/12/30/822991230.db2.gz MWLKOHSXVBDUJG-MRXNPFEDSA-N 0 0 391.427 4.368 20 5 GIBDRN CCOc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Cl)c1O ZINC000186980399 822991529 /nfs/dbraw/zinc/99/15/29/822991529.db2.gz XTCMGSIUQLECIY-UHFFFAOYSA-N 0 0 390.823 4.157 20 5 GIBDRN CCCOc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175529452 822991696 /nfs/dbraw/zinc/99/16/96/822991696.db2.gz DEUWAEPSSUBHCL-UHFFFAOYSA-N 0 0 379.210 4.398 20 5 GIBDRN C[C@H](Nc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000186997752 822994367 /nfs/dbraw/zinc/99/43/67/822994367.db2.gz XFYGYCRMJXXFFX-ZDUSSCGKSA-N 0 0 378.388 4.121 20 5 GIBDRN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175544860 822994544 /nfs/dbraw/zinc/99/45/44/822994544.db2.gz DYKRWYARABTEHI-UHFFFAOYSA-N 0 0 393.222 4.061 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([N+](=O)[O-])c(C)s4)CC3)c2c1 ZINC000055681651 822998264 /nfs/dbraw/zinc/99/82/64/822998264.db2.gz RZLHITKEPFSMJP-UHFFFAOYSA-N 0 0 399.472 4.474 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000570046964 823000420 /nfs/dbraw/zinc/00/04/20/823000420.db2.gz OPDLPVRXSHIMRB-AUUYWEPGSA-N 0 0 386.473 4.167 20 5 GIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2F)n1 ZINC000055716733 823002505 /nfs/dbraw/zinc/00/25/05/823002505.db2.gz KWNGBGHLJPTKEO-UHFFFAOYSA-N 0 0 388.786 4.442 20 5 GIBDRN CC(C)Oc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175608814 823006014 /nfs/dbraw/zinc/00/60/14/823006014.db2.gz AIKGTNQXSJWZHV-UHFFFAOYSA-N 0 0 379.210 4.397 20 5 GIBDRN CCCOc1cc(NC(=O)c2oc(C)nc2C)c([N+](=O)[O-])cc1OCCC ZINC000175614789 823006916 /nfs/dbraw/zinc/00/69/16/823006916.db2.gz CNIQYPMXLHNKEK-UHFFFAOYSA-N 0 0 377.397 4.030 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@@H]1C ZINC000570120227 823007484 /nfs/dbraw/zinc/00/74/84/823007484.db2.gz PWHLOXWVRITYJC-VBKZILBWSA-N 0 0 395.459 4.272 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000175620995 823008169 /nfs/dbraw/zinc/00/81/69/823008169.db2.gz NYZOLFDXJUZBCK-ZDUSSCGKSA-N 0 0 386.408 4.107 20 5 GIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000187084520 823008420 /nfs/dbraw/zinc/00/84/20/823008420.db2.gz KBZDIMTWFWVJIY-CQSZACIVSA-N 0 0 386.473 4.175 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2csc(N3CCC[C@@H](OCC(F)(F)F)C3)n2)cc1 ZINC000570129343 823008648 /nfs/dbraw/zinc/00/86/48/823008648.db2.gz PHWCEMYCYIJBJE-CYBMUJFWSA-N 0 0 387.383 4.266 20 5 GIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cc2ccc(Cl)c(F)c2)n1 ZINC000570151790 823010768 /nfs/dbraw/zinc/01/07/68/823010768.db2.gz DVTRHYRGONJXBX-UHFFFAOYSA-N 0 0 376.775 4.016 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000570201677 823014781 /nfs/dbraw/zinc/01/47/81/823014781.db2.gz BNYWFDNPHGPBJT-UHFFFAOYSA-N 0 0 384.436 4.020 20 5 GIBDRN O=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000175664484 823015659 /nfs/dbraw/zinc/01/56/59/823015659.db2.gz GKTBRTPWTKINLK-UHFFFAOYSA-N 0 0 399.204 4.067 20 5 GIBDRN Cc1nc(NC(=O)c2cccnc2SCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000175683167 823019715 /nfs/dbraw/zinc/01/97/15/823019715.db2.gz BSROXMKOTZWDJH-UHFFFAOYSA-N 0 0 398.419 4.377 20 5 GIBDRN C[C@@H](c1ccco1)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000175683958 823019806 /nfs/dbraw/zinc/01/98/06/823019806.db2.gz CJFKWYSFTZRMTR-JTQLQIEISA-N 0 0 379.210 4.316 20 5 GIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000187197254 823023746 /nfs/dbraw/zinc/02/37/46/823023746.db2.gz AWGILIAVYZXBDN-UHFFFAOYSA-N 0 0 388.786 4.193 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000570324371 823025846 /nfs/dbraw/zinc/02/58/46/823025846.db2.gz LNPMZSOFXOZJJI-JTQLQIEISA-N 0 0 381.201 4.296 20 5 GIBDRN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000175716934 823026306 /nfs/dbraw/zinc/02/63/06/823026306.db2.gz PJVZLYLBKBIWND-QMMMGPOBSA-N 0 0 390.264 4.263 20 5 GIBDRN CNC(=O)c1ccc(N[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000175731553 823028256 /nfs/dbraw/zinc/02/82/56/823028256.db2.gz ACTAMVIILWFODX-JTQLQIEISA-N 0 0 383.326 4.026 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c1[N+](=O)[O-] ZINC000175735008 823029125 /nfs/dbraw/zinc/02/91/25/823029125.db2.gz IVXBSKRHKRWQAM-UHFFFAOYSA-N 0 0 393.802 4.086 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000570385224 823032127 /nfs/dbraw/zinc/03/21/27/823032127.db2.gz TXLQQOIWVJYMDT-LSDHHAIUSA-N 0 0 386.448 4.373 20 5 GIBDRN Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000055728490 823033495 /nfs/dbraw/zinc/03/34/95/823033495.db2.gz QULZYKUCNILRPE-UHFFFAOYSA-N 0 0 389.411 4.432 20 5 GIBDRN C[C@H](Nc1ccc(-c2nc(-c3ccn(C)c3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000570435820 823037934 /nfs/dbraw/zinc/03/79/34/823037934.db2.gz RBWQRRGFWSXARG-ZDUSSCGKSA-N 0 0 390.403 4.218 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000055754829 823038135 /nfs/dbraw/zinc/03/81/35/823038135.db2.gz NAWCSEWHJRSKQD-LBPRGKRZSA-N 0 0 387.461 4.232 20 5 GIBDRN CCOc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000055767979 823040771 /nfs/dbraw/zinc/04/07/71/823040771.db2.gz NLECSFDYNSKIJM-UHFFFAOYSA-N 0 0 394.431 4.107 20 5 GIBDRN COc1ccc(OC)c(CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000570465826 823041518 /nfs/dbraw/zinc/04/15/18/823041518.db2.gz PDNXPAIGKWFUPS-UHFFFAOYSA-N 0 0 390.411 4.192 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000055771284 823041954 /nfs/dbraw/zinc/04/19/54/823041954.db2.gz WMFJJPIMTIMAQU-UHFFFAOYSA-N 0 0 393.374 4.167 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000055785793 823044504 /nfs/dbraw/zinc/04/45/04/823044504.db2.gz QWTAFZOLASJMLX-ZDUSSCGKSA-N 0 0 381.251 4.396 20 5 GIBDRN CS[C@@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C1 ZINC000460917436 823541786 /nfs/dbraw/zinc/54/17/86/823541786.db2.gz KJOBTJJFDBMEBJ-QGZVFWFLSA-N 0 0 389.525 4.231 20 5 GIBDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411109848 823548084 /nfs/dbraw/zinc/54/80/84/823548084.db2.gz GXKKJFNDGWBRLG-LLVKDONJSA-N 0 0 384.329 4.456 20 5 GIBDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411110703 823548235 /nfs/dbraw/zinc/54/82/35/823548235.db2.gz IGHXVXQTZZKSTE-NSHDSACASA-N 0 0 384.329 4.456 20 5 GIBDRN CCC[C@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000411121962 823549765 /nfs/dbraw/zinc/54/97/65/823549765.db2.gz MRPDBTHDHIMZGI-ZDUSSCGKSA-N 0 0 386.395 4.294 20 5 GIBDRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123904718 823550504 /nfs/dbraw/zinc/55/05/04/823550504.db2.gz FSIVEPUADDXKTJ-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN O=C(NCc1csc(-c2ccco2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000123927468 823552396 /nfs/dbraw/zinc/55/23/96/823552396.db2.gz KIYVLDLBIKMUFS-UHFFFAOYSA-N 0 0 398.444 4.186 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000460982391 823555522 /nfs/dbraw/zinc/55/55/22/823555522.db2.gz QSWBHWRPIOKRLJ-FQEVSTJZSA-N 0 0 379.460 4.468 20 5 GIBDRN CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCc2ccccc21 ZINC000411200487 823556969 /nfs/dbraw/zinc/55/69/69/823556969.db2.gz ILWUEHCHBNNJFL-IBGZPJMESA-N 0 0 395.459 4.076 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411223631 823558465 /nfs/dbraw/zinc/55/84/65/823558465.db2.gz YGCMYOWRIKGWPP-PWRODBHTSA-N 0 0 380.444 4.461 20 5 GIBDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411226162 823558813 /nfs/dbraw/zinc/55/88/13/823558813.db2.gz HVAQEEQDECBBQZ-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(C3CCCCC3)n2)c1 ZINC000060805906 823559057 /nfs/dbraw/zinc/55/90/57/823559057.db2.gz OMMVKLPTBLLZKP-UHFFFAOYSA-N 0 0 376.434 4.465 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000411232537 823559221 /nfs/dbraw/zinc/55/92/21/823559221.db2.gz ZYEQQZXWRMKUJU-UHFFFAOYSA-N 0 0 396.443 4.117 20 5 GIBDRN O=c1c2sc(-c3ccccc3)cc2ncn1CCOc1ccccc1[N+](=O)[O-] ZINC000060815926 823559427 /nfs/dbraw/zinc/55/94/27/823559427.db2.gz ZKPWVQKCXWLHTJ-UHFFFAOYSA-N 0 0 393.424 4.112 20 5 GIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1C(F)(F)F ZINC000060859590 823563021 /nfs/dbraw/zinc/56/30/21/823563021.db2.gz 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382.395 4.279 20 5 GIBDRN O=C(CCc1ccc(-c2ccccc2F)o1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064777587 823884046 /nfs/dbraw/zinc/88/40/46/823884046.db2.gz MTDUTIRNEQLBAW-UHFFFAOYSA-N 0 0 382.391 4.285 20 5 GIBDRN O=C(CCOc1cccc(Cl)c1Cl)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064778981 823884622 /nfs/dbraw/zinc/88/46/22/823884622.db2.gz RLYFXUYWEPHVSM-UHFFFAOYSA-N 0 0 383.231 4.029 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ccccc2F)n1 ZINC000064783449 823885985 /nfs/dbraw/zinc/88/59/85/823885985.db2.gz VCMASBXKVJQBLF-UHFFFAOYSA-N 0 0 379.319 4.388 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCc2cc(F)ccc21 ZINC000064784763 823886264 /nfs/dbraw/zinc/88/62/64/823886264.db2.gz FFJSDUUGJWBQGQ-NSHDSACASA-N 0 0 378.787 4.134 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCSCc1cccc2ccccc21 ZINC000064821253 823891530 /nfs/dbraw/zinc/89/15/30/823891530.db2.gz OLNOLYNCXVZKCT-UHFFFAOYSA-N 0 0 396.468 4.420 20 5 GIBDRN CC(C)[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000064877043 823905160 /nfs/dbraw/zinc/90/51/60/823905160.db2.gz ZMIQGQBKWJJIRR-IBGZPJMESA-N 0 0 392.459 4.165 20 5 GIBDRN O=C(N[C@H]1CCc2ccccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064896626 823907387 /nfs/dbraw/zinc/90/73/87/823907387.db2.gz WGRSNOAVGFKTRP-INIZCTEOSA-N 0 0 379.441 4.006 20 5 GIBDRN CCOC(=O)c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000064897619 823907831 /nfs/dbraw/zinc/90/78/31/823907831.db2.gz RJRSDRMZSFFIDV-UHFFFAOYSA-N 0 0 397.412 4.147 20 5 GIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(c2cccc(Cl)c2)CC1 ZINC000575096342 823911062 /nfs/dbraw/zinc/91/10/62/823911062.db2.gz MHYHMFVQBKPCOY-UHFFFAOYSA-N 0 0 395.850 4.337 20 5 GIBDRN O=C(NCc1cc2ccccc2o1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064917367 823912070 /nfs/dbraw/zinc/91/20/70/823912070.db2.gz SRJGVKSIHYVYIN-UHFFFAOYSA-N 0 0 379.397 4.395 20 5 GIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2cc(Cl)ccc2C1 ZINC000192242356 823913914 /nfs/dbraw/zinc/91/39/14/823913914.db2.gz RFLKDXXWXSHHRK-LBPRGKRZSA-N 0 0 384.823 4.418 20 5 GIBDRN CC(C)C[C@@H](CCO)CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000126661227 823921833 /nfs/dbraw/zinc/92/18/33/823921833.db2.gz LXCPPUDUJGGGSF-OAHLLOKOSA-N 0 0 394.537 4.404 20 5 GIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3csc(-c4ccccc4)n3)cc2N1 ZINC000170639374 823923971 /nfs/dbraw/zinc/92/39/71/823923971.db2.gz SSJMFYSMUVYBII-UHFFFAOYSA-N 0 0 380.429 4.215 20 5 GIBDRN CC(C)S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000575153493 823925344 /nfs/dbraw/zinc/92/53/44/823925344.db2.gz ZWHWFTQUCJVOAW-UHFFFAOYSA-N 0 0 386.832 4.132 20 5 GIBDRN CCNc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000065023259 823926593 /nfs/dbraw/zinc/92/65/93/823926593.db2.gz XYULMLIJXJUEHI-UHFFFAOYSA-N 0 0 378.388 4.466 20 5 GIBDRN Cc1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1-c1c[nH]c2ncccc12 ZINC000126688967 823927292 /nfs/dbraw/zinc/92/72/92/823927292.db2.gz OJFWUHRDJCCUPP-UHFFFAOYSA-N 0 0 393.428 4.464 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000065065424 823933564 /nfs/dbraw/zinc/93/35/64/823933564.db2.gz IAUQQANAEZPOMP-UHFFFAOYSA-N 0 0 388.383 4.222 20 5 GIBDRN C[C@H]1C[C@H](c2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000575220028 823943453 /nfs/dbraw/zinc/94/34/53/823943453.db2.gz VZCCMJGUHDGHEI-DOTOQJQBSA-N 0 0 377.448 4.163 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462370995 823945819 /nfs/dbraw/zinc/94/58/19/823945819.db2.gz OQRRAKXZRRTOCJ-CTYIDZIISA-N 0 0 389.249 4.342 20 5 GIBDRN Cc1ccc(-c2nnc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)s2)c(C)c1 ZINC000065123810 823948081 /nfs/dbraw/zinc/94/80/81/823948081.db2.gz HCHSSXQBHMGUBR-UHFFFAOYSA-N 0 0 393.428 4.464 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000065124197 823948455 /nfs/dbraw/zinc/94/84/55/823948455.db2.gz BGUFXZJUTBHCQQ-UHFFFAOYSA-N 0 0 380.425 4.188 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ccc(-n3ccnc3)c(F)c2)c(Br)c1 ZINC000462388750 823955236 /nfs/dbraw/zinc/95/52/36/823955236.db2.gz LQRUBCJSBSBMKF-UHFFFAOYSA-N 0 0 391.200 4.294 20 5 GIBDRN Cn1c(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)ccc1[N+](=O)[O-] ZINC000462388478 823955254 /nfs/dbraw/zinc/95/52/54/823955254.db2.gz OOBNLWNBXGXEGG-UHFFFAOYSA-N 0 0 382.247 4.260 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000462391339 823957295 /nfs/dbraw/zinc/95/72/95/823957295.db2.gz HTASRJQYUSSCEL-MRXNPFEDSA-N 0 0 392.402 4.424 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2c(cc3ccccc32)C1 ZINC000462400849 823960074 /nfs/dbraw/zinc/96/00/74/823960074.db2.gz IHMGHIBKEJOZGX-AWEZNQCLSA-N 0 0 381.457 4.073 20 5 GIBDRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000462399959 823960134 /nfs/dbraw/zinc/96/01/34/823960134.db2.gz FAYCHTAQSNJVLC-BBRMVZONSA-N 0 0 394.880 4.063 20 5 GIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(Br)c1F ZINC000192380899 823966279 /nfs/dbraw/zinc/96/62/79/823966279.db2.gz QJJJWVHJVNLYGL-UHFFFAOYSA-N 0 0 390.168 4.297 20 5 GIBDRN O=C(CCc1cncc2ccccc21)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000462415577 823966353 /nfs/dbraw/zinc/96/63/53/823966353.db2.gz HLPJJHVYCRZLHN-UHFFFAOYSA-N 0 0 387.342 4.316 20 5 GIBDRN CCc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000414390147 823971616 /nfs/dbraw/zinc/97/16/16/823971616.db2.gz VQYIICSRUWXVPN-UHFFFAOYSA-N 0 0 388.367 4.001 20 5 GIBDRN CC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000170816142 823978425 /nfs/dbraw/zinc/97/84/25/823978425.db2.gz QWHOHPSBGQKMPJ-CYBMUJFWSA-N 0 0 377.238 4.108 20 5 GIBDRN Cn1ccnc1[C@H](NCc1ccc2sccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000575625429 823979342 /nfs/dbraw/zinc/97/93/42/823979342.db2.gz OIPRHEJMTHFLBK-LJQANCHMSA-N 0 0 378.457 4.422 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c1 ZINC000414488042 823993573 /nfs/dbraw/zinc/99/35/73/823993573.db2.gz QCCCLYNARZVCPV-RTBURBONSA-N 0 0 381.457 4.026 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCCC3)cc1SC ZINC000170863804 823993802 /nfs/dbraw/zinc/99/38/02/823993802.db2.gz CABZLYNCGAOZCD-UHFFFAOYSA-N 0 0 393.490 4.303 20 5 GIBDRN C[C@H](C(=O)Nc1cc(Br)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000575818152 824002863 /nfs/dbraw/zinc/00/28/63/824002863.db2.gz HKEGDINSPLQFRD-QMMMGPOBSA-N 0 0 385.164 4.378 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1nc2cc(Cl)ccc2s1 ZINC000575823248 824004141 /nfs/dbraw/zinc/00/41/41/824004141.db2.gz WBWISJVXZWURAS-UHFFFAOYSA-N 0 0 393.877 4.266 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](c4cccc(F)c4)C3)o2)c1 ZINC000170917139 824004582 /nfs/dbraw/zinc/00/45/82/824004582.db2.gz CKZHWVNDCNRRBN-FQEVSTJZSA-N 0 0 397.406 4.005 20 5 GIBDRN CCc1ccc([C@@H](NCc2ncccc2N(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000575840916 824009911 /nfs/dbraw/zinc/00/99/11/824009911.db2.gz GHZNGUJURJAQDC-NRFANRHFSA-N 0 0 380.448 4.090 20 5 GIBDRN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C ZINC000127084276 824014234 /nfs/dbraw/zinc/01/42/34/824014234.db2.gz XIZXPZSLOCDDAO-UHFFFAOYSA-N 0 0 377.194 4.121 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccccn2)cc1 ZINC000192512792 824016293 /nfs/dbraw/zinc/01/62/93/824016293.db2.gz LVYHZULLXPGWQR-CQSZACIVSA-N 0 0 393.399 4.282 20 5 GIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000127103825 824017884 /nfs/dbraw/zinc/01/78/84/824017884.db2.gz RWAZXTHIGSWDDJ-IERDGZPVSA-N 0 0 391.427 4.041 20 5 GIBDRN Cc1ncc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)o1 ZINC000192538681 824024804 /nfs/dbraw/zinc/02/48/04/824024804.db2.gz NYCCEIGVDNUYAM-UHFFFAOYSA-N 0 0 382.332 4.027 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2cccc(F)c2Cl)cc1[N+](=O)[O-] ZINC000575908425 824026432 /nfs/dbraw/zinc/02/64/32/824026432.db2.gz XWBPDIWUXIFVDS-UHFFFAOYSA-N 0 0 384.816 4.268 20 5 GIBDRN Cc1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)sc1C(F)(F)F ZINC000575944498 824033859 /nfs/dbraw/zinc/03/38/59/824033859.db2.gz INAGWHSCQUOPQO-LURJTMIESA-N 0 0 377.319 4.260 20 5 GIBDRN COc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1OCc1ccncc1 ZINC000192598165 824041817 /nfs/dbraw/zinc/04/18/17/824041817.db2.gz KOGMQIYOLQWNTP-UHFFFAOYSA-N 0 0 393.399 4.138 20 5 GIBDRN Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000575974754 824042405 /nfs/dbraw/zinc/04/24/05/824042405.db2.gz MLIHMHBKXMNECF-CYBMUJFWSA-N 0 0 382.445 4.472 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000192609895 824044890 /nfs/dbraw/zinc/04/48/90/824044890.db2.gz HADLINZRINBSKT-UHFFFAOYSA-N 0 0 398.322 4.059 20 5 GIBDRN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N2 ZINC000171048412 824047376 /nfs/dbraw/zinc/04/73/76/824047376.db2.gz FSNOYYFAPDHXBY-IBGZPJMESA-N 0 0 379.372 4.060 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2nccs2)cc1 ZINC000171050390 824047824 /nfs/dbraw/zinc/04/78/24/824047824.db2.gz WCMKJOXSXYAZLL-UHFFFAOYSA-N 0 0 391.456 4.194 20 5 GIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000192637683 824052900 /nfs/dbraw/zinc/05/29/00/824052900.db2.gz INNWAKRPVUODPW-UHFFFAOYSA-N 0 0 389.839 4.291 20 5 GIBDRN Cn1ccnc1[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000192641938 824054372 /nfs/dbraw/zinc/05/43/72/824054372.db2.gz QLHULVICDACWSJ-PMACEKPBSA-N 0 0 380.423 4.224 20 5 GIBDRN O=C(c1cc(NC[C@H]2CC[C@@H](c3ccccc3)O2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000576038538 824055745 /nfs/dbraw/zinc/05/57/45/824055745.db2.gz ZSXVPHMAIUPMNB-NQIIRXRSSA-N 0 0 395.459 4.163 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccnc1OCC(F)(F)F)CCC2 ZINC000192651780 824056048 /nfs/dbraw/zinc/05/60/48/824056048.db2.gz SUPTXGDECQKUIR-INIZCTEOSA-N 0 0 381.354 4.098 20 5 GIBDRN CCc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000005341783 204126648 /nfs/dbraw/zinc/12/66/48/204126648.db2.gz AOKVEXRYZDHPPV-UHFFFAOYSA-N 0 0 378.432 4.271 20 5 GIBDRN CC(C)CNC(=O)[C@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000007098597 204232208 /nfs/dbraw/zinc/23/22/08/204232208.db2.gz ONBKFANGQJXGOL-AWEZNQCLSA-N 0 0 378.501 4.289 20 5 GIBDRN CC(C)CNC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000007098592 204232782 /nfs/dbraw/zinc/23/27/82/204232782.db2.gz ONBKFANGQJXGOL-CQSZACIVSA-N 0 0 378.501 4.289 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000007418374 204241285 /nfs/dbraw/zinc/24/12/85/204241285.db2.gz DAIVTLFGDZADLE-UHFFFAOYSA-N 0 0 379.196 4.150 20 5 GIBDRN O=C(CSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000008773295 204289938 /nfs/dbraw/zinc/28/99/38/204289938.db2.gz UDSDLMKFKUUOQL-UHFFFAOYSA-N 0 0 385.214 4.227 20 5 GIBDRN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000010446519 204334326 /nfs/dbraw/zinc/33/43/26/204334326.db2.gz FDJBCJLEUVCGEM-UHFFFAOYSA-N 0 0 392.692 4.424 20 5 GIBDRN Cc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000010461648 204335684 /nfs/dbraw/zinc/33/56/84/204335684.db2.gz QYDJWXBEUIPLLK-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccn1 ZINC000021894040 204769554 /nfs/dbraw/zinc/76/95/54/204769554.db2.gz IQXUXIYLARNUBM-UHFFFAOYSA-N 0 0 399.410 4.024 20 5 GIBDRN Cc1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 ZINC000045040856 205093213 /nfs/dbraw/zinc/09/32/13/205093213.db2.gz WHWOFNUTAIRGFQ-UHFFFAOYSA-N 0 0 395.293 4.238 20 5 GIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000005632249 206217999 /nfs/dbraw/zinc/21/79/99/206217999.db2.gz MQECUXMHQFBHJX-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993221 722192494 /nfs/dbraw/zinc/19/24/94/722192494.db2.gz CYPDQGZPGGTIGU-IBGZPJMESA-N 0 0 390.846 4.027 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000055796187 823045100 /nfs/dbraw/zinc/04/51/00/823045100.db2.gz FRPDYXWLTVTGRY-UHFFFAOYSA-N 0 0 381.363 4.269 20 5 GIBDRN Cc1ccc(C(=O)N(c2ccc(Br)cn2)C(C)C)cc1[N+](=O)[O-] ZINC000055796424 823045371 /nfs/dbraw/zinc/04/53/71/823045371.db2.gz IAYCSIVNZDRYFG-UHFFFAOYSA-N 0 0 378.226 4.116 20 5 GIBDRN CCc1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000055797628 823045529 /nfs/dbraw/zinc/04/55/29/823045529.db2.gz OTBHRADCISJBPE-UHFFFAOYSA-N 0 0 381.457 4.140 20 5 GIBDRN CC(C)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000055804849 823046605 /nfs/dbraw/zinc/04/66/05/823046605.db2.gz CVEHHJJPKSXSQO-UHFFFAOYSA-N 0 0 393.802 4.025 20 5 GIBDRN CCOc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000055805853 823046922 /nfs/dbraw/zinc/04/69/22/823046922.db2.gz OULKOANFKAWKDW-UHFFFAOYSA-N 0 0 396.346 4.164 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(Br)cc3F)n2)c1 ZINC000055829453 823049527 /nfs/dbraw/zinc/04/95/27/823049527.db2.gz GOKCHFKHKFWTPV-UHFFFAOYSA-N 0 0 393.172 4.159 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3ccccc3OC(F)(F)F)n2)cc1 ZINC000055829916 823049767 /nfs/dbraw/zinc/04/97/67/823049767.db2.gz VEYWZUZOYKTCEC-UHFFFAOYSA-N 0 0 380.282 4.156 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC ZINC000187374969 823052100 /nfs/dbraw/zinc/05/21/00/823052100.db2.gz JYERWCCAYKORKX-HNNXBMFYSA-N 0 0 398.459 4.242 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120755346 823057801 /nfs/dbraw/zinc/05/78/01/823057801.db2.gz VNYPSYJXXIFMQA-ZDUSSCGKSA-N 0 0 387.411 4.178 20 5 GIBDRN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)OC(C)C ZINC000187410591 823057956 /nfs/dbraw/zinc/05/79/56/823057956.db2.gz HVWFXPPLZBOHHH-SFHVURJKSA-N 0 0 392.839 4.153 20 5 GIBDRN CC[C@@H](CN(CC)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000187415795 823059209 /nfs/dbraw/zinc/05/92/09/823059209.db2.gz ISFCZSRRFRVYAM-HNNXBMFYSA-N 0 0 393.443 4.092 20 5 GIBDRN O=C(NC1(c2cccc(Br)c2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175893801 823065465 /nfs/dbraw/zinc/06/54/65/823065465.db2.gz WSCYWYKBVHGTEK-UHFFFAOYSA-N 0 0 395.640 4.430 20 5 GIBDRN CC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000120798221 823066357 /nfs/dbraw/zinc/06/63/57/823066357.db2.gz MQUKVJVXJDQUCZ-UHFFFAOYSA-N 0 0 383.187 4.122 20 5 GIBDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120812033 823068921 /nfs/dbraw/zinc/06/89/21/823068921.db2.gz CHULYEWZJZXRHI-UHFFFAOYSA-N 0 0 388.786 4.193 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])cc1 ZINC000458655842 823070386 /nfs/dbraw/zinc/07/03/86/823070386.db2.gz RYSAJKXRXVKPHO-IFXJQAMLSA-N 0 0 397.479 4.344 20 5 GIBDRN COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000187512329 823078465 /nfs/dbraw/zinc/07/84/65/823078465.db2.gz MTOSBILNZCKZBS-MEDUHNTESA-N 0 0 397.353 4.267 20 5 GIBDRN CC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000120867603 823079639 /nfs/dbraw/zinc/07/96/39/823079639.db2.gz CXFIUOAYBSURAR-UHFFFAOYSA-N 0 0 383.187 4.122 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000120874394 823080744 /nfs/dbraw/zinc/08/07/44/823080744.db2.gz JEJAFLPTWJBUSO-OAQYLSRUSA-N 0 0 380.375 4.394 20 5 GIBDRN O=C(Nc1ccnc(-c2ccccc2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570763729 823083021 /nfs/dbraw/zinc/08/30/21/823083021.db2.gz IJROGUPDMNOCOU-UHFFFAOYSA-N 0 0 390.399 4.083 20 5 GIBDRN COc1cc(Cl)ccc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000120917119 823086349 /nfs/dbraw/zinc/08/63/49/823086349.db2.gz XXWZULRMMIYYSC-UHFFFAOYSA-N 0 0 389.839 4.131 20 5 GIBDRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2=O)c(C)c1 ZINC000175986705 823088946 /nfs/dbraw/zinc/08/89/46/823088946.db2.gz MXLOEDVTGBWFOK-KRWDZBQOSA-N 0 0 395.459 4.129 20 5 GIBDRN CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000056150686 823088954 /nfs/dbraw/zinc/08/89/54/823088954.db2.gz LHEAWQUBUYMRNS-UHFFFAOYSA-N 0 0 396.230 4.294 20 5 GIBDRN CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000056151917 823089449 /nfs/dbraw/zinc/08/94/49/823089449.db2.gz MAJJQIUGQKYZMY-UHFFFAOYSA-N 0 0 381.841 4.010 20 5 GIBDRN COCCOc1ccc(F)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187581904 823092386 /nfs/dbraw/zinc/09/23/86/823092386.db2.gz LIZGLHDCFHPDKI-UHFFFAOYSA-N 0 0 376.384 4.135 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cc(C)ccc2Br)cc1[N+](=O)[O-] ZINC000120960183 823093452 /nfs/dbraw/zinc/09/34/52/823093452.db2.gz NBEILNXEDMNAFJ-UHFFFAOYSA-N 0 0 379.210 4.317 20 5 GIBDRN Cc1ccc(CCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000176021201 823097828 /nfs/dbraw/zinc/09/78/28/823097828.db2.gz KBAIWVQMVIFAGV-UHFFFAOYSA-N 0 0 388.489 4.357 20 5 GIBDRN CC[C@](C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000176008339 823094653 /nfs/dbraw/zinc/09/46/53/823094653.db2.gz BMPFOXRFXLTWKX-HNNXBMFYSA-N 0 0 398.282 4.177 20 5 GIBDRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000120968699 823094797 /nfs/dbraw/zinc/09/47/97/823094797.db2.gz SOKXURRWSWHPOB-VIFPVBQESA-N 0 0 398.282 4.264 20 5 GIBDRN O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178656 823097026 /nfs/dbraw/zinc/09/70/26/823097026.db2.gz MUTLNFKCRHBHIH-FQEVSTJZSA-N 0 0 379.391 4.204 20 5 GIBDRN COc1ccc(NC(C)=O)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000056180085 823097389 /nfs/dbraw/zinc/09/73/89/823097389.db2.gz ZCRZGTUZHSDSOO-UHFFFAOYSA-N 0 0 385.401 4.029 20 5 GIBDRN COc1ccc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1[N+](=O)[O-] ZINC000187615138 823098311 /nfs/dbraw/zinc/09/83/11/823098311.db2.gz VLOHNUWNTAOHMM-UHFFFAOYSA-N 0 0 398.444 4.297 20 5 GIBDRN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176036274 823102388 /nfs/dbraw/zinc/10/23/88/823102388.db2.gz MZYFGPFXXJOXRT-UHFFFAOYSA-N 0 0 383.795 4.163 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000187651207 823105504 /nfs/dbraw/zinc/10/55/04/823105504.db2.gz GPDURMWVHWBFLU-QGZVFWFLSA-N 0 0 378.494 4.127 20 5 GIBDRN COCc1ccccc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000121035011 823106539 /nfs/dbraw/zinc/10/65/39/823106539.db2.gz GNYYMJNGQUYTEU-UHFFFAOYSA-N 0 0 383.429 4.425 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000056223866 823106656 /nfs/dbraw/zinc/10/66/56/823106656.db2.gz HAPREWQGIMQJIY-UHFFFAOYSA-N 0 0 381.432 4.218 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)SCc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000570915889 823107130 /nfs/dbraw/zinc/10/71/30/823107130.db2.gz BDKSFKYVRVUPQA-SNVBAGLBSA-N 0 0 382.388 4.142 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000187690740 823113851 /nfs/dbraw/zinc/11/38/51/823113851.db2.gz QWHLALBADKWSHR-AWEZNQCLSA-N 0 0 384.379 4.393 20 5 GIBDRN CN(C(=O)CCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000121081199 823114973 /nfs/dbraw/zinc/11/49/73/823114973.db2.gz DMPVWBZXCOVJER-UHFFFAOYSA-N 0 0 381.201 4.092 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccccc1Br ZINC000121093991 823117303 /nfs/dbraw/zinc/11/73/03/823117303.db2.gz QBEVIESUERVXGC-INIZCTEOSA-N 0 0 390.237 4.038 20 5 GIBDRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121115216 823121246 /nfs/dbraw/zinc/12/12/46/823121246.db2.gz BWPFYXVBTKXSLE-UHFFFAOYSA-N 0 0 378.772 4.158 20 5 GIBDRN Cc1nc([C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccccc2F)no1 ZINC000187731870 823121418 /nfs/dbraw/zinc/12/14/18/823121418.db2.gz GKXZSHQGRSCGRB-GOSISDBHSA-N 0 0 398.394 4.068 20 5 GIBDRN Cc1nc(-c2c[nH]c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)cs1 ZINC000056287910 823121793 /nfs/dbraw/zinc/12/17/93/823121793.db2.gz ORSTZWHXGDJWHV-UHFFFAOYSA-N 0 0 384.461 4.406 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000056313001 823125264 /nfs/dbraw/zinc/12/52/64/823125264.db2.gz CTBAOOKFDAASSZ-UHFFFAOYSA-N 0 0 384.310 4.105 20 5 GIBDRN CN1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc21 ZINC000459078511 823124865 /nfs/dbraw/zinc/12/48/65/823124865.db2.gz AYUWWRSBTQWYAL-FQEVSTJZSA-N 0 0 394.475 4.240 20 5 GIBDRN CCOc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])o2)cc1OCC ZINC000056314287 823126396 /nfs/dbraw/zinc/12/63/96/823126396.db2.gz BEKMLRKEIYVNHQ-UHFFFAOYSA-N 0 0 399.197 4.000 20 5 GIBDRN CCCOc1ccccc1[C@H](CC(C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000571100625 823132405 /nfs/dbraw/zinc/13/24/05/823132405.db2.gz GFDFLCNDMALMPQ-INIZCTEOSA-N 0 0 386.452 4.077 20 5 GIBDRN Cc1cc2cc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2[nH]1 ZINC000176138938 823133513 /nfs/dbraw/zinc/13/35/13/823133513.db2.gz SKNXUTBQLDGZEU-UHFFFAOYSA-N 0 0 394.431 4.460 20 5 GIBDRN Cn1ccnc1C(=O)c1ccc(N2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000571118838 823135137 /nfs/dbraw/zinc/13/51/37/823135137.db2.gz IIDKBCXZSGKJPD-GOSISDBHSA-N 0 0 396.472 4.208 20 5 GIBDRN Cc1noc(C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccccc2)n1 ZINC000571142207 823139982 /nfs/dbraw/zinc/13/99/82/823139982.db2.gz XKUCGRPGWGUSOQ-GOSISDBHSA-N 0 0 375.388 4.230 20 5 GIBDRN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2c(s1)CCC2 ZINC000459199677 823142843 /nfs/dbraw/zinc/14/28/43/823142843.db2.gz SLKZVORTWPAUSK-MRVPVSSYSA-N 0 0 398.391 4.024 20 5 GIBDRN C[C@@H](NC(=O)NCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056398324 823143211 /nfs/dbraw/zinc/14/32/11/823143211.db2.gz FSPYGDMGGMULAV-SNVBAGLBSA-N 0 0 396.216 4.057 20 5 GIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000176189534 823148497 /nfs/dbraw/zinc/14/84/97/823148497.db2.gz CYSBBRTWFNQUJB-GFCCVEGCSA-N 0 0 384.823 4.233 20 5 GIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000176190559 823148971 /nfs/dbraw/zinc/14/89/71/823148971.db2.gz MUBZDQRASYZZQV-LBPRGKRZSA-N 0 0 384.823 4.233 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000176222065 823156344 /nfs/dbraw/zinc/15/63/44/823156344.db2.gz PBKOQIJCVAOCCJ-AWEZNQCLSA-N 0 0 395.419 4.068 20 5 GIBDRN O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000187895553 823154243 /nfs/dbraw/zinc/15/42/43/823154243.db2.gz KEAWYEFVVCDOSS-CRAIPNDOSA-N 0 0 392.521 4.158 20 5 GIBDRN CC[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000056459273 823154354 /nfs/dbraw/zinc/15/43/54/823154354.db2.gz KIRXNSVDGYLXDB-OAHLLOKOSA-N 0 0 379.363 4.147 20 5 GIBDRN CN(Cc1ccc(Cl)s1)C(=O)COc1cc(Cl)ccc1[N+](=O)[O-] 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COc1ccc(OCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000005051916 817548072 /nfs/dbraw/zinc/54/80/72/817548072.db2.gz SGIFRDBSTRRWAJ-HNNXBMFYSA-N 0 0 386.448 4.058 20 5 GIBDRN CCOc1cc(NC(=O)c2ccc(C)nc2C(C)C)c([N+](=O)[O-])cc1OCC ZINC000459907041 823271359 /nfs/dbraw/zinc/27/13/59/823271359.db2.gz VKEXVNQHFARTEK-UHFFFAOYSA-N 0 0 387.436 4.471 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005117122 817552011 /nfs/dbraw/zinc/55/20/11/817552011.db2.gz SBCYCKMSRMWKIL-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000409653165 823274617 /nfs/dbraw/zinc/27/46/17/823274617.db2.gz SDTPEAZCVFQISO-MRXNPFEDSA-N 0 0 377.448 4.060 20 5 GIBDRN Cc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n(CC(C)C)c1C ZINC000005151960 817555381 /nfs/dbraw/zinc/55/53/81/817555381.db2.gz ZZOVJGCSEVPPHR-UHFFFAOYSA-N 0 0 396.900 4.448 20 5 GIBDRN CC(=O)c1cccc(OCCCC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000176711751 823274716 /nfs/dbraw/zinc/27/47/16/823274716.db2.gz HBOFEPQMFHKJSU-UHFFFAOYSA-N 0 0 393.399 4.143 20 5 GIBDRN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[nH]c1Cc1ccccc1 ZINC000005312382 817573067 /nfs/dbraw/zinc/57/30/67/817573067.db2.gz VSBDFIHZOONERY-UHFFFAOYSA-N 0 0 397.456 4.376 20 5 GIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000459940100 823273120 /nfs/dbraw/zinc/27/31/20/823273120.db2.gz BBPPSKGXBYVPQS-CYBMUJFWSA-N 0 0 375.450 4.123 20 5 GIBDRN CCc1ccc2c(COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000005424645 817582161 /nfs/dbraw/zinc/58/21/61/817582161.db2.gz HKAXIOBMYQBUFM-UHFFFAOYSA-N 0 0 399.424 4.343 20 5 GIBDRN C[C@@H](OC(=O)c1ccc2ncsc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005468589 817586958 /nfs/dbraw/zinc/58/69/58/817586958.db2.gz FSJIECYCIPWVQZ-SNVBAGLBSA-N 0 0 396.384 4.173 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000005484840 817588559 /nfs/dbraw/zinc/58/85/59/817588559.db2.gz KXOLRMGYUOGJNW-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2c(n1)onc2C(C)C ZINC000176709472 823274059 /nfs/dbraw/zinc/27/40/59/823274059.db2.gz YCRJOMZQLXBPQK-UHFFFAOYSA-N 0 0 391.387 4.363 20 5 GIBDRN C[C@H](C1CC1)n1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000188638511 823278437 /nfs/dbraw/zinc/27/84/37/823278437.db2.gz UATKMVSUXNNIER-SECBINFHSA-N 0 0 381.339 4.008 20 5 GIBDRN O=C(Nc1nc2ccc(Br)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000005679156 817608598 /nfs/dbraw/zinc/60/85/98/817608598.db2.gz QBWCZPVUMCXSHY-UHFFFAOYSA-N 0 0 378.207 4.219 20 5 GIBDRN O=C(Cc1cccc2ccccc21)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005713801 817612489 /nfs/dbraw/zinc/61/24/89/817612489.db2.gz YKXNYWDJLGAKRS-UHFFFAOYSA-N 0 0 389.367 4.084 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000176727808 823279220 /nfs/dbraw/zinc/27/92/20/823279220.db2.gz OTTYLLJEVIFVFC-GUXCAODWSA-N 0 0 383.448 4.136 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000176728700 823279251 /nfs/dbraw/zinc/27/92/51/823279251.db2.gz PWGKHGOKXSAMTK-HNNXBMFYSA-N 0 0 398.463 4.172 20 5 GIBDRN CCn1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000121908775 823275086 /nfs/dbraw/zinc/27/50/86/823275086.db2.gz HDUJUKQFWPFMCO-UHFFFAOYSA-N 0 0 391.225 4.446 20 5 GIBDRN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000005970752 817634054 /nfs/dbraw/zinc/63/40/54/817634054.db2.gz CTGMFOJMJUZFEJ-OAHLLOKOSA-N 0 0 379.416 4.279 20 5 GIBDRN CCCn1nccc1C1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000409655734 823275228 /nfs/dbraw/zinc/27/52/28/823275228.db2.gz JBGLRIQPUTZPSR-UHFFFAOYSA-N 0 0 379.464 4.442 20 5 GIBDRN C[C@H]1CCN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c2ccccc2S1 ZINC000005994219 817638198 /nfs/dbraw/zinc/63/81/98/817638198.db2.gz GNBVZHIZKPRUBZ-LBPRGKRZSA-N 0 0 376.409 4.030 20 5 GIBDRN CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057281783 823275548 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O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006539203 817702310 /nfs/dbraw/zinc/70/23/10/817702310.db2.gz RQAPCYQZPCPOGI-UHFFFAOYSA-N 0 0 389.473 4.016 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1OCC ZINC000176742443 823282486 /nfs/dbraw/zinc/28/24/86/823282486.db2.gz ISUNVNVPBSGHHB-CYBMUJFWSA-N 0 0 390.411 4.331 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000176743490 823282900 /nfs/dbraw/zinc/28/29/00/823282900.db2.gz WLQSHOUFQRZRAC-QGZVFWFLSA-N 0 0 388.851 4.112 20 5 GIBDRN CC[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000057366595 823283301 /nfs/dbraw/zinc/28/33/01/823283301.db2.gz AMWICZAXDZTARY-AWEZNQCLSA-N 0 0 377.466 4.223 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000176746301 823283324 /nfs/dbraw/zinc/28/33/24/823283324.db2.gz WNLKVASNIRHECR-OAHLLOKOSA-N 0 0 379.420 4.031 20 5 GIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000176747620 823283815 /nfs/dbraw/zinc/28/38/15/823283815.db2.gz DUPLZYXGLOVDBA-MLGOLLRUSA-N 0 0 388.493 4.448 20 5 GIBDRN CCN(Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)=O ZINC000176750840 823283939 /nfs/dbraw/zinc/28/39/39/823283939.db2.gz PNJSBHBQSOIACC-HNNXBMFYSA-N 0 0 398.463 4.154 20 5 GIBDRN Cc1cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 ZINC000176755398 823284954 /nfs/dbraw/zinc/28/49/54/823284954.db2.gz MCLBDELZYQIYTM-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN CC(C)C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC000460109632 823286401 /nfs/dbraw/zinc/28/64/01/823286401.db2.gz PRNFPFCJSBVVHL-INIZCTEOSA-N 0 0 389.477 4.348 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1sc2ccccc2c1Cl ZINC000007117086 817764657 /nfs/dbraw/zinc/76/46/57/817764657.db2.gz MHPKMNSEGSPRRL-UHFFFAOYSA-N 0 0 375.837 4.305 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007126119 817767659 /nfs/dbraw/zinc/76/76/59/817767659.db2.gz ZZIYSZZTPOVIMB-UHFFFAOYSA-N 0 0 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YXEIMZMXRCCLDW-UHFFFAOYSA-N 0 0 378.432 4.097 20 5 GIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2ccc(Cl)cc2)CC1 ZINC000007491183 817853716 /nfs/dbraw/zinc/85/37/16/817853716.db2.gz RMGGVHDVUSGKIU-UHFFFAOYSA-N 0 0 399.790 4.073 20 5 GIBDRN CCCCCCNC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000007535543 817863933 /nfs/dbraw/zinc/86/39/33/817863933.db2.gz WATHASRMERBZRF-UHFFFAOYSA-N 0 0 397.544 4.358 20 5 GIBDRN Cc1ccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)s1 ZINC000007597741 817876346 /nfs/dbraw/zinc/87/63/46/817876346.db2.gz MRPPMXHUQQJUHJ-UHFFFAOYSA-N 0 0 380.494 4.432 20 5 GIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000007606757 817878780 /nfs/dbraw/zinc/87/87/80/817878780.db2.gz RZFHLRYCEBMKGL-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN CC(=O)Nc1ccc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007705313 817898606 /nfs/dbraw/zinc/89/86/06/817898606.db2.gz WXGXVBVPXHQGII-LLVKDONJSA-N 0 0 384.417 4.457 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc4cc(Cl)ccc4[nH]3)o2)cc1 ZINC000057435500 823296871 /nfs/dbraw/zinc/29/68/71/823296871.db2.gz SEGFOBBIJXANIA-UHFFFAOYSA-N 0 0 387.808 4.467 20 5 GIBDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000007751055 817907538 /nfs/dbraw/zinc/90/75/38/817907538.db2.gz NSISZNVUXIFNGY-LBPRGKRZSA-N 0 0 381.354 4.293 20 5 GIBDRN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1Br ZINC000122059628 823300417 /nfs/dbraw/zinc/30/04/17/823300417.db2.gz YVYVFRHJCZMPIA-UHFFFAOYSA-N 0 0 386.205 4.466 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000007792982 817916428 /nfs/dbraw/zinc/91/64/28/817916428.db2.gz RYZAZMAVJONYKQ-UHFFFAOYSA-N 0 0 395.440 4.225 20 5 GIBDRN COc1ccc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 ZINC000007797917 817918298 /nfs/dbraw/zinc/91/82/98/817918298.db2.gz FUVJONAGDOZMPE-UHFFFAOYSA-N 0 0 390.442 4.197 20 5 GIBDRN COc1cc(Br)c(COc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000007834810 817930521 /nfs/dbraw/zinc/93/05/21/817930521.db2.gz QMMSDJKULWHEMB-UHFFFAOYSA-N 0 0 382.210 4.262 20 5 GIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000007853215 817938956 /nfs/dbraw/zinc/93/89/56/817938956.db2.gz XAXNZEDUEBAFRV-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1cc(F)cc(C(=O)N2CCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000176810107 823298765 /nfs/dbraw/zinc/29/87/65/823298765.db2.gz LIRBLMNHTVWIPU-UHFFFAOYSA-N 0 0 379.185 4.008 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)OCc3cccc(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000007935920 817964722 /nfs/dbraw/zinc/96/47/22/817964722.db2.gz QCUFYTOZZKHTKR-UHFFFAOYSA-N 0 0 379.416 4.122 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007947271 817967084 /nfs/dbraw/zinc/96/70/84/817967084.db2.gz NRUDLZPVPZGJOR-IBGZPJMESA-N 0 0 384.482 4.435 20 5 GIBDRN Cc1ccc(-n2nnnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000007982008 817974961 /nfs/dbraw/zinc/97/49/61/817974961.db2.gz AHZGWOACLHFIJF-UHFFFAOYSA-N 0 0 381.339 4.049 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057462215 823300118 /nfs/dbraw/zinc/30/01/18/823300118.db2.gz ROEQXDQMDWTBPX-GOSISDBHSA-N 0 0 390.823 4.147 20 5 GIBDRN COc1ccc(NC(=O)CNc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])c1 ZINC000572206638 823300191 /nfs/dbraw/zinc/30/01/91/823300191.db2.gz QPQZLKXQPIUBMN-UHFFFAOYSA-N 0 0 385.351 4.053 20 5 GIBDRN CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000572206361 823300208 /nfs/dbraw/zinc/30/02/08/823300208.db2.gz QPDRTIUAODWUFZ-UHFFFAOYSA-N 0 0 377.857 4.132 20 5 GIBDRN COc1ccc(C)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000008075789 817994715 /nfs/dbraw/zinc/99/47/15/817994715.db2.gz GQSLYNYQRNVYFW-UHFFFAOYSA-N 0 0 394.431 4.026 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000008076850 817995477 /nfs/dbraw/zinc/99/54/77/817995477.db2.gz NMONLMDKEOQADR-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN O=C(Cc1ccc(-c2ccccc2)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000008145590 818006925 /nfs/dbraw/zinc/00/69/25/818006925.db2.gz BPGAMMMMUSDIAG-UHFFFAOYSA-N 0 0 375.428 4.033 20 5 GIBDRN Cc1c(C(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000008154477 818008309 /nfs/dbraw/zinc/00/83/09/818008309.db2.gz FGSJNYWVMUILII-HNNXBMFYSA-N 0 0 392.411 4.091 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000188783498 823304949 /nfs/dbraw/zinc/30/49/49/823304949.db2.gz ZZPNIDWWOMOZGC-ZDUSSCGKSA-N 0 0 390.823 4.224 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000008171892 818011269 /nfs/dbraw/zinc/01/12/69/818011269.db2.gz TXPBXAXKGCHPKX-LBPRGKRZSA-N 0 0 388.807 4.293 20 5 GIBDRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000008234012 818021213 /nfs/dbraw/zinc/02/12/13/818021213.db2.gz WEZGTUHDWUEYRT-GFCCVEGCSA-N 0 0 376.434 4.272 20 5 GIBDRN CCc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000008290058 818030232 /nfs/dbraw/zinc/03/02/32/818030232.db2.gz ZBHDCWVDONJJEH-UHFFFAOYSA-N 0 0 387.779 4.218 20 5 GIBDRN COc1cc2ccccc2cc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000010963804 818035571 /nfs/dbraw/zinc/03/55/71/818035571.db2.gz CMJMXVWDRYPQLN-UHFFFAOYSA-N 0 0 394.383 4.170 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000010977881 818038276 /nfs/dbraw/zinc/03/82/76/818038276.db2.gz OOCJIFQMGCDPQO-OAHLLOKOSA-N 0 0 383.448 4.085 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000011011974 818044018 /nfs/dbraw/zinc/04/40/18/818044018.db2.gz ATIGNKXSYURYDT-UHFFFAOYSA-N 0 0 382.247 4.281 20 5 GIBDRN C[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011121295 818054305 /nfs/dbraw/zinc/05/43/05/818054305.db2.gz LLQSRBPKPYZAFF-JTQLQIEISA-N 0 0 397.214 4.015 20 5 GIBDRN O=C(Nc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)c1ccco1 ZINC000011146549 818056692 /nfs/dbraw/zinc/05/66/92/818056692.db2.gz QKVMRHSSUAMPPK-UHFFFAOYSA-N 0 0 399.790 4.024 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000011260216 818066485 /nfs/dbraw/zinc/06/64/85/818066485.db2.gz DEVKOCUBECLJPT-UHFFFAOYSA-N 0 0 394.387 4.004 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000188829820 823314796 /nfs/dbraw/zinc/31/47/96/823314796.db2.gz UCTIYXMZBCJOJI-QGZVFWFLSA-N 0 0 393.802 4.301 20 5 GIBDRN CC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000011412066 818079151 /nfs/dbraw/zinc/07/91/51/818079151.db2.gz QEZFPFRWUUOODV-DOMZBBRYSA-N 0 0 390.823 4.312 20 5 GIBDRN CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000011412049 818079272 /nfs/dbraw/zinc/07/92/72/818079272.db2.gz QEZFPFRWUUOODV-WFASDCNBSA-N 0 0 390.823 4.312 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000011483111 818086514 /nfs/dbraw/zinc/08/65/14/818086514.db2.gz IJUPEYSCULZBBL-JXMROGBWSA-N 0 0 394.349 4.003 20 5 GIBDRN Cc1c(C(=O)N(C)[C@H](C)c2ccccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122136934 823311780 /nfs/dbraw/zinc/31/17/80/823311780.db2.gz HRIQKKLTNNLTIB-GFCCVEGCSA-N 0 0 375.356 4.092 20 5 GIBDRN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000011916606 818128548 /nfs/dbraw/zinc/12/85/48/818128548.db2.gz VNCLZOZSPKGHMQ-UHFFFAOYSA-N 0 0 381.413 4.189 20 5 GIBDRN CCCc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)sc1C ZINC000012175414 818144927 /nfs/dbraw/zinc/14/49/27/818144927.db2.gz XFIVQHPUTYFVLR-UHFFFAOYSA-N 0 0 376.434 4.021 20 5 GIBDRN CCNc1ccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000460202997 823315651 /nfs/dbraw/zinc/31/56/51/823315651.db2.gz HKWCBRCWYGGUOO-UHFFFAOYSA-N 0 0 399.447 4.015 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3c(F)cccc3Br)n2)c1 ZINC000176886912 823317556 /nfs/dbraw/zinc/31/75/56/823317556.db2.gz MQQMNRCCILPKIT-UHFFFAOYSA-N 0 0 393.172 4.159 20 5 GIBDRN C[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012834963 818186175 /nfs/dbraw/zinc/18/61/75/818186175.db2.gz CFPQVQSFWQGHFT-YLSINNKHSA-N 0 0 395.444 4.003 20 5 GIBDRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c12 ZINC000014206928 818227448 /nfs/dbraw/zinc/22/74/48/818227448.db2.gz WJILHPQLNGGBJD-UHFFFAOYSA-N 0 0 392.346 4.498 20 5 GIBDRN Cc1c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000014499094 818248527 /nfs/dbraw/zinc/24/85/27/818248527.db2.gz ZMPYAEVQIWEVST-CQSZACIVSA-N 0 0 397.456 4.339 20 5 GIBDRN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000014651603 818256480 /nfs/dbraw/zinc/25/64/80/818256480.db2.gz KMALTFAKNZENOU-UHFFFAOYSA-N 0 0 380.447 4.034 20 5 GIBDRN COc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1OC ZINC000014878218 818273667 /nfs/dbraw/zinc/27/36/67/818273667.db2.gz AFIMEBXYYHTBAW-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000122231148 823325068 /nfs/dbraw/zinc/32/50/68/823325068.db2.gz MMOWFIRWYALTAL-FQEVSTJZSA-N 0 0 380.375 4.262 20 5 GIBDRN CNc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] ZINC000015037597 818285443 /nfs/dbraw/zinc/28/54/43/818285443.db2.gz CZROZIIOYYBIGV-UHFFFAOYSA-N 0 0 375.475 4.367 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000015085758 818288784 /nfs/dbraw/zinc/28/87/84/818288784.db2.gz WGWLSEMJOOABOH-UHFFFAOYSA-N 0 0 377.400 4.224 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000015271262 818305242 /nfs/dbraw/zinc/30/52/42/818305242.db2.gz YNRMXTMULMYCIG-UHFFFAOYSA-N 0 0 388.420 4.289 20 5 GIBDRN CCc1ccccc1N1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Cl)NC1=S ZINC000015282339 818306077 /nfs/dbraw/zinc/30/60/77/818306077.db2.gz QVQIFHZFYFXUJT-XNTDXEJSSA-N 0 0 387.848 4.073 20 5 GIBDRN COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000015359170 818316928 /nfs/dbraw/zinc/31/69/28/818316928.db2.gz KNXHKIPEQDDDMK-UHFFFAOYSA-N 0 0 391.426 4.100 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000015366167 818317785 /nfs/dbraw/zinc/31/77/85/818317785.db2.gz LVXNYCMNBRESEB-JTQLQIEISA-N 0 0 382.775 4.110 20 5 GIBDRN Cc1ccc([C@H](C)OC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000176936414 823328756 /nfs/dbraw/zinc/32/87/56/823328756.db2.gz HHRIUUIRLOQHEF-WMLDXEAASA-N 0 0 382.416 4.099 20 5 GIBDRN CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000015657378 818356429 /nfs/dbraw/zinc/35/64/29/818356429.db2.gz OPPAZVUXABCWRL-UHFFFAOYSA-N 0 0 383.448 4.482 20 5 GIBDRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1CCC(C)C ZINC000122276581 823331192 /nfs/dbraw/zinc/33/11/92/823331192.db2.gz WMNOGQRRODJRPO-UHFFFAOYSA-N 0 0 395.257 4.161 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000015798198 818368424 /nfs/dbraw/zinc/36/84/24/818368424.db2.gz OOJAYUJCEOZDBS-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000015798203 818368483 /nfs/dbraw/zinc/36/84/83/818368483.db2.gz LQHYCNYOODPRSF-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CCCOc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015998302 818382809 /nfs/dbraw/zinc/38/28/09/818382809.db2.gz CWYGFOZYJQBOGP-UHFFFAOYSA-N 0 0 379.210 4.398 20 5 GIBDRN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000016094231 818392594 /nfs/dbraw/zinc/39/25/94/818392594.db2.gz MBODZNGFWOXDDE-UHFFFAOYSA-N 0 0 399.705 4.174 20 5 GIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000016093911 818392734 /nfs/dbraw/zinc/39/27/34/818392734.db2.gz IBBWLOBLVFWTNH-UHFFFAOYSA-N 0 0 396.468 4.028 20 5 GIBDRN CCNc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)cc1[N+](=O)[O-] ZINC000016141391 818396992 /nfs/dbraw/zinc/39/69/92/818396992.db2.gz IHNPYAQGOSWLKU-LJQANCHMSA-N 0 0 383.448 4.403 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000016196231 818404750 /nfs/dbraw/zinc/40/47/50/818404750.db2.gz WTWFJTXPELOCGW-UHFFFAOYSA-N 0 0 394.836 4.074 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1SCc1ccco1 ZINC000016235679 818408006 /nfs/dbraw/zinc/40/80/06/818408006.db2.gz UBUOCAUGRZLDHG-UHFFFAOYSA-N 0 0 397.456 4.322 20 5 GIBDRN O=C(CNc1ccc(CCC(F)(F)F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000176959156 823334919 /nfs/dbraw/zinc/33/49/19/823334919.db2.gz IHQRRVBBPDBSCI-UHFFFAOYSA-N 0 0 393.365 4.091 20 5 GIBDRN CCNc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2ccccc21 ZINC000016397317 818434736 /nfs/dbraw/zinc/43/47/36/818434736.db2.gz ROHARHVSTKTNCB-UHFFFAOYSA-N 0 0 397.460 4.009 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(OC(F)F)c1 ZINC000188972314 823336330 /nfs/dbraw/zinc/33/63/30/823336330.db2.gz CIBMCWRIOBVFND-UHFFFAOYSA-N 0 0 389.314 4.005 20 5 GIBDRN Cc1nc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])s1 ZINC000188971781 823336358 /nfs/dbraw/zinc/33/63/58/823336358.db2.gz KLFBBFRWGGTJIA-UHFFFAOYSA-N 0 0 383.429 4.499 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc2ccccc2cc1NC(C)=O ZINC000016413513 818438983 /nfs/dbraw/zinc/43/89/83/818438983.db2.gz ITJBUDNEJKKBIZ-UHFFFAOYSA-N 0 0 394.383 4.072 20 5 GIBDRN C[C@@H](Sc1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016548976 818453864 /nfs/dbraw/zinc/45/38/64/818453864.db2.gz XTJWSXBZYAUDTP-SNVBAGLBSA-N 0 0 381.251 4.477 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1Cl ZINC000016590608 818456828 /nfs/dbraw/zinc/45/68/28/818456828.db2.gz AISVFBAUWAWGDY-NSHDSACASA-N 0 0 382.247 4.361 20 5 GIBDRN CS(=O)(=O)c1ccc(N[C@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000016738183 818471594 /nfs/dbraw/zinc/47/15/94/818471594.db2.gz KPFOSIYXUKXAGL-ZDUSSCGKSA-N 0 0 398.893 4.301 20 5 GIBDRN COc1ccc(CC(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000572437207 823339143 /nfs/dbraw/zinc/33/91/43/823339143.db2.gz AJCZNUYWXXSDSM-UHFFFAOYSA-N 0 0 390.823 4.152 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(-c2cccs2)nc1C ZINC000017334686 818510854 /nfs/dbraw/zinc/51/08/54/818510854.db2.gz JWZSYXFHVKPYHP-UHFFFAOYSA-N 0 0 375.431 4.349 20 5 GIBDRN COc1ccc(NCc2c3ccccc3cc3ccccc32)cc1OCC(N)=O ZINC000122348602 823341789 /nfs/dbraw/zinc/34/17/89/823341789.db2.gz FCEGVTFKSLSEKS-UHFFFAOYSA-N 0 0 386.451 4.478 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000017483108 818517217 /nfs/dbraw/zinc/51/72/17/818517217.db2.gz PAAQCOXQLHPIHH-QMMMGPOBSA-N 0 0 379.781 4.278 20 5 GIBDRN Cc1ccc(-c2nnc([C@H](C)OC(=O)CSc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017654060 818522570 /nfs/dbraw/zinc/52/25/70/818522570.db2.gz VFYGWSFINJQGJR-ZDUSSCGKSA-N 0 0 399.428 4.350 20 5 GIBDRN Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017671330 818523651 /nfs/dbraw/zinc/52/36/51/818523651.db2.gz YWTDHLZZBKXMTI-KBPBESRZSA-N 0 0 397.387 4.025 20 5 GIBDRN Cc1nc(-c2ccc(CCNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000017744795 818526727 /nfs/dbraw/zinc/52/67/27/818526727.db2.gz CVSRVXSFTWBELG-UHFFFAOYSA-N 0 0 382.445 4.391 20 5 GIBDRN CN(Cc1ccc(Br)s1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176988647 823343418 /nfs/dbraw/zinc/34/34/18/823343418.db2.gz KVRVDVXSGCVRHQ-UHFFFAOYSA-N 0 0 382.239 4.192 20 5 GIBDRN O=C(NCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017910548 818532922 /nfs/dbraw/zinc/53/29/22/818532922.db2.gz XVEGYCMERKQLCI-UHFFFAOYSA-N 0 0 391.383 4.065 20 5 GIBDRN CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC)cc1 ZINC000018131691 818548898 /nfs/dbraw/zinc/54/88/98/818548898.db2.gz HWYMAYKFMFLYOB-IBGZPJMESA-N 0 0 397.475 4.087 20 5 GIBDRN CC[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000018152937 818551608 /nfs/dbraw/zinc/55/16/08/818551608.db2.gz OQKVSQMJQSKNSX-KRWDZBQOSA-N 0 0 381.476 4.121 20 5 GIBDRN COc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] ZINC000018216492 818557200 /nfs/dbraw/zinc/55/72/00/818557200.db2.gz FSZRQFZTLSJNSE-UHFFFAOYSA-N 0 0 376.459 4.334 20 5 GIBDRN Cc1ccc(OCc2nc(CC(=O)Oc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000018228430 818557811 /nfs/dbraw/zinc/55/78/11/818557811.db2.gz KGRRIGOYZDFVMJ-UHFFFAOYSA-N 0 0 384.413 4.087 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000177013578 823349527 /nfs/dbraw/zinc/34/95/27/823349527.db2.gz LDNFWTKVWMVFCX-UHFFFAOYSA-N 0 0 382.351 4.352 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000018769712 818577352 /nfs/dbraw/zinc/57/73/52/818577352.db2.gz CBTMALZZDJIMFB-HNNXBMFYSA-N 0 0 397.412 4.006 20 5 GIBDRN CC(C)(C)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000018769734 818577380 /nfs/dbraw/zinc/57/73/80/818577380.db2.gz RPRQDGFAXVBMCW-UHFFFAOYSA-N 0 0 394.431 4.096 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000018808655 818578210 /nfs/dbraw/zinc/57/82/10/818578210.db2.gz BQBDICFDWLSNDS-SECBINFHSA-N 0 0 391.742 4.355 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000189044150 823347451 /nfs/dbraw/zinc/34/74/51/823347451.db2.gz KRIVYAHSFVWJGI-UHFFFAOYSA-N 0 0 399.447 4.083 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000019358347 818591831 /nfs/dbraw/zinc/59/18/31/818591831.db2.gz JHHVSZRPDSCODC-NSHDSACASA-N 0 0 378.812 4.147 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)CCCC(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000019678986 818597619 /nfs/dbraw/zinc/59/76/19/818597619.db2.gz LGKJUIFOJQHIFR-OAHLLOKOSA-N 0 0 386.496 4.401 20 5 GIBDRN CCc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000019678800 818597740 /nfs/dbraw/zinc/59/77/40/818597740.db2.gz PBIHTOVVDXDXIT-UHFFFAOYSA-N 0 0 378.432 4.271 20 5 GIBDRN O=C(COc1ccc(Cl)c2cccnc12)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000057932583 823348812 /nfs/dbraw/zinc/34/88/12/823348812.db2.gz RJUVCEBMLLCMEO-UHFFFAOYSA-N 0 0 392.198 4.467 20 5 GIBDRN CC1(C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1cccs1 ZINC000572515574 823352130 /nfs/dbraw/zinc/35/21/30/823352130.db2.gz JOOGTFDOAZUEQU-KRWDZBQOSA-N 0 0 382.445 4.065 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 ZINC000020676020 818629246 /nfs/dbraw/zinc/62/92/46/818629246.db2.gz QCZQUGWASDXCKO-UHFFFAOYSA-N 0 0 397.412 4.050 20 5 GIBDRN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Br ZINC000020751087 818630642 /nfs/dbraw/zinc/63/06/42/818630642.db2.gz KDNMAXOCJLKSAB-UHFFFAOYSA-N 0 0 398.596 4.050 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000020834736 818633350 /nfs/dbraw/zinc/63/33/50/818633350.db2.gz FJWNKEGAPYXHLS-UHFFFAOYSA-N 0 0 382.608 4.323 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000020890704 818635943 /nfs/dbraw/zinc/63/59/43/818635943.db2.gz IQCKPBCTDQSRII-UHFFFAOYSA-N 0 0 378.226 4.188 20 5 GIBDRN CC(C)(NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177027990 823353388 /nfs/dbraw/zinc/35/33/88/823353388.db2.gz CLZJTYYNOJFYEV-IBGZPJMESA-N 0 0 399.447 4.209 20 5 GIBDRN COc1ccc(OC)c(CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000122409773 823350499 /nfs/dbraw/zinc/35/04/99/823350499.db2.gz QYSJQVKGVLDPRW-UHFFFAOYSA-N 0 0 385.420 4.117 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000021352317 818678923 /nfs/dbraw/zinc/67/89/23/818678923.db2.gz YQIVEVFGOGROTG-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN Cc1cnc([C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000460317621 823351318 /nfs/dbraw/zinc/35/13/18/823351318.db2.gz OTYWMUSKTATEQF-BMIGLBTASA-N 0 0 395.868 4.048 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] ZINC000021443524 818688117 /nfs/dbraw/zinc/68/81/17/818688117.db2.gz NYQBPXWBENCFEH-UHFFFAOYSA-N 0 0 396.371 4.013 20 5 GIBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021460843 818690180 /nfs/dbraw/zinc/69/01/80/818690180.db2.gz SYVYDWDXUUINPM-MRVPVSSYSA-N 0 0 389.717 4.068 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000021571088 818706289 /nfs/dbraw/zinc/70/62/89/818706289.db2.gz ROOUQSRHJSCARO-JTQLQIEISA-N 0 0 397.200 4.211 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000021572781 818706618 /nfs/dbraw/zinc/70/66/18/818706618.db2.gz HEPRQMPMIAMEDE-JTQLQIEISA-N 0 0 397.200 4.211 20 5 GIBDRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000021589000 818709741 /nfs/dbraw/zinc/70/97/41/818709741.db2.gz XXIZNVZOSKFTRT-NSHDSACASA-N 0 0 383.231 4.466 20 5 GIBDRN O=C(COC(=O)CCc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021638213 818718606 /nfs/dbraw/zinc/71/86/06/818718606.db2.gz SFKWEWFPBYGAKW-UHFFFAOYSA-N 0 0 397.214 4.016 20 5 GIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572544080 823358013 /nfs/dbraw/zinc/35/80/13/823358013.db2.gz RAFBHJXBNDWNKQ-BEFAXECRSA-N 0 0 392.459 4.048 20 5 GIBDRN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000021676276 818724278 /nfs/dbraw/zinc/72/42/78/818724278.db2.gz WVQISGLYKPQZDL-UHFFFAOYSA-N 0 0 391.214 4.399 20 5 GIBDRN CCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122467295 823358688 /nfs/dbraw/zinc/35/86/88/823358688.db2.gz HUGKGCJPQVPWTP-ZDUSSCGKSA-N 0 0 391.855 4.106 20 5 GIBDRN CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000122467416 823358720 /nfs/dbraw/zinc/35/87/20/823358720.db2.gz ZABLJUKWNJTHGF-UHFFFAOYSA-N 0 0 383.235 4.087 20 5 GIBDRN C[C@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021735128 818732344 /nfs/dbraw/zinc/73/23/44/818732344.db2.gz FOBRTBSEIYZTGD-JTQLQIEISA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000177052236 823360213 /nfs/dbraw/zinc/36/02/13/823360213.db2.gz HEMHQZURUGEBMJ-CVEARBPZSA-N 0 0 398.463 4.011 20 5 GIBDRN Cc1[nH]c2ccccc2c1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460348673 823360561 /nfs/dbraw/zinc/36/05/61/823360561.db2.gz QHOKJPYCWDQLGZ-HXUWFJFHSA-N 0 0 381.457 4.201 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000021934109 818756833 /nfs/dbraw/zinc/75/68/33/818756833.db2.gz ZEXQTRFJFVSCCS-CQSZACIVSA-N 0 0 398.459 4.372 20 5 GIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc([N+](=O)[O-])c1 ZINC000021959025 818759028 /nfs/dbraw/zinc/75/90/28/818759028.db2.gz XBPSQDHPYWFESW-UHFFFAOYSA-N 0 0 390.852 4.248 20 5 GIBDRN COc1ccc(OCc2csc(N(C(C)=O)c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000022044345 818766586 /nfs/dbraw/zinc/76/65/86/818766586.db2.gz VWTDGVDXGFLSBJ-UHFFFAOYSA-N 0 0 399.428 4.324 20 5 GIBDRN Cc1cccc(OCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000460356085 823362690 /nfs/dbraw/zinc/36/26/90/823362690.db2.gz NHWWCEXYVWJTAQ-FQEVSTJZSA-N 0 0 386.473 4.255 20 5 GIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000022161551 818778176 /nfs/dbraw/zinc/77/81/76/818778176.db2.gz RTALWVVXUZINNH-ZDUSSCGKSA-N 0 0 388.445 4.118 20 5 GIBDRN O=C(c1sccc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460357068 823363031 /nfs/dbraw/zinc/36/30/31/823363031.db2.gz FFPBALYXEPENNH-AWEZNQCLSA-N 0 0 399.291 4.307 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000022187709 818780802 /nfs/dbraw/zinc/78/08/02/818780802.db2.gz NXRJCYIUDSYZBU-INIZCTEOSA-N 0 0 390.823 4.061 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000022187706 818780960 /nfs/dbraw/zinc/78/09/60/818780960.db2.gz NXRJCYIUDSYZBU-MRXNPFEDSA-N 0 0 390.823 4.061 20 5 GIBDRN O=C(c1ccccc1)c1ccc(NCc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 ZINC000022227690 818784360 /nfs/dbraw/zinc/78/43/60/818784360.db2.gz LMWMPNMPKHHHAB-UHFFFAOYSA-N 0 0 399.410 4.019 20 5 GIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NC1CCCCC1 ZINC000022253839 818787102 /nfs/dbraw/zinc/78/71/02/818787102.db2.gz QGRYBYJICYNTLK-AWEZNQCLSA-N 0 0 395.528 4.016 20 5 GIBDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000022366899 818797645 /nfs/dbraw/zinc/79/76/45/818797645.db2.gz JQHMRAKARGYJDK-UHFFFAOYSA-N 0 0 390.395 4.228 20 5 GIBDRN Cc1ccc(Br)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000460365937 823365058 /nfs/dbraw/zinc/36/50/58/823365058.db2.gz WUJLWRGXAXQRSP-UHFFFAOYSA-N 0 0 391.265 4.418 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000022470817 818811601 /nfs/dbraw/zinc/81/16/01/818811601.db2.gz KXPFVDYLXGEOFQ-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000022668646 818839353 /nfs/dbraw/zinc/83/93/53/818839353.db2.gz FBQOUYNEWCJIGL-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 ZINC000177086924 823367819 /nfs/dbraw/zinc/36/78/19/823367819.db2.gz PLQVIEFDLLSVME-CYBMUJFWSA-N 0 0 395.419 4.398 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000022736478 818853798 /nfs/dbraw/zinc/85/37/98/818853798.db2.gz MCLWBUAICPMJDJ-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN O=C(NC(c1cccs1)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000122538390 823369087 /nfs/dbraw/zinc/36/90/87/823369087.db2.gz NMRIUXLLZKSTGH-UHFFFAOYSA-N 0 0 389.414 4.145 20 5 GIBDRN COc1cc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc([N+](=O)[O-])c1C ZINC000189193547 823373666 /nfs/dbraw/zinc/37/36/66/823373666.db2.gz UVVBIQHGRFJQEQ-SJORKVTESA-N 0 0 388.464 4.056 20 5 GIBDRN C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000189172399 823369779 /nfs/dbraw/zinc/36/97/79/823369779.db2.gz AAOBXGMBKVZNRR-AWEZNQCLSA-N 0 0 396.472 4.313 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000022913327 818875733 /nfs/dbraw/zinc/87/57/33/818875733.db2.gz UXRIGEPZMLIIGA-SECBINFHSA-N 0 0 398.749 4.019 20 5 GIBDRN Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000023082913 818896458 /nfs/dbraw/zinc/89/64/58/818896458.db2.gz RYUFXVAKJMXPHC-AWEZNQCLSA-N 0 0 382.445 4.208 20 5 GIBDRN CCCCOc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OC ZINC000058252366 823371639 /nfs/dbraw/zinc/37/16/39/823371639.db2.gz VLSWHTKSTBSMLW-UHFFFAOYSA-N 0 0 397.431 4.194 20 5 GIBDRN CCCCCc1nnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000023123464 818901077 /nfs/dbraw/zinc/90/10/77/818901077.db2.gz YHAWNEQNKNAGRG-NSHDSACASA-N 0 0 380.495 4.298 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc([N+](=O)[O-])c1 ZINC000023135881 818903042 /nfs/dbraw/zinc/90/30/42/818903042.db2.gz AGYHXQSPLDJOGT-UHFFFAOYSA-N 0 0 397.412 4.066 20 5 GIBDRN COc1c(F)cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000122556428 823372148 /nfs/dbraw/zinc/37/21/48/823372148.db2.gz LRQMQSZQHCRTHA-UHFFFAOYSA-N 0 0 377.347 4.078 20 5 GIBDRN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023386936 818931658 /nfs/dbraw/zinc/93/16/58/818931658.db2.gz YVSFGWCCRZVZSY-ZIAGYGMSSA-N 0 0 385.386 4.046 20 5 GIBDRN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023386940 818932423 /nfs/dbraw/zinc/93/24/23/818932423.db2.gz YVSFGWCCRZVZSY-KGLIPLIRSA-N 0 0 385.386 4.046 20 5 GIBDRN COc1cccc(Cc2cnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)c1 ZINC000023489154 818946483 /nfs/dbraw/zinc/94/64/83/818946483.db2.gz QJXOSOVIJBKFRN-UHFFFAOYSA-N 0 0 383.429 4.211 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000460402815 823377522 /nfs/dbraw/zinc/37/75/22/823377522.db2.gz PRLGNEBCCQMDJZ-DGCLKSJQSA-N 0 0 388.411 4.497 20 5 GIBDRN C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000460405542 823378362 /nfs/dbraw/zinc/37/83/62/823378362.db2.gz AFWDLGUMAFGKST-CHWSQXEVSA-N 0 0 394.880 4.313 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189230072 823379233 /nfs/dbraw/zinc/37/92/33/823379233.db2.gz DRLQCOQTQUCSAA-UHFFFAOYSA-N 0 0 388.367 4.117 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)c1 ZINC000410047009 823379355 /nfs/dbraw/zinc/37/93/55/823379355.db2.gz NGHZKBOKSIKKFQ-UHFFFAOYSA-N 0 0 386.448 4.303 20 5 GIBDRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC000024030900 819011593 /nfs/dbraw/zinc/01/15/93/819011593.db2.gz OFGDGDKTHUOURO-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cc2cccc(F)c2o1 ZINC000572690270 823383880 /nfs/dbraw/zinc/38/38/80/823383880.db2.gz AYMWSHDRCCTNLQ-LBPRGKRZSA-N 0 0 399.378 4.145 20 5 GIBDRN O=C(OCc1coc(-c2ccccc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000024278779 819041439 /nfs/dbraw/zinc/04/14/39/819041439.db2.gz YTTYPUZZCZYZQQ-UHFFFAOYSA-N 0 0 393.399 4.207 20 5 GIBDRN O=C(CCCCc1nc2ccccc2s1)NCCNc1ccccc1[N+](=O)[O-] ZINC000024320782 819045128 /nfs/dbraw/zinc/04/51/28/819045128.db2.gz PGZXPZHPYQTRND-UHFFFAOYSA-N 0 0 398.488 4.146 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122619199 823382726 /nfs/dbraw/zinc/38/27/26/823382726.db2.gz DVKNDJGWIFLBHT-INIZCTEOSA-N 0 0 388.851 4.108 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)cc2F)cc1SC ZINC000189261919 823382953 /nfs/dbraw/zinc/38/29/53/823382953.db2.gz UBHAYZLNJIDROZ-UHFFFAOYSA-N 0 0 384.816 4.048 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000410077110 823385322 /nfs/dbraw/zinc/38/53/22/823385322.db2.gz JDCHYDKLLPIVMZ-DJJJIMSYSA-N 0 0 398.488 4.467 20 5 GIBDRN CC1(c2ccccc2)CC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000410079202 823385792 /nfs/dbraw/zinc/38/57/92/823385792.db2.gz FBXWVNVMRFFCRE-UHFFFAOYSA-N 0 0 389.249 4.207 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000572754037 823392972 /nfs/dbraw/zinc/39/29/72/823392972.db2.gz JKOBAIOCEUQKIG-SHTZXODSSA-N 0 0 388.851 4.388 20 5 GIBDRN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000177176293 823391588 /nfs/dbraw/zinc/39/15/88/823391588.db2.gz LNBILWRPWIZQJF-SFHVURJKSA-N 0 0 378.375 4.226 20 5 GIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000460465381 823398733 /nfs/dbraw/zinc/39/87/33/823398733.db2.gz LOAYTXXOKLGVCP-NSHDSACASA-N 0 0 375.812 4.006 20 5 GIBDRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000572788606 823398935 /nfs/dbraw/zinc/39/89/35/823398935.db2.gz CTXCYOIIRAZMFP-WMZOPIPTSA-N 0 0 398.459 4.372 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177203111 823398207 /nfs/dbraw/zinc/39/82/07/823398207.db2.gz UBYWQODFOUEFGF-UHFFFAOYSA-N 0 0 389.339 4.134 20 5 GIBDRN Cc1nc(C)n(-c2ccccc2NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000460467120 823399604 /nfs/dbraw/zinc/39/96/04/823399604.db2.gz GZJNZUPQSPGYEH-UHFFFAOYSA-N 0 0 385.811 4.006 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2)cs1 ZINC000058522193 823403568 /nfs/dbraw/zinc/40/35/68/823403568.db2.gz ZMPVGBRDYWDYBR-UHFFFAOYSA-N 0 0 395.440 4.142 20 5 GIBDRN Cc1cccc(Cn2nccc2NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000460473676 823400863 /nfs/dbraw/zinc/40/08/63/823400863.db2.gz SJQVWMMYAJEYID-UHFFFAOYSA-N 0 0 384.823 4.362 20 5 GIBDRN CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000572800851 823401261 /nfs/dbraw/zinc/40/12/61/823401261.db2.gz RVIVWWJERXXEQY-KBXCAEBGSA-N 0 0 394.431 4.401 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000410147263 823401658 /nfs/dbraw/zinc/40/16/58/823401658.db2.gz JIEPWUKBPHGKJU-JOCQHMNTSA-N 0 0 376.359 4.181 20 5 GIBDRN COc1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000572806964 823402959 /nfs/dbraw/zinc/40/29/59/823402959.db2.gz ABKPEMCOVAKJGE-HNNXBMFYSA-N 0 0 396.365 4.063 20 5 GIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122767836 823408583 /nfs/dbraw/zinc/40/85/83/823408583.db2.gz UBGOCQGRMBZFMI-UHFFFAOYSA-N 0 0 397.391 4.294 20 5 GIBDRN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000058533149 823405179 /nfs/dbraw/zinc/40/51/79/823405179.db2.gz QABGXKXISYWNEQ-UHFFFAOYSA-N 0 0 394.214 4.046 20 5 GIBDRN CCc1nn(C)cc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000410164180 823407173 /nfs/dbraw/zinc/40/71/73/823407173.db2.gz XUNIIHXPIQPRMX-UHFFFAOYSA-N 0 0 382.445 4.294 20 5 GIBDRN CCC(CC)c1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000122759795 823407319 /nfs/dbraw/zinc/40/73/19/823407319.db2.gz FKQORJSKTVZPCH-UHFFFAOYSA-N 0 0 386.452 4.361 20 5 GIBDRN O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000460504987 823411129 /nfs/dbraw/zinc/41/11/29/823411129.db2.gz SXYWCJPCKHSYPE-UHFFFAOYSA-N 0 0 376.347 4.325 20 5 GIBDRN Cc1c(COc2ccccc2)cccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177257361 823411805 /nfs/dbraw/zinc/41/18/05/823411805.db2.gz WLQQPEXHOGGLFP-UHFFFAOYSA-N 0 0 391.427 4.193 20 5 GIBDRN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000460512266 823413551 /nfs/dbraw/zinc/41/35/51/823413551.db2.gz SXQDTMJHGIOYMK-UHFFFAOYSA-N 0 0 392.459 4.139 20 5 GIBDRN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000410187214 823414328 /nfs/dbraw/zinc/41/43/28/823414328.db2.gz HZSTVEQNDNMPLP-JTQLQIEISA-N 0 0 381.215 4.258 20 5 GIBDRN Cc1sc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000122803762 823415291 /nfs/dbraw/zinc/41/52/91/823415291.db2.gz IOLINUDPVYKKMI-UHFFFAOYSA-N 0 0 398.487 4.010 20 5 GIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000410193340 823415537 /nfs/dbraw/zinc/41/55/37/823415537.db2.gz RBPPNMSBIJCFCJ-CYBMUJFWSA-N 0 0 382.395 4.185 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCC2CCCC2)CC1 ZINC000177273721 823417359 /nfs/dbraw/zinc/41/73/59/823417359.db2.gz IRFOXICOFSSOSH-UHFFFAOYSA-N 0 0 381.860 4.451 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1csc(-c2ccccn2)n1 ZINC000122844827 823422415 /nfs/dbraw/zinc/42/24/15/823422415.db2.gz LONBLAYTQLASFB-UHFFFAOYSA-N 0 0 392.234 4.455 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)CCC2 ZINC000189465016 823422882 /nfs/dbraw/zinc/42/28/82/823422882.db2.gz DWUIGHSYMSOHIG-CQSZACIVSA-N 0 0 389.477 4.080 20 5 GIBDRN COc1cccc(O[C@@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000460541209 823425124 /nfs/dbraw/zinc/42/51/24/823425124.db2.gz BXQQEBDUZGNZCA-LBPRGKRZSA-N 0 0 386.429 4.015 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000410231369 823427665 /nfs/dbraw/zinc/42/76/65/823427665.db2.gz CPROPAAYTVBWHB-GOEBONIOSA-N 0 0 386.473 4.209 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(OCc2ccccc2)cc1 ZINC000058699747 823434884 /nfs/dbraw/zinc/43/48/84/823434884.db2.gz LBXNPHLBTIZQHD-UHFFFAOYSA-N 0 0 376.412 4.033 20 5 GIBDRN Cc1ccc(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000024620132 819856167 /nfs/dbraw/zinc/85/61/67/819856167.db2.gz HXMURXNGDURJPL-IBGZPJMESA-N 0 0 398.459 4.035 20 5 GIBDRN Cc1ccc(OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000024733371 819869604 /nfs/dbraw/zinc/86/96/04/819869604.db2.gz WPFCDQFZYAYTSB-HXUWFJFHSA-N 0 0 390.439 4.382 20 5 GIBDRN COc1ccc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2)cc1 ZINC000460574030 823439813 /nfs/dbraw/zinc/43/98/13/823439813.db2.gz MCSIQYJTGNYDHL-UHFFFAOYSA-N 0 0 392.411 4.209 20 5 GIBDRN C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1F ZINC000122966190 823441162 /nfs/dbraw/zinc/44/11/62/823441162.db2.gz UJNZTERTORKGSK-CYBMUJFWSA-N 0 0 389.402 4.351 20 5 GIBDRN COc1ccc(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000189548672 823441639 /nfs/dbraw/zinc/44/16/39/823441639.db2.gz BASGDKPSHFXIML-AWEZNQCLSA-N 0 0 392.839 4.284 20 5 GIBDRN O=[N+]([O-])c1ccc(NCCNc2ccc(C(F)(F)F)cn2)c2ccncc21 ZINC000025495989 819991312 /nfs/dbraw/zinc/99/13/12/819991312.db2.gz HBUSTXHIHJPJFB-UHFFFAOYSA-N 0 0 377.326 4.081 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000410274656 823444494 /nfs/dbraw/zinc/44/44/94/823444494.db2.gz FPMJIWBTNWOSMT-UHFFFAOYSA-N 0 0 393.487 4.386 20 5 GIBDRN NC(=O)c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000025572655 820004176 /nfs/dbraw/zinc/00/41/76/820004176.db2.gz DDHVNSVMHNDQFT-IUCAKERBSA-N 0 0 399.291 4.015 20 5 GIBDRN Cc1sc2nc(S[C@H](C)c3cccc([N+](=O)[O-])c3)n(C)c(=O)c2c1C ZINC000025723950 820018958 /nfs/dbraw/zinc/01/89/58/820018958.db2.gz CCBLCVBZXFEMHY-LLVKDONJSA-N 0 0 375.475 4.373 20 5 GIBDRN Cc1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n(CC(C)C)c1C ZINC000025745192 820021186 /nfs/dbraw/zinc/02/11/86/820021186.db2.gz RFDPCLCBDSMCNO-UHFFFAOYSA-N 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CC(=O)N(Cc1ccc(Nc2ccc3ncccc3c2[N+](=O)[O-])cc1)C1CC1 ZINC000123072483 823457128 /nfs/dbraw/zinc/45/71/28/823457128.db2.gz FNAGWTPOCKGVKR-UHFFFAOYSA-N 0 0 376.416 4.398 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000123072236 823457306 /nfs/dbraw/zinc/45/73/06/823457306.db2.gz PNAJIKRAMHOLRX-IBGZPJMESA-N 0 0 399.422 4.029 20 5 GIBDRN CSCC[C@@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC(C)C ZINC000460625680 823459658 /nfs/dbraw/zinc/45/96/58/823459658.db2.gz AYDKLPBZJCYVKL-CQSZACIVSA-N 0 0 377.514 4.087 20 5 GIBDRN CCC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000027092446 820192584 /nfs/dbraw/zinc/19/25/84/820192584.db2.gz POKHJAOTPFOALA-ZDUSSCGKSA-N 0 0 386.473 4.466 20 5 GIBDRN CCNc1ccc(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000573177976 823461259 /nfs/dbraw/zinc/46/12/59/823461259.db2.gz JVMWYFVFOBPKAQ-UHFFFAOYSA-N 0 0 389.402 4.325 20 5 GIBDRN O=C(Nc1ccc(OC[C@@H](O)c2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000027214396 820210756 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397.431 4.039 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043149620 821368650 /nfs/dbraw/zinc/36/86/50/821368650.db2.gz UDHPWLLEKFXIGV-UHFFFAOYSA-N 0 0 393.447 4.087 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cnc(-c2ccccc2)nc1 ZINC000180628011 821374014 /nfs/dbraw/zinc/37/40/14/821374014.db2.gz ARWHKZZWXMBJGT-UHFFFAOYSA-N 0 0 399.204 4.067 20 5 GIBDRN CC[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)OCCO2 ZINC000180641372 821378865 /nfs/dbraw/zinc/37/88/65/821378865.db2.gz CDFAEBOZWBBFFE-SFHVURJKSA-N 0 0 395.415 4.262 20 5 GIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342816 821395623 /nfs/dbraw/zinc/39/56/23/821395623.db2.gz XZBXPZLQLYYQGX-UHFFFAOYSA-N 0 0 377.784 4.031 20 5 GIBDRN COc1ccc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000043347087 821395998 /nfs/dbraw/zinc/39/59/98/821395998.db2.gz KTOWJSMTNPTRPF-UHFFFAOYSA-N 0 0 395.362 4.177 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000180735485 821424447 /nfs/dbraw/zinc/42/44/47/821424447.db2.gz WCXHKULSLBICIM-GOSISDBHSA-N 0 0 386.473 4.309 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000043840757 821468869 /nfs/dbraw/zinc/46/88/69/821468869.db2.gz RUQYRJTUQVMPOU-UHFFFAOYSA-N 0 0 395.440 4.181 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000043974882 821497033 /nfs/dbraw/zinc/49/70/33/821497033.db2.gz NSPRGKKKENSXTK-UHFFFAOYSA-N 0 0 394.387 4.104 20 5 GIBDRN COc1cc(CNc2cc(C)ccc2-n2cc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000180868612 821503574 /nfs/dbraw/zinc/50/35/74/821503574.db2.gz CTGFTLPDBIHKFK-UHFFFAOYSA-N 0 0 382.420 4.027 20 5 GIBDRN Cc1nc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3Cl)o2)cs1 ZINC000180891880 821518689 /nfs/dbraw/zinc/51/86/89/821518689.db2.gz FMYVHZHCRDEFMZ-UHFFFAOYSA-N 0 0 382.854 4.279 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc4cc(F)c(F)cc4[nH]3)o2)cc1 ZINC000044147951 821534470 /nfs/dbraw/zinc/53/44/70/821534470.db2.gz PVVRWWDOUJPFEY-UHFFFAOYSA-N 0 0 389.343 4.092 20 5 GIBDRN C[S@](=O)c1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180932425 821544668 /nfs/dbraw/zinc/54/46/68/821544668.db2.gz FFEBURJKXPXUIA-IDISGSTGSA-N 0 0 380.469 4.211 20 5 GIBDRN Cc1nc(NC(=O)c2c(N)cccc2[N+](=O)[O-])sc1Cc1ccc(C)cc1 ZINC000180950684 821553183 /nfs/dbraw/zinc/55/31/83/821553183.db2.gz BCWKNQSODNVUOY-UHFFFAOYSA-N 0 0 382.445 4.093 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CSCc1coc(-c2ccccc2)n1 ZINC000044490274 821593829 /nfs/dbraw/zinc/59/38/29/821593829.db2.gz NJQBPPQMXXHIIK-UHFFFAOYSA-N 0 0 397.456 4.142 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000044504812 821596087 /nfs/dbraw/zinc/59/60/87/821596087.db2.gz XCWWCZWWHGPJPF-GFCCVEGCSA-N 0 0 378.450 4.191 20 5 GIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044521828 821599332 /nfs/dbraw/zinc/59/93/32/821599332.db2.gz XECAGSPGAHKHKZ-STQMWFEESA-N 0 0 387.461 4.027 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1[N+](=O)[O-] ZINC000044567159 821609648 /nfs/dbraw/zinc/60/96/48/821609648.db2.gz DZUJTXNADGXFCV-UHFFFAOYSA-N 0 0 376.416 4.355 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000044567596 821609732 /nfs/dbraw/zinc/60/97/32/821609732.db2.gz IXTYBDMFCRMRGT-UHFFFAOYSA-N 0 0 376.416 4.355 20 5 GIBDRN COCCCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000044569642 821611087 /nfs/dbraw/zinc/61/10/87/821611087.db2.gz UHVARSQMRFRUOT-UHFFFAOYSA-N 0 0 378.812 4.197 20 5 GIBDRN O=C(Nc1ccc2nncn2c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000181061234 821615049 /nfs/dbraw/zinc/61/50/49/821615049.db2.gz UOTAHKIVZGYBJS-UHFFFAOYSA-N 0 0 391.412 4.041 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000044580789 821615048 /nfs/dbraw/zinc/61/50/48/821615048.db2.gz IJNHZISOPJSXIC-UHFFFAOYSA-N 0 0 398.387 4.077 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 ZINC000044636019 821633118 /nfs/dbraw/zinc/63/31/18/821633118.db2.gz SIYRCEDFSXBCDC-OAHLLOKOSA-N 0 0 398.459 4.345 20 5 GIBDRN CCNC(=O)c1ccc(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000044691522 821645491 /nfs/dbraw/zinc/64/54/91/821645491.db2.gz DYQIDTDNWBUPLR-UHFFFAOYSA-N 0 0 383.429 4.120 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cccc3)c2)cc1OC ZINC000044873629 821675115 /nfs/dbraw/zinc/67/51/15/821675115.db2.gz VGRPLEOSEDVXOX-UHFFFAOYSA-N 0 0 381.388 4.045 20 5 GIBDRN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC000181296624 821741523 /nfs/dbraw/zinc/74/15/23/821741523.db2.gz UJNQPAHEBVAGPK-WDEREUQCSA-N 0 0 381.354 4.118 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181368345 821791702 /nfs/dbraw/zinc/79/17/02/821791702.db2.gz NBMIHKJBUKEFCH-AWEZNQCLSA-N 0 0 386.452 4.036 20 5 GIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000181368395 821791709 /nfs/dbraw/zinc/79/17/09/821791709.db2.gz WEBNCWSLJWBVJE-YJLNNSPDSA-N 0 0 377.485 4.247 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000181402643 821807984 /nfs/dbraw/zinc/80/79/84/821807984.db2.gz BHOOMCQSZGANGX-CYBMUJFWSA-N 0 0 398.488 4.473 20 5 GIBDRN CCC[C@@H]1C[C@@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCO1 ZINC000181467692 821839742 /nfs/dbraw/zinc/83/97/42/821839742.db2.gz VXAZHJLOLGIJFB-UONOGXRCSA-N 0 0 389.477 4.276 20 5 GIBDRN CCOc1ccccc1[C@@H](CC)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181500532 821856217 /nfs/dbraw/zinc/85/62/17/821856217.db2.gz ZLGMAZHFFXVCPU-GFCCVEGCSA-N 0 0 384.479 4.022 20 5 GIBDRN Cc1csc([C@H](N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)n1 ZINC000181605099 821899257 /nfs/dbraw/zinc/89/92/57/821899257.db2.gz VNTVNWHRFFNXAL-XHDPSFHLSA-N 0 0 385.449 4.212 20 5 GIBDRN O=C(CCc1nc(C2CCCC2)no1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181955726 822044740 /nfs/dbraw/zinc/04/47/40/822044740.db2.gz WSSRIDRDHFUDFW-UHFFFAOYSA-N 0 0 398.341 4.226 20 5 GIBDRN CC(C)NC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000182058588 822077166 /nfs/dbraw/zinc/07/71/66/822077166.db2.gz OFGRLYCRLVRHBN-UHFFFAOYSA-N 0 0 396.472 4.469 20 5 GIBDRN Cc1cc(C)c(NC(=O)CN(C)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000182086021 822087583 /nfs/dbraw/zinc/08/75/83/822087583.db2.gz KHQGELLVVJFOLA-UHFFFAOYSA-N 0 0 375.856 4.244 20 5 GIBDRN O=C(Nc1nc(-c2cccs2)ns1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182114070 822099478 /nfs/dbraw/zinc/09/94/78/822099478.db2.gz LLRWNFAUMVTUQA-UHFFFAOYSA-N 0 0 398.372 4.029 20 5 GIBDRN CCCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(F)c1 ZINC000182172434 822130935 /nfs/dbraw/zinc/13/09/35/822130935.db2.gz AUIJAKXOMDGQTK-UHFFFAOYSA-N 0 0 382.395 4.053 20 5 GIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1-c1ccc(F)cc1 ZINC000182315428 822200036 /nfs/dbraw/zinc/20/00/36/822200036.db2.gz RIACOXFNXRGWIW-UHFFFAOYSA-N 0 0 394.406 4.033 20 5 GIBDRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OC)cc1 ZINC000182343667 822209019 /nfs/dbraw/zinc/20/90/19/822209019.db2.gz KDUWMWLPQHFQSB-CQSZACIVSA-N 0 0 380.347 4.337 20 5 GIBDRN C[C@@H](C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000182356238 822213446 /nfs/dbraw/zinc/21/34/46/822213446.db2.gz REROHZBDGLZGAL-UKRRQHHQSA-N 0 0 392.452 4.107 20 5 GIBDRN Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000182375976 822220863 /nfs/dbraw/zinc/22/08/63/822220863.db2.gz AFVOBXBDRJVKOD-AWEZNQCLSA-N 0 0 382.395 4.029 20 5 GIBDRN COc1ccc([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000182517043 822278260 /nfs/dbraw/zinc/27/82/60/822278260.db2.gz LAIPMUBAXYDDRW-LLVKDONJSA-N 0 0 380.347 4.038 20 5 GIBDRN COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)nc1C1CCCC1 ZINC000182531951 822286617 /nfs/dbraw/zinc/28/66/17/822286617.db2.gz GXTXHOANZMCJGT-UHFFFAOYSA-N 0 0 395.462 4.118 20 5 GIBDRN COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1C1CCCC1 ZINC000182536489 822288958 /nfs/dbraw/zinc/28/89/58/822288958.db2.gz AMVRPXJACWBAFT-UHFFFAOYSA-N 0 0 389.433 4.056 20 5 GIBDRN Cc1cccc(Cn2nccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182623324 822326864 /nfs/dbraw/zinc/32/68/64/822326864.db2.gz QNORVGRAXPAOAZ-CQSZACIVSA-N 0 0 382.395 4.029 20 5 GIBDRN COc1cc(COc2ccccc2C(C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000182627432 822329037 /nfs/dbraw/zinc/32/90/37/822329037.db2.gz OXOJQHSHXKCMLP-UHFFFAOYSA-N 0 0 381.331 4.029 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000178147975 822333386 /nfs/dbraw/zinc/33/33/86/822333386.db2.gz UGOOWVFXWBUBHG-UHFFFAOYSA-N 0 0 394.343 4.251 20 5 GIBDRN C[C@H](C(=O)Nc1cccc(OCc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182649022 822337955 /nfs/dbraw/zinc/33/79/55/822337955.db2.gz UDCNGIASLAOQLK-AWEZNQCLSA-N 0 0 395.390 4.450 20 5 GIBDRN C[S@](=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000178248761 822358403 /nfs/dbraw/zinc/35/84/03/822358403.db2.gz ZLKBRVZOUKTWIF-SANMLTNESA-N 0 0 391.449 4.207 20 5 GIBDRN Cc1cc(F)ccc1[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000453424785 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378.454 4.121 20 5 GIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000052410644 822798462 /nfs/dbraw/zinc/79/84/62/822798462.db2.gz CGEZHUUOZPAONM-GFCCVEGCSA-N 0 0 389.839 4.079 20 5 GIBDRN CCCCOc1ccc([C@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000052411664 822798479 /nfs/dbraw/zinc/79/84/79/822798479.db2.gz AVHNSAVIQCFRKL-ZDUSSCGKSA-N 0 0 387.436 4.054 20 5 GIBDRN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052606300 822804838 /nfs/dbraw/zinc/80/48/38/822804838.db2.gz MYIBBTKLVMGVRN-UHFFFAOYSA-N 0 0 379.372 4.370 20 5 GIBDRN Cc1cc(OCc2nnc(-c3ccc(Cl)cc3)n2C)c(F)cc1[N+](=O)[O-] ZINC000185650352 822806692 /nfs/dbraw/zinc/80/66/92/822806692.db2.gz PDNMASFIKPYOAB-UHFFFAOYSA-N 0 0 376.775 4.070 20 5 GIBDRN C[C@H](Sc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185689890 822810486 /nfs/dbraw/zinc/81/04/86/822810486.db2.gz YRYZESSAMLZALO-VIFPVBQESA-N 0 0 386.351 4.439 20 5 GIBDRN COc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1Br 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O=C(CSCc1cc(-c2cccs2)on1)Nc1cccc([N+](=O)[O-])c1 ZINC000061132709 823579669 /nfs/dbraw/zinc/57/96/69/823579669.db2.gz LTYFKRVXTSKTPX-UHFFFAOYSA-N 0 0 375.431 4.183 20 5 GIBDRN Cc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC000061132720 823579724 /nfs/dbraw/zinc/57/97/24/823579724.db2.gz CGHDMLKBCUTTET-UHFFFAOYSA-N 0 0 389.458 4.492 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)c2oc3ccccc3c2C)c1F ZINC000411491632 823581008 /nfs/dbraw/zinc/58/10/08/823581008.db2.gz VQGMZHDFMVOIIC-GFCCVEGCSA-N 0 0 386.379 4.217 20 5 GIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411494716 823581318 /nfs/dbraw/zinc/58/13/18/823581318.db2.gz UJVHTEOBHARMKQ-DLBZAZTESA-N 0 0 378.350 4.376 20 5 GIBDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000461127260 823582948 /nfs/dbraw/zinc/58/29/48/823582948.db2.gz KJYOWKKFLQMMFI-UHFFFAOYSA-N 0 0 399.266 4.083 20 5 GIBDRN Cc1nn(CCC(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000461158087 823589667 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GIBDRN COc1cccc(Cl)c1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000190768807 823606595 /nfs/dbraw/zinc/60/65/95/823606595.db2.gz RQPUQZVENOSIMX-UHFFFAOYSA-N 0 0 389.839 4.131 20 5 GIBDRN O=C(Nc1nc(-c2cccnc2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124563332 823606821 /nfs/dbraw/zinc/60/68/21/823606821.db2.gz OOPKJJOGIUQFNQ-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000461322110 823617348 /nfs/dbraw/zinc/61/73/48/823617348.db2.gz XFWHOORVJJABKF-INIZCTEOSA-N 0 0 385.489 4.058 20 5 GIBDRN Cc1nn(C)c(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)c1[N+](=O)[O-] ZINC000124701978 823618976 /nfs/dbraw/zinc/61/89/76/823618976.db2.gz XGWCMGUKBXKECW-MRXNPFEDSA-N 0 0 390.871 4.342 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995608 823619470 /nfs/dbraw/zinc/61/94/70/823619470.db2.gz DQPKQLRKDWQNOH-OAQYLSRUSA-N 0 0 382.460 4.347 20 5 GIBDRN CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000061966742 823620283 /nfs/dbraw/zinc/62/02/83/823620283.db2.gz LYNLPZSWHAPCQN-FQEVSTJZSA-N 0 0 397.475 4.308 20 5 GIBDRN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000461359729 823622605 /nfs/dbraw/zinc/62/26/05/823622605.db2.gz CUGBNIKEMRQWND-AWEZNQCLSA-N 0 0 391.855 4.024 20 5 GIBDRN Cn1ccnc1SCc1ccc(C(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000124788462 823626348 /nfs/dbraw/zinc/62/63/48/823626348.db2.gz HXVNMEGGDCXEMB-UHFFFAOYSA-N 0 0 393.808 4.086 20 5 GIBDRN O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461388132 823627864 /nfs/dbraw/zinc/62/78/64/823627864.db2.gz MIGPWCDQUPANED-NHCUHLMSSA-N 0 0 388.423 4.273 20 5 GIBDRN O=C(N[C@H](CO)C1CCCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000461395206 823629154 /nfs/dbraw/zinc/62/91/54/823629154.db2.gz TXHPTFGUYBPCJP-MRXNPFEDSA-N 0 0 386.473 4.027 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@@H](C)CO1 ZINC000412144421 823630106 /nfs/dbraw/zinc/63/01/06/823630106.db2.gz 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CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000461439909 823637902 /nfs/dbraw/zinc/63/79/02/823637902.db2.gz VWDZZOQUMUCKGB-BDVYOWHSSA-N 0 0 385.464 4.276 20 5 GIBDRN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000412242862 823639276 /nfs/dbraw/zinc/63/92/76/823639276.db2.gz AIVWGMHLIXPXBP-BURNTYAHSA-N 0 0 398.434 4.216 20 5 GIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC3 ZINC000412256473 823640482 /nfs/dbraw/zinc/64/04/82/823640482.db2.gz RCOCODPDOIDVHV-RIFZZMRRSA-N 0 0 389.455 4.162 20 5 GIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)onc1C(F)(F)F ZINC000412260760 823641079 /nfs/dbraw/zinc/64/10/79/823641079.db2.gz TXNWYWOAMJSGIL-UHFFFAOYSA-N 0 0 387.314 4.204 20 5 GIBDRN C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)[C@H]1C ZINC000461478550 823645025 /nfs/dbraw/zinc/64/50/25/823645025.db2.gz HWEGDJKJUMCMHF-KGLIPLIRSA-N 0 0 383.477 4.198 20 5 GIBDRN CC(C)Oc1cc(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412317715 823646000 /nfs/dbraw/zinc/64/60/00/823646000.db2.gz ZYOHCXSJLLEZIW-KRWDZBQOSA-N 0 0 397.475 4.028 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCCCCC3)n2Cc2cccs2)c1 ZINC000461494886 823648307 /nfs/dbraw/zinc/64/83/07/823648307.db2.gz YQLZIXUFVOZMJX-UHFFFAOYSA-N 0 0 383.477 4.344 20 5 GIBDRN CC(C)Oc1cc(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)ccc1[N+](=O)[O-] ZINC000412351144 823648974 /nfs/dbraw/zinc/64/89/74/823648974.db2.gz AJOUWEVXAPSAHV-IEBWSBKVSA-N 0 0 384.432 4.032 20 5 GIBDRN C[C@@H](C1CC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461499736 823649268 /nfs/dbraw/zinc/64/92/68/823649268.db2.gz SYQSCWPWFGVUSC-ZDUSSCGKSA-N 0 0 383.477 4.198 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@H]1C ZINC000412357734 823649503 /nfs/dbraw/zinc/64/95/03/823649503.db2.gz AKUXRZYMBGGVIM-JTMTTYTKSA-N 0 0 393.443 4.098 20 5 GIBDRN O=C(NCc1cccc(OCc2ccccc2)c1)NCc1cccc([N+](=O)[O-])c1 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397.410 4.458 20 5 GIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176263566 823166654 /nfs/dbraw/zinc/16/66/54/823166654.db2.gz IPONKJMLOUSNKI-LJZMDLFKSA-N 0 0 395.868 4.211 20 5 GIBDRN CC(C)CCOC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000571336424 823167064 /nfs/dbraw/zinc/16/70/64/823167064.db2.gz HMUVYKGGLKHACC-UHFFFAOYSA-N 0 0 399.495 4.220 20 5 GIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264473 823167254 /nfs/dbraw/zinc/16/72/54/823167254.db2.gz WFAHWMMQSCILJB-RPHGYIDUSA-N 0 0 395.868 4.211 20 5 GIBDRN CCOc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000121350807 823168453 /nfs/dbraw/zinc/16/84/53/823168453.db2.gz DPWFYVICRORBCG-HXUWFJFHSA-N 0 0 395.390 4.047 20 5 GIBDRN O=C(NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121368114 823171471 /nfs/dbraw/zinc/17/14/71/823171471.db2.gz ATBIDCNJVFAPOR-UHFFFAOYSA-N 0 0 390.424 4.197 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000121380501 823174139 /nfs/dbraw/zinc/17/41/39/823174139.db2.gz OSYGHNXAOVWGRW-CQSZACIVSA-N 0 0 396.472 4.124 20 5 GIBDRN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176305234 823177374 /nfs/dbraw/zinc/17/73/74/823177374.db2.gz VFYAXKKUDQZEDN-UHFFFAOYSA-N 0 0 392.799 4.082 20 5 GIBDRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176314480 823179958 /nfs/dbraw/zinc/17/99/58/823179958.db2.gz QJYGIGOTSKTAOE-UHFFFAOYSA-N 0 0 375.793 4.330 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000121427413 823182395 /nfs/dbraw/zinc/18/23/95/823182395.db2.gz NLWCRIPYRSOXMZ-LJQANCHMSA-N 0 0 383.448 4.006 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2coc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000176327396 823182671 /nfs/dbraw/zinc/18/26/71/823182671.db2.gz RGTBYVTZUIUWPQ-AWEZNQCLSA-N 0 0 380.404 4.119 20 5 GIBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000121459978 823188675 /nfs/dbraw/zinc/18/86/75/823188675.db2.gz ISVHQIQFOOZLQL-UHFFFAOYSA-N 0 0 389.717 4.145 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(COc3cccc(F)c3)no2)c(Br)c1 ZINC000188105900 823187362 /nfs/dbraw/zinc/18/73/62/823187362.db2.gz YQSUUDDRAFCEEW-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000176368435 823192534 /nfs/dbraw/zinc/19/25/34/823192534.db2.gz DSJIECYWFIRKKL-UHFFFAOYSA-N 0 0 384.432 4.050 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(c2ccc(F)cc2F)CCC1 ZINC000121492737 823194355 /nfs/dbraw/zinc/19/43/55/823194355.db2.gz PUIXLHIQLWNAJQ-UHFFFAOYSA-N 0 0 385.370 4.092 20 5 GIBDRN COc1cc(Cc2noc(C(C)(C)COCc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000571564122 823201115 /nfs/dbraw/zinc/20/11/15/823201115.db2.gz DGBNVYIVTZGIRM-UHFFFAOYSA-N 0 0 397.431 4.072 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000176394114 823197899 /nfs/dbraw/zinc/19/78/99/823197899.db2.gz IUFQYEZIQUCTQW-HOTGVXAUSA-N 0 0 393.447 4.210 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000121539635 823202412 /nfs/dbraw/zinc/20/24/12/823202412.db2.gz CRSMFTXGELOICN-OAQYLSRUSA-N 0 0 398.484 4.021 20 5 GIBDRN COc1ccccc1-n1ncc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1C ZINC000571601218 823206233 /nfs/dbraw/zinc/20/62/33/823206233.db2.gz JPFSWNAPMUVLCB-UHFFFAOYSA-N 0 0 391.387 4.123 20 5 GIBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 ZINC000121571887 823208572 /nfs/dbraw/zinc/20/85/72/823208572.db2.gz XNBFTVUMOKNVLX-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000121592382 823212486 /nfs/dbraw/zinc/21/24/86/823212486.db2.gz ISHXWLXJOIGMDX-ZDUSSCGKSA-N 0 0 391.221 4.089 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1c(F)ccc(F)c1F ZINC000121594131 823212689 /nfs/dbraw/zinc/21/26/89/823212689.db2.gz FFMRATCNOYQEAJ-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121593113 823212736 /nfs/dbraw/zinc/21/27/36/823212736.db2.gz UXXFYZLCUMMCQD-QAPCUYQASA-N 0 0 387.386 4.103 20 5 GIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(COc3ccccc3F)no2)c1 ZINC000188310276 823218004 /nfs/dbraw/zinc/21/80/04/823218004.db2.gz XMMBQUXBRZLMOP-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN C[C@@H](NC(=O)N[C@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000056806211 823217333 /nfs/dbraw/zinc/21/73/33/823217333.db2.gz FUIUVLLCFOARKX-BZNIZROVSA-N 0 0 375.812 4.132 20 5 GIBDRN Cc1c(CC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-] ZINC000121629389 823218903 /nfs/dbraw/zinc/21/89/03/823218903.db2.gz TWSHCDYNQMRYEL-AWEZNQCLSA-N 0 0 381.457 4.447 20 5 GIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1Cl ZINC000121663111 823225420 /nfs/dbraw/zinc/22/54/20/823225420.db2.gz QRYUPEZGZIMAIJ-UHFFFAOYSA-N 0 0 379.756 4.034 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCc2sc(Cl)cc21 ZINC000571728411 823226362 /nfs/dbraw/zinc/22/63/62/823226362.db2.gz GNWLPENQNHNMBB-GFCCVEGCSA-N 0 0 386.260 4.450 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CCOCc1ccccc1 ZINC000571750655 823229687 /nfs/dbraw/zinc/22/96/87/823229687.db2.gz ZJCZRXZICASPFA-CQSZACIVSA-N 0 0 376.840 4.282 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000121688537 823230792 /nfs/dbraw/zinc/23/07/92/823230792.db2.gz LWFUVIGLCMXMRK-OAHLLOKOSA-N 0 0 385.439 4.136 20 5 GIBDRN Cc1cccc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1[N+](=O)[O-] ZINC000188383451 823230786 /nfs/dbraw/zinc/23/07/86/823230786.db2.gz ICYDFHIFEFBXMY-UHFFFAOYSA-N 0 0 393.487 4.311 20 5 GIBDRN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccco1 ZINC000409484108 823231786 /nfs/dbraw/zinc/23/17/86/823231786.db2.gz KRNROYAFVWZFDD-SFHVURJKSA-N 0 0 395.415 4.013 20 5 GIBDRN CSc1ccccc1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176537861 823231945 /nfs/dbraw/zinc/23/19/45/823231945.db2.gz DBHVZZIASGDQEU-UHFFFAOYSA-N 0 0 381.251 4.356 20 5 GIBDRN Cc1noc(C2CN(Cc3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000459604282 823228650 /nfs/dbraw/zinc/22/86/50/823228650.db2.gz JLTNTBBYWGVSSX-UHFFFAOYSA-N 0 0 396.472 4.345 20 5 GIBDRN O=C(N[C@@H]1CCCCC[C@H]1O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000571794231 823235099 /nfs/dbraw/zinc/23/50/99/823235099.db2.gz LGWOWSAADFQNOS-NVXWUHKLSA-N 0 0 386.473 4.169 20 5 GIBDRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000057014406 823239891 /nfs/dbraw/zinc/23/98/91/823239891.db2.gz ZTDHVEWSZFKBNP-AWEZNQCLSA-N 0 0 388.445 4.254 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3s2)cn1 ZINC000121741318 823240902 /nfs/dbraw/zinc/24/09/02/823240902.db2.gz ALGNUGXZGJMGPG-UHFFFAOYSA-N 0 0 390.424 4.448 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000176578740 823240916 /nfs/dbraw/zinc/24/09/16/823240916.db2.gz DALZZNXBFYOZOL-XLIONFOSSA-N 0 0 397.475 4.007 20 5 GIBDRN O=C(Nc1nccn1Cc1ccccc1Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176587778 823242867 /nfs/dbraw/zinc/24/28/67/823242867.db2.gz NQQKPUBTNOGXRZ-UHFFFAOYSA-N 0 0 391.214 4.399 20 5 GIBDRN O=c1ccccn1C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000409528476 823242221 /nfs/dbraw/zinc/24/22/21/823242221.db2.gz QAIZUGHNZLWIJL-FQEVSTJZSA-N 0 0 386.411 4.158 20 5 GIBDRN O=C(Nc1cccc(COCc2ccco2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000057059883 823245103 /nfs/dbraw/zinc/24/51/03/823245103.db2.gz OAOCUKVYKVITKM-UHFFFAOYSA-N 0 0 392.371 4.033 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000121767847 823246206 /nfs/dbraw/zinc/24/62/06/823246206.db2.gz MCUGKCQVJTYCTR-DZGCQCFKSA-N 0 0 383.404 4.138 20 5 GIBDRN COc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc([N+](=O)[O-])c1C ZINC000188488770 823249672 /nfs/dbraw/zinc/24/96/72/823249672.db2.gz DSPQEGDQRVBYDN-UWJYYQICSA-N 0 0 398.459 4.118 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCc4c(F)ccc(F)c4C3)n2C2CC2)c1 ZINC000571889633 823250095 /nfs/dbraw/zinc/25/00/95/823250095.db2.gz XEEVVCWEYGUEOY-UHFFFAOYSA-N 0 0 397.385 4.029 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2ccc(F)cc2)no1 ZINC000571922102 823254626 /nfs/dbraw/zinc/25/46/26/823254626.db2.gz CVMLOESAXQKEQX-AWEZNQCLSA-N 0 0 398.394 4.034 20 5 GIBDRN Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1[N+](=O)[O-] ZINC000001284599 817375881 /nfs/dbraw/zinc/37/58/81/817375881.db2.gz IYRFIZWIAQNTRE-UHFFFAOYSA-N 0 0 387.392 4.183 20 5 GIBDRN Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001284515 817375902 /nfs/dbraw/zinc/37/59/02/817375902.db2.gz FOWGUYUGDLIWOI-UHFFFAOYSA-N 0 0 392.411 4.500 20 5 GIBDRN Cc1cc2nnc(SCCOc3ccc([N+](=O)[O-])cc3)n2c2ccccc12 ZINC000001924342 817377278 /nfs/dbraw/zinc/37/72/78/817377278.db2.gz JBVAHLQFUGFHBE-UHFFFAOYSA-N 0 0 380.429 4.270 20 5 GIBDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001983992 817379512 /nfs/dbraw/zinc/37/95/12/817379512.db2.gz IIKGRLAIXKMXOG-CQSZACIVSA-N 0 0 384.432 4.212 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000001984529 817379578 /nfs/dbraw/zinc/37/95/78/817379578.db2.gz WYXIQPCMHRHOTD-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121848565 823262159 /nfs/dbraw/zinc/26/21/59/823262159.db2.gz BREJWWNXIGRZJQ-UHFFFAOYSA-N 0 0 398.337 4.200 20 5 GIBDRN CCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000003386539 817446761 /nfs/dbraw/zinc/44/67/61/817446761.db2.gz DYCVCKHADHINJM-UHFFFAOYSA-N 0 0 378.812 4.116 20 5 GIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000003444093 817456799 /nfs/dbraw/zinc/45/67/99/817456799.db2.gz UJMWNPFAWMWXLQ-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003495060 817469229 /nfs/dbraw/zinc/46/92/29/817469229.db2.gz JWUSKTAZOURJQP-SSDOTTSWSA-N 0 0 389.216 4.147 20 5 GIBDRN CC1CCN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n32)CC1 ZINC000003507009 817472528 /nfs/dbraw/zinc/47/25/28/817472528.db2.gz SGIYNIWJMNGFKY-UHFFFAOYSA-N 0 0 390.512 4.386 20 5 GIBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)ccc1Cl ZINC000003529707 817479116 /nfs/dbraw/zinc/47/91/16/817479116.db2.gz TWAKQGLGSAJBAY-UHFFFAOYSA-N 0 0 384.171 4.125 20 5 GIBDRN O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000004219527 817510455 /nfs/dbraw/zinc/51/04/55/817510455.db2.gz ICTGTOPMOPFTIV-UHFFFAOYSA-N 0 0 396.424 4.022 20 5 GIBDRN COc1cc(N[C@@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000409635293 823268499 /nfs/dbraw/zinc/26/84/99/823268499.db2.gz KIWXDEBRCYIZMB-CYBMUJFWSA-N 0 0 379.210 4.302 20 5 GIBDRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)cs1 ZINC000572006674 823268648 /nfs/dbraw/zinc/26/86/48/823268648.db2.gz BGJWFVIOSQQUDR-QGZVFWFLSA-N 0 0 396.476 4.295 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OC(F)F ZINC000409639962 823270224 /nfs/dbraw/zinc/27/02/24/823270224.db2.gz SXEAWLDICLUXJO-ZDUSSCGKSA-N 0 0 392.406 4.113 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000459891074 823270260 /nfs/dbraw/zinc/27/02/60/823270260.db2.gz ZLVVDPBYQZHPQT-QGZVFWFLSA-N 0 0 378.787 4.277 20 5 GIBDRN CSc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000004797125 817534982 /nfs/dbraw/zinc/53/49/82/817534982.db2.gz VBOSNHNPSVKTDM-UHFFFAOYSA-N 0 0 394.836 4.074 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](COC(F)F)C1 ZINC000572021640 823270510 /nfs/dbraw/zinc/27/05/10/823270510.db2.gz ZLRONWYWOVJIEM-ZDUSSCGKSA-N 0 0 392.358 4.088 20 5 GIBDRN CCCc1cc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])sc1C ZINC000004928687 817541708 /nfs/dbraw/zinc/54/17/08/817541708.db2.gz SISPVZNZRGLHKQ-UHFFFAOYSA-N 0 0 376.434 4.021 20 5 GIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1Cc1ccccc1 ZINC000005020728 817546448 /nfs/dbraw/zinc/54/64/48/817546448.db2.gz XNCRFJHODOEJIJ-UHFFFAOYSA-N 0 0 396.424 4.043 20 5 GIBDRN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc([N+](=O)[O-])c1 ZINC000005146666 817554883 /nfs/dbraw/zinc/55/48/83/817554883.db2.gz HPFZWZAUMNMJKK-UHFFFAOYSA-N 0 0 378.413 4.152 20 5 GIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(N2CCCC2)c(F)c1 ZINC000176702314 823271648 /nfs/dbraw/zinc/27/16/48/823271648.db2.gz USYVGCFRIJGMMI-UHFFFAOYSA-N 0 0 380.379 4.135 20 5 GIBDRN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000572033277 823271658 /nfs/dbraw/zinc/27/16/58/823271658.db2.gz CBHNRUZYEJWPPT-MPBGBICISA-N 0 0 388.398 4.072 20 5 GIBDRN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000572033279 823272039 /nfs/dbraw/zinc/27/20/39/823272039.db2.gz CBHNRUZYEJWPPT-YUNKPMOVSA-N 0 0 388.398 4.072 20 5 GIBDRN Cc1ccc(Nc2nc(COC(=O)COc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000005280695 817568160 /nfs/dbraw/zinc/56/81/60/817568160.db2.gz KFMTZDGUVOQYKB-UHFFFAOYSA-N 0 0 399.428 4.226 20 5 GIBDRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000188611561 823272462 /nfs/dbraw/zinc/27/24/62/823272462.db2.gz IKILNAOSRXXIMU-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)Nc1ccccc1 ZINC000409648246 823273169 /nfs/dbraw/zinc/27/31/69/823273169.db2.gz QAXBGOMLWMACFV-UHFFFAOYSA-N 0 0 395.440 4.300 20 5 GIBDRN C[C@@H](OC(=O)CCSc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005468311 817587025 /nfs/dbraw/zinc/58/70/25/817587025.db2.gz NZJVKFRPULNRJJ-CYBMUJFWSA-N 0 0 399.428 4.431 20 5 GIBDRN Cc1ccccc1SCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005473218 817587472 /nfs/dbraw/zinc/58/74/72/817587472.db2.gz QWCDKTFEJRFCNE-CYBMUJFWSA-N 0 0 399.428 4.350 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](OC(=O)C1CCC1)c1ccccc1 ZINC000005507348 817590171 /nfs/dbraw/zinc/59/01/71/817590171.db2.gz MYZTVBXJMUFSGS-QGZVFWFLSA-N 0 0 388.807 4.271 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000005603389 817599060 /nfs/dbraw/zinc/59/90/60/817599060.db2.gz NDJKEJOWBHZYPI-UHFFFAOYSA-N 0 0 378.384 4.191 20 5 GIBDRN CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000005680672 817608580 /nfs/dbraw/zinc/60/85/80/817608580.db2.gz DHVCVKCELUDCRS-VLIAUNLRSA-N 0 0 384.432 4.215 20 5 GIBDRN O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005966268 817632825 /nfs/dbraw/zinc/63/28/25/817632825.db2.gz WYLHLTLBNSMTPB-UHFFFAOYSA-N 0 0 376.368 4.204 20 5 GIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057282048 823275544 /nfs/dbraw/zinc/27/55/44/823275544.db2.gz AYZUBTFCWVATBI-LBPRGKRZSA-N 0 0 382.395 4.027 20 5 GIBDRN O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006065278 817648315 /nfs/dbraw/zinc/64/83/15/817648315.db2.gz RPLZNSBTRUYAJC-FPYGCLRLSA-N 0 0 395.198 4.097 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1[N+](=O)[O-] ZINC000176719779 823276489 /nfs/dbraw/zinc/27/64/89/823276489.db2.gz PEUYITJAESFOQR-OAHLLOKOSA-N 0 0 383.448 4.292 20 5 GIBDRN CC[C@H](c1ccncc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176722593 823277043 /nfs/dbraw/zinc/27/70/43/823277043.db2.gz GJYHRPIQDBTCJI-OAHLLOKOSA-N 0 0 397.884 4.114 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000176722235 823277126 /nfs/dbraw/zinc/27/71/26/823277126.db2.gz FBMILKGNLXFLRQ-NSHDSACASA-N 0 0 391.811 4.211 20 5 GIBDRN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Oc1cccnc1 ZINC000057308275 823277585 /nfs/dbraw/zinc/27/75/85/823277585.db2.gz FDMMALDCSSORDX-UHFFFAOYSA-N 0 0 379.372 4.108 20 5 GIBDRN O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006436977 817692554 /nfs/dbraw/zinc/69/25/54/817692554.db2.gz WMUKBAPEAPWNOA-UHFFFAOYSA-N 0 0 394.836 4.140 20 5 GIBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(-c3cccnc3)cc2)c1[N+](=O)[O-] ZINC000176739691 823282003 /nfs/dbraw/zinc/28/20/03/823282003.db2.gz HZMMFHCDTUKHNV-AWEZNQCLSA-N 0 0 392.415 4.402 20 5 GIBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2cccc(OC(F)F)c21 ZINC000057362500 823282543 /nfs/dbraw/zinc/28/25/43/823282543.db2.gz RLNZACPZDWTUJY-UHFFFAOYSA-N 0 0 382.750 4.443 20 5 GIBDRN O=C(/C=C/c1ccccc1Cl)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006643883 817714818 /nfs/dbraw/zinc/71/48/18/817714818.db2.gz DIFBYOIQAXBSRZ-JXMROGBWSA-N 0 0 385.763 4.055 20 5 GIBDRN Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000006832322 817718124 /nfs/dbraw/zinc/71/81/24/817718124.db2.gz KMMYSYWKLAEREH-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@H](OC(=O)c1ccc(F)cc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006842207 817718793 /nfs/dbraw/zinc/71/87/93/817718793.db2.gz RBAQLYHSNYYYNH-VIFPVBQESA-N 0 0 391.742 4.355 20 5 GIBDRN CCCCC1CCC(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000006917141 817725993 /nfs/dbraw/zinc/72/59/93/817725993.db2.gz SPQICPVXGMSBAL-UHFFFAOYSA-N 0 0 376.453 4.382 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000176751015 823284096 /nfs/dbraw/zinc/28/40/96/823284096.db2.gz JBCXCUNBXKGCHI-HUUCEWRRSA-N 0 0 398.463 4.314 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000176753490 823284536 /nfs/dbraw/zinc/28/45/36/823284536.db2.gz KEFCTOSYFQRDCE-UHFFFAOYSA-N 0 0 398.444 4.246 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)n1 ZINC000176754814 823284570 /nfs/dbraw/zinc/28/45/70/823284570.db2.gz CPXPKEZXQNJTIV-UHFFFAOYSA-N 0 0 386.795 4.421 20 5 GIBDRN COc1ccc(C)cc1NC(=O)[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000007044853 817746128 /nfs/dbraw/zinc/74/61/28/817746128.db2.gz GJMOBUFEAVKDRG-LJQANCHMSA-N 0 0 393.399 4.066 20 5 GIBDRN COc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000057376962 823284867 /nfs/dbraw/zinc/28/48/67/823284867.db2.gz SQCNPQSVPOKBMB-FQEVSTJZSA-N 0 0 380.375 4.262 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2c(C)c1Cl ZINC000007079738 817755322 /nfs/dbraw/zinc/75/53/22/817755322.db2.gz RVDQFOHPRUVPFQ-UHFFFAOYSA-N 0 0 386.791 4.470 20 5 GIBDRN Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000007106438 817760734 /nfs/dbraw/zinc/76/07/34/817760734.db2.gz LIVKTGPJCRXWTE-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000007108308 817761127 /nfs/dbraw/zinc/76/11/27/817761127.db2.gz KXUZTUKDWXGEAM-JTQLQIEISA-N 0 0 388.342 4.064 20 5 GIBDRN O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007109000 817762269 /nfs/dbraw/zinc/76/22/69/817762269.db2.gz OHOXYKCMSHSPON-UHFFFAOYSA-N 0 0 398.198 4.054 20 5 GIBDRN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000007175159 817781655 /nfs/dbraw/zinc/78/16/55/817781655.db2.gz CZKMQCSYKURURE-SNVBAGLBSA-N 0 0 375.841 4.074 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000007182156 817784208 /nfs/dbraw/zinc/78/42/08/817784208.db2.gz NFYCWRRDWCSBGM-LLVKDONJSA-N 0 0 386.458 4.233 20 5 GIBDRN CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000176768736 823288447 /nfs/dbraw/zinc/28/84/47/823288447.db2.gz RKWCGYSGYLZQGA-PWSUYJOCSA-N 0 0 387.299 4.151 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000176770872 823289032 /nfs/dbraw/zinc/28/90/32/823289032.db2.gz YQMJBCUOFTVEIA-NSHDSACASA-N 0 0 386.795 4.098 20 5 GIBDRN O=[N+]([O-])c1ccccc1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000007251823 817804812 /nfs/dbraw/zinc/80/48/12/817804812.db2.gz HKEMCZDNAAZYKZ-UHFFFAOYSA-N 0 0 391.250 4.435 20 5 GIBDRN C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000007302966 817815332 /nfs/dbraw/zinc/81/53/32/817815332.db2.gz KQEYUXMOCNAQHY-NEPJUHHUSA-N 0 0 376.390 4.288 20 5 GIBDRN Cc1cc(Br)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000007304557 817815352 /nfs/dbraw/zinc/81/53/52/817815352.db2.gz MBCHIZHKIRKMTB-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN Cc1cc(C)c(NC(=S)NCCNc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000007326409 817818506 /nfs/dbraw/zinc/81/85/06/817818506.db2.gz IUGKSSHVCNEKML-UHFFFAOYSA-N 0 0 378.885 4.264 20 5 GIBDRN CCc1oc2ccccc2c1/C=C1\N=C(c2ccc(OC)c([N+](=O)[O-])c2)OC1=O ZINC000007351535 817822500 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CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000409871591 823331753 /nfs/dbraw/zinc/33/17/53/823331753.db2.gz RMJADDHJAUNFRD-UHFFFAOYSA-N 0 0 376.821 4.227 20 5 GIBDRN CCc1cccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)NC2=S)c1 ZINC000015253247 818303303 /nfs/dbraw/zinc/30/33/03/818303303.db2.gz XVMHDMNJKGENTK-MHWRWJLKSA-N 0 0 387.848 4.073 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000015270699 818305152 /nfs/dbraw/zinc/30/51/52/818305152.db2.gz JVONRQGKJZLKBD-UHFFFAOYSA-N 0 0 395.371 4.009 20 5 GIBDRN COc1ccc(Br)cc1CN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000015296721 818307969 /nfs/dbraw/zinc/30/79/69/818307969.db2.gz IRUDBEPTUXCUSA-UHFFFAOYSA-N 0 0 395.253 4.007 20 5 GIBDRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000015303706 818310642 /nfs/dbraw/zinc/31/06/42/818310642.db2.gz AUOUPRLVXAONPC-UHFFFAOYSA-N 0 0 391.214 4.017 20 5 GIBDRN CCNc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000015497285 818330247 /nfs/dbraw/zinc/33/02/47/818330247.db2.gz DAZGWMGXELGDLT-UHFFFAOYSA-N 0 0 377.441 4.078 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000460243958 823329055 /nfs/dbraw/zinc/32/90/55/823329055.db2.gz QWOSZHFRUQVQFC-GFCCVEGCSA-N 0 0 387.390 4.349 20 5 GIBDRN Cc1cc(C)c2c(n1)sc1c2N[C@H](/C=C/c2ccccc2[N+](=O)[O-])NC1=O ZINC000015502473 818331180 /nfs/dbraw/zinc/33/11/80/818331180.db2.gz AAUYKRZKMOQRLT-NPQIQWPPSA-N 0 0 380.429 4.016 20 5 GIBDRN CC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 ZINC000572382476 823329900 /nfs/dbraw/zinc/32/99/00/823329900.db2.gz YHRDPNADJTXVPP-AWEZNQCLSA-N 0 0 383.477 4.199 20 5 GIBDRN CCNc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000015649709 818354826 /nfs/dbraw/zinc/35/48/26/818354826.db2.gz PMFYABCRDRLSBW-UHFFFAOYSA-N 0 0 378.226 4.350 20 5 GIBDRN CCCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCCC ZINC000015951664 818379382 /nfs/dbraw/zinc/37/93/82/818379382.db2.gz JYMDXYLYFWPEOL-UHFFFAOYSA-N 0 0 388.420 4.433 20 5 GIBDRN Cc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 ZINC000016014837 818384784 /nfs/dbraw/zinc/38/47/84/818384784.db2.gz URSCZLDBPHKUPV-UHFFFAOYSA-N 0 0 380.404 4.004 20 5 GIBDRN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000016029406 818386754 /nfs/dbraw/zinc/38/67/54/818386754.db2.gz OGYLVMNLCIMNNZ-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN CCSc1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000016048710 818387350 /nfs/dbraw/zinc/38/73/50/818387350.db2.gz QUXPUMYFLOJECL-MRVPVSSYSA-N 0 0 395.491 4.462 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000016144651 818397942 /nfs/dbraw/zinc/39/79/42/818397942.db2.gz SJDHVGZQQPERJJ-GFCCVEGCSA-N 0 0 396.852 4.123 20 5 GIBDRN O=C(CNc1ccc(CCC(F)(F)F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000176958381 823334516 /nfs/dbraw/zinc/33/45/16/823334516.db2.gz JMDNXGHBTNGNCE-UHFFFAOYSA-N 0 0 393.365 4.091 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000016196626 818404775 /nfs/dbraw/zinc/40/47/75/818404775.db2.gz ALZHQLINISHEDF-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000016324865 818423776 /nfs/dbraw/zinc/42/37/76/818423776.db2.gz LJDQQUUWLMSANX-UHFFFAOYSA-N 0 0 384.413 4.349 20 5 GIBDRN NC(=O)c1ccnc(Nc2cccc(CSC3CCCCC3)c2)c1[N+](=O)[O-] ZINC000572418537 823336085 /nfs/dbraw/zinc/33/60/85/823336085.db2.gz JXCSNPKHHLYLGE-UHFFFAOYSA-N 0 0 386.477 4.398 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cnn1CCC(C)C ZINC000122309419 823336074 /nfs/dbraw/zinc/33/60/74/823336074.db2.gz HGGCBZXTZZCPLZ-CQSZACIVSA-N 0 0 376.482 4.265 20 5 GIBDRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176965869 823336783 /nfs/dbraw/zinc/33/67/83/823336783.db2.gz QQDNXGCBBAOOHX-UHFFFAOYSA-N 0 0 378.310 4.218 20 5 GIBDRN Cc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000188980550 823337743 /nfs/dbraw/zinc/33/77/43/823337743.db2.gz FSEINAMAMDSVOD-UHFFFAOYSA-N 0 0 377.400 4.058 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000122322006 823337946 /nfs/dbraw/zinc/33/79/46/823337946.db2.gz PVSRQLSVNTXPIZ-UHFFFAOYSA-N 0 0 395.806 4.096 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000016643969 818462618 /nfs/dbraw/zinc/46/26/18/818462618.db2.gz NDQWZFXYFKBUBI-CQSZACIVSA-N 0 0 396.447 4.042 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)cs1 ZINC000016705879 818466377 /nfs/dbraw/zinc/46/63/77/818466377.db2.gz ZGPVOSSQMAUOFI-UHFFFAOYSA-N 0 0 387.392 4.330 20 5 GIBDRN Cc1cc(C)c(OC(=O)c2cccc(OCc3cscn3)c2)c([N+](=O)[O-])c1 ZINC000016706823 818467084 /nfs/dbraw/zinc/46/70/84/818467084.db2.gz MWMXPTUFXJHERX-UHFFFAOYSA-N 0 0 384.413 4.466 20 5 GIBDRN CCNc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000016722080 818468849 /nfs/dbraw/zinc/46/88/49/818468849.db2.gz JMSNJZIOORSPGK-UHFFFAOYSA-N 0 0 375.454 4.178 20 5 GIBDRN Cc1c(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000016969421 818494891 /nfs/dbraw/zinc/49/48/91/818494891.db2.gz BTDMPIQVDKAASQ-UHFFFAOYSA-N 0 0 388.851 4.035 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCCOc1ccc(Cl)cc1 ZINC000016978223 818496257 /nfs/dbraw/zinc/49/62/57/818496257.db2.gz HJUWJICEQMFCCY-UHFFFAOYSA-N 0 0 394.880 4.316 20 5 GIBDRN O=C(OCc1nc2ccccc2c2ccccc12)c1ccc2c(c1)OCC(=O)N2 ZINC000017267401 818504150 /nfs/dbraw/zinc/50/41/50/818504150.db2.gz NTRINWOIIVVIPR-UHFFFAOYSA-N 0 0 384.391 4.076 20 5 GIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccncc1 ZINC000017586007 818520436 /nfs/dbraw/zinc/52/04/36/818520436.db2.gz DGBDOZPDWHYHIB-UHFFFAOYSA-N 0 0 399.410 4.024 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000017749498 818526759 /nfs/dbraw/zinc/52/67/59/818526759.db2.gz BSALUYHRYCWNPE-UHFFFAOYSA-N 0 0 386.408 4.163 20 5 GIBDRN CCCNc1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000017886978 818531530 /nfs/dbraw/zinc/53/15/30/818531530.db2.gz ZHDZZCFKNRACOE-VIFPVBQESA-N 0 0 392.466 4.172 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 ZINC000017919053 818533315 /nfs/dbraw/zinc/53/33/15/818533315.db2.gz FVFQZWQOBHWDEZ-UHFFFAOYSA-N 0 0 384.379 4.308 20 5 GIBDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000018091712 818544975 /nfs/dbraw/zinc/54/49/75/818544975.db2.gz SQBPBPULTCSLNN-UHFFFAOYSA-N 0 0 378.432 4.389 20 5 GIBDRN CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460302063 823345516 /nfs/dbraw/zinc/34/55/16/823345516.db2.gz CRSLKDCXPQYFGC-UHFFFAOYSA-N 0 0 390.447 4.033 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000018456647 818568946 /nfs/dbraw/zinc/56/89/46/818568946.db2.gz QWMLFYOEOLSEND-GFCCVEGCSA-N 0 0 388.395 4.215 20 5 GIBDRN COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000018704192 818574801 /nfs/dbraw/zinc/57/48/01/818574801.db2.gz GAAGXKIVWBOICL-UHFFFAOYSA-N 0 0 392.411 4.112 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000018703199 818574911 /nfs/dbraw/zinc/57/49/11/818574911.db2.gz VQJXOUAIBRDVHP-NSHDSACASA-N 0 0 386.458 4.233 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000018769465 818577224 /nfs/dbraw/zinc/57/72/24/818577224.db2.gz CFDYWAIMFBYFTL-INIZCTEOSA-N 0 0 397.412 4.006 20 5 GIBDRN CCCCCn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2c1=O ZINC000019164801 818585878 /nfs/dbraw/zinc/58/58/78/818585878.db2.gz FDTAJMKMFFFZCW-UHFFFAOYSA-N 0 0 394.431 4.056 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC ZINC000019310959 818590910 /nfs/dbraw/zinc/59/09/10/818590910.db2.gz PHMUIKVCRLSVTR-LBPRGKRZSA-N 0 0 384.388 4.239 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC000460309551 823348258 /nfs/dbraw/zinc/34/82/58/823348258.db2.gz UHOUUUUZQMJBAZ-GOSISDBHSA-N 0 0 381.411 4.354 20 5 GIBDRN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000019629042 818597083 /nfs/dbraw/zinc/59/70/83/818597083.db2.gz ATMOASYMZITYCT-UHFFFAOYSA-N 0 0 385.420 4.112 20 5 GIBDRN CCCC[C@H](CC)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000019676615 818597577 /nfs/dbraw/zinc/59/75/77/818597577.db2.gz PZFBYMWUPGNOPK-KRWDZBQOSA-N 0 0 386.496 4.403 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000019681277 818598202 /nfs/dbraw/zinc/59/82/02/818598202.db2.gz ROQNTHAUIHNESQ-UHFFFAOYSA-N 0 0 382.869 4.156 20 5 GIBDRN CC(C)Oc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122433371 823353573 /nfs/dbraw/zinc/35/35/73/823353573.db2.gz RQTGMPVHCSSBOB-UHFFFAOYSA-N 0 0 380.347 4.165 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000021119930 818655664 /nfs/dbraw/zinc/65/56/64/818655664.db2.gz QDXGAHRXOMDIPV-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1c(C(=O)OCC(=O)Nc2ccccc2SC(F)F)cccc1[N+](=O)[O-] ZINC000021327820 818676526 /nfs/dbraw/zinc/67/65/26/818676526.db2.gz GLVPMILCOANGIE-UHFFFAOYSA-N 0 0 396.371 4.013 20 5 GIBDRN Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021594580 818711363 /nfs/dbraw/zinc/71/13/63/818711363.db2.gz RUFVJKDRZXOUJM-AWEZNQCLSA-N 0 0 382.445 4.208 20 5 GIBDRN CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000021605432 818712972 /nfs/dbraw/zinc/71/29/72/818712972.db2.gz VMKZDPVTUHGZJH-AWEZNQCLSA-N 0 0 378.469 4.083 20 5 GIBDRN CSc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000021678655 818724833 /nfs/dbraw/zinc/72/48/33/818724833.db2.gz VPCIBDONTXCCDC-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CCOCCOC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000021730277 818731090 /nfs/dbraw/zinc/73/10/90/818731090.db2.gz UZCLUUPAHUSEGX-UHFFFAOYSA-N 0 0 395.795 4.242 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000021905697 818754019 /nfs/dbraw/zinc/75/40/19/818754019.db2.gz ZFSQDNMQBXCEPS-IBGZPJMESA-N 0 0 376.412 4.074 20 5 GIBDRN CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000022047340 818766667 /nfs/dbraw/zinc/76/66/67/818766667.db2.gz QASOBBOGDHVMLO-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022090830 818771341 /nfs/dbraw/zinc/77/13/41/818771341.db2.gz FFKZVEKOJICZBI-UHFFFAOYSA-N 0 0 398.463 4.180 20 5 GIBDRN CC(C)c1csc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000022140680 818776373 /nfs/dbraw/zinc/77/63/73/818776373.db2.gz ZTGLANHKBSHRSO-UHFFFAOYSA-N 0 0 377.469 4.373 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000177065987 823363219 /nfs/dbraw/zinc/36/32/19/823363219.db2.gz FBVNTPCIQDLNIG-ZYHUDNBSSA-N 0 0 377.491 4.381 20 5 GIBDRN Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 ZINC000022252832 818786473 /nfs/dbraw/zinc/78/64/73/818786473.db2.gz KWCSESXMXBTVCB-UHFFFAOYSA-N 0 0 389.480 4.126 20 5 GIBDRN COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2nccn2C)c1 ZINC000022262910 818787525 /nfs/dbraw/zinc/78/75/25/818787525.db2.gz FCKACNFTQDBRNU-HXUWFJFHSA-N 0 0 389.415 4.087 20 5 GIBDRN CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc1C ZINC000022285480 818789719 /nfs/dbraw/zinc/78/97/19/818789719.db2.gz GMEGNPIWAAKPFZ-LBPRGKRZSA-N 0 0 390.461 4.410 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000409992264 823364816 /nfs/dbraw/zinc/36/48/16/823364816.db2.gz JXBUPQFBURDACD-OAHLLOKOSA-N 0 0 379.416 4.450 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000022467180 818811155 /nfs/dbraw/zinc/81/11/55/818811155.db2.gz IQZNGGCPKWYNGO-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN CCCCSc1nnc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000022490782 818816486 /nfs/dbraw/zinc/81/64/86/818816486.db2.gz KGHBSFKDUBKLBR-JTQLQIEISA-N 0 0 398.535 4.458 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000022495587 818817770 /nfs/dbraw/zinc/81/77/70/818817770.db2.gz VIUAHKAOWYLOFN-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN COc1ccccc1[C@@H](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460368622 823365909 /nfs/dbraw/zinc/36/59/09/823365909.db2.gz ZANMYBZXJLLBHO-XOBRGWDASA-N 0 0 386.473 4.371 20 5 GIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000022547684 818823447 /nfs/dbraw/zinc/82/34/47/818823447.db2.gz STHZFGAECSQJOX-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000022547213 818823654 /nfs/dbraw/zinc/82/36/54/818823654.db2.gz MXYHLMXMYWZZKL-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1ccccc1[C@H](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460368617 823366103 /nfs/dbraw/zinc/36/61/03/823366103.db2.gz ZANMYBZXJLLBHO-VLIAUNLRSA-N 0 0 386.473 4.371 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000022560219 818827293 /nfs/dbraw/zinc/82/72/93/818827293.db2.gz FZSATENGCLNVKF-UHFFFAOYSA-N 0 0 397.435 4.305 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122519101 823366304 /nfs/dbraw/zinc/36/63/04/823366304.db2.gz VVWCDOYMQPREQT-PBHICJAKSA-N 0 0 386.473 4.214 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccc2ccccc21 ZINC000022647844 818836745 /nfs/dbraw/zinc/83/67/45/818836745.db2.gz KRJFPODPWJEYSZ-HNNXBMFYSA-N 0 0 383.473 4.237 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000022668435 818839496 /nfs/dbraw/zinc/83/94/96/818839496.db2.gz MUCMBEYMMQFLED-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN C[C@@H](N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1)C(F)(F)F ZINC000177086777 823367912 /nfs/dbraw/zinc/36/79/12/823367912.db2.gz QHRUOFTUWHMNTQ-CQSZACIVSA-N 0 0 387.405 4.097 20 5 GIBDRN Cc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572606367 823368660 /nfs/dbraw/zinc/36/86/60/823368660.db2.gz PHQKBAGCLBPIIW-UHFFFAOYSA-N 0 0 383.448 4.199 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000022792073 818861441 /nfs/dbraw/zinc/86/14/41/818861441.db2.gz LMFJUIIQYMUYLN-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000022975758 818882520 /nfs/dbraw/zinc/88/25/20/818882520.db2.gz SKETYGJVFTZVGU-AWEZNQCLSA-N 0 0 399.447 4.148 20 5 GIBDRN Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000410023254 823373420 /nfs/dbraw/zinc/37/34/20/823373420.db2.gz WGXJIIICNBFRLO-SFHVURJKSA-N 0 0 379.338 4.284 20 5 GIBDRN CCCCOc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000058251924 823371729 /nfs/dbraw/zinc/37/17/29/823371729.db2.gz LLIFZEAJABFYKS-UHFFFAOYSA-N 0 0 397.431 4.194 20 5 GIBDRN Cc1cc(NC(=O)c2cccnc2C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000189202355 823375154 /nfs/dbraw/zinc/37/51/54/823375154.db2.gz NZSQFOXESULDEO-UHFFFAOYSA-N 0 0 376.294 4.118 20 5 GIBDRN CN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000023490873 818947385 /nfs/dbraw/zinc/94/73/85/818947385.db2.gz BHEWDKJKAOSGNL-UHFFFAOYSA-N 0 0 383.629 4.283 20 5 GIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000023503947 818949733 /nfs/dbraw/zinc/94/97/33/818949733.db2.gz SLIOXTPSFLOZMS-LLVKDONJSA-N 0 0 375.375 4.281 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC(c1cccs1)c1cccs1 ZINC000122583007 823376665 /nfs/dbraw/zinc/37/66/65/823376665.db2.gz UBLCHIKJHZWXKC-UHFFFAOYSA-N 0 0 392.433 4.142 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000460402817 823377817 /nfs/dbraw/zinc/37/78/17/823377817.db2.gz PRLGNEBCCQMDJZ-YPMHNXCESA-N 0 0 388.411 4.497 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2cnn(Cc3cccs3)c2n1 ZINC000023887213 818990260 /nfs/dbraw/zinc/99/02/60/818990260.db2.gz PILGBCSMSSYPCF-UHFFFAOYSA-N 0 0 393.428 4.010 20 5 GIBDRN Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000023951792 818996876 /nfs/dbraw/zinc/99/68/76/818996876.db2.gz IFSMFJFBUXOOIY-UHFFFAOYSA-N 0 0 394.383 4.263 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000023996958 819004841 /nfs/dbraw/zinc/00/48/41/819004841.db2.gz VZBKQAWCAPSGIJ-IBGZPJMESA-N 0 0 379.441 4.231 20 5 GIBDRN CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccc(F)cc1 ZINC000122600794 823379619 /nfs/dbraw/zinc/37/96/19/823379619.db2.gz UJVIVJBKOCEKQB-UHFFFAOYSA-N 0 0 399.407 4.446 20 5 GIBDRN CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC000024039211 819012966 /nfs/dbraw/zinc/01/29/66/819012966.db2.gz SFFCJRJZQSOXBD-UHFFFAOYSA-N 0 0 396.369 4.364 20 5 GIBDRN Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C ZINC000024073116 819018984 /nfs/dbraw/zinc/01/89/84/819018984.db2.gz YIBLAASXHWWMQD-UHFFFAOYSA-N 0 0 387.383 4.134 20 5 GIBDRN Cc1nc(-c2ccsc2)ccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122604240 823380083 /nfs/dbraw/zinc/38/00/83/823380083.db2.gz DSGOIZMCGLKDAP-UHFFFAOYSA-N 0 0 379.401 4.155 20 5 GIBDRN CC(C)c1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000058347188 823381110 /nfs/dbraw/zinc/38/11/10/823381110.db2.gz PELRQBRYISJGNK-UHFFFAOYSA-N 0 0 397.475 4.127 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000024217426 819035516 /nfs/dbraw/zinc/03/55/16/819035516.db2.gz PTFPORPYULLIGT-UHFFFAOYSA-N 0 0 382.445 4.354 20 5 GIBDRN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000177146662 823382533 /nfs/dbraw/zinc/38/25/33/823382533.db2.gz HULNFMKJZFMBRS-ZDUSSCGKSA-N 0 0 387.411 4.083 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000024442015 819057441 /nfs/dbraw/zinc/05/74/41/819057441.db2.gz IJDCMOCXVUCPKB-UHFFFAOYSA-N 0 0 394.349 4.184 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000572706362 823386276 /nfs/dbraw/zinc/38/62/76/823386276.db2.gz KKHCCXAZWPUHPQ-GMTAPVOTSA-N 0 0 387.299 4.460 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000122642760 823386635 /nfs/dbraw/zinc/38/66/35/823386635.db2.gz AAHCPNHYDVYHGI-LFYBBSHMSA-N 0 0 377.375 4.376 20 5 GIBDRN COCCOc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Cl ZINC000410088989 823387631 /nfs/dbraw/zinc/38/76/31/823387631.db2.gz LBWGHGMOLIVZSC-UHFFFAOYSA-N 0 0 389.795 4.007 20 5 GIBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2[nH]1 ZINC000410088358 823387652 /nfs/dbraw/zinc/38/76/52/823387652.db2.gz ZPXHPYRJCQSXPN-KZULUSFZSA-N 0 0 391.431 4.470 20 5 GIBDRN O=C(c1ccccc1)c1ccc(N[C@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000460445223 823391730 /nfs/dbraw/zinc/39/17/30/823391730.db2.gz SFLIUWPMXVHXHN-FQEVSTJZSA-N 0 0 399.410 4.145 20 5 GIBDRN C[C@H](Cn1ccc2ccccc21)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000572761494 823394133 /nfs/dbraw/zinc/39/41/33/823394133.db2.gz QXFFQUYHZORFOH-OAHLLOKOSA-N 0 0 391.431 4.391 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000122701031 823397447 /nfs/dbraw/zinc/39/74/47/823397447.db2.gz ZQLDNBQYLDOGCZ-XOBRGWDASA-N 0 0 380.448 4.307 20 5 GIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000410146811 823401202 /nfs/dbraw/zinc/40/12/02/823401202.db2.gz CPCXDZWOAAKLAE-UHFFFAOYSA-N 0 0 390.443 4.383 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000460481599 823403819 /nfs/dbraw/zinc/40/38/19/823403819.db2.gz UQSMACFXHBIZIB-HOTGVXAUSA-N 0 0 378.350 4.076 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000572805238 823402240 /nfs/dbraw/zinc/40/22/40/823402240.db2.gz KCVNXGTWSCZASF-DJJJIMSYSA-N 0 0 387.436 4.064 20 5 GIBDRN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCc1ccccc1[N+](=O)[O-] ZINC000460489081 823406094 /nfs/dbraw/zinc/40/60/94/823406094.db2.gz KEMLGXQKGAUCDP-UHFFFAOYSA-N 0 0 399.834 4.195 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460492429 823407016 /nfs/dbraw/zinc/40/70/16/823407016.db2.gz UWXPHPKCQQHNMQ-HZPDHXFCSA-N 0 0 379.243 4.364 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000460493920 823407373 /nfs/dbraw/zinc/40/73/73/823407373.db2.gz SYXIIRXRNRGIEK-UHFFFAOYSA-N 0 0 397.818 4.408 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000460508196 823411986 /nfs/dbraw/zinc/41/19/86/823411986.db2.gz JGOJOSJDQQNVGZ-KGLIPLIRSA-N 0 0 379.243 4.364 20 5 GIBDRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460507834 823412079 /nfs/dbraw/zinc/41/20/79/823412079.db2.gz NDVKFYOYPCKQPF-NSHDSACASA-N 0 0 383.231 4.028 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)[C@H]1C[C@H]1C ZINC000572873344 823412176 /nfs/dbraw/zinc/41/21/76/823412176.db2.gz NYFNEPWTVOOYKZ-ODXCJYRJSA-N 0 0 392.415 4.090 20 5 GIBDRN O=C(C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccs1 ZINC000122771852 823409574 /nfs/dbraw/zinc/40/95/74/823409574.db2.gz LHKCKRJKERHVQD-CYBMUJFWSA-N 0 0 378.837 4.187 20 5 GIBDRN COc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC1CCCC1 ZINC000410191921 823415282 /nfs/dbraw/zinc/41/52/82/823415282.db2.gz NFMGGOFOGCRROX-UHFFFAOYSA-N 0 0 382.416 4.128 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000122806206 823415850 /nfs/dbraw/zinc/41/58/50/823415850.db2.gz ZCZHJYKTSVPPPA-UHFFFAOYSA-N 0 0 381.388 4.431 20 5 GIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000410221988 823424160 /nfs/dbraw/zinc/42/41/60/823424160.db2.gz XQXZTGKUOZIBMB-UHFFFAOYSA-N 0 0 375.388 4.037 20 5 GIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000572921223 823419980 /nfs/dbraw/zinc/41/99/80/823419980.db2.gz BECQKJFUKQRTDT-CYBMUJFWSA-N 0 0 398.312 4.396 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460528077 823420177 /nfs/dbraw/zinc/42/01/77/823420177.db2.gz UUHPSBJYRQLEKD-UHFFFAOYSA-N 0 0 394.349 4.188 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000460527250 823420301 /nfs/dbraw/zinc/42/03/01/823420301.db2.gz XMKPFHDGSNQZPY-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN COc1cc(C(=O)NCC[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000410209552 823420520 /nfs/dbraw/zinc/42/05/20/823420520.db2.gz IUHVTGVBQZVWHZ-GFCCVEGCSA-N 0 0 394.374 4.128 20 5 GIBDRN Cc1cc([C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C2CC2)ccc1F ZINC000460542248 823425383 /nfs/dbraw/zinc/42/53/83/823425383.db2.gz CXWLJXLHFNNDCG-FQEVSTJZSA-N 0 0 399.422 4.098 20 5 GIBDRN CCOc1ccc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000460550071 823428604 /nfs/dbraw/zinc/42/86/04/823428604.db2.gz JSZFJLULIKGYNQ-HRAATJIYSA-N 0 0 398.459 4.213 20 5 GIBDRN CSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000410235127 823429133 /nfs/dbraw/zinc/42/91/33/823429133.db2.gz BGCDAVSQGDUYKI-JTQLQIEISA-N 0 0 382.388 4.409 20 5 GIBDRN COc1ccccc1C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000058684356 823430021 /nfs/dbraw/zinc/43/00/21/823430021.db2.gz YRQSLQCDUUGTPY-UHFFFAOYSA-N 0 0 380.347 4.121 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1[N+](=O)[O-] ZINC000122916979 823433695 /nfs/dbraw/zinc/43/36/95/823433695.db2.gz HVHQFNAEYFIHHP-CQSZACIVSA-N 0 0 398.419 4.247 20 5 GIBDRN CC(=O)c1cccc(OCCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000058698483 823434184 /nfs/dbraw/zinc/43/41/84/823434184.db2.gz IGANNYBCIDHSKK-UHFFFAOYSA-N 0 0 398.459 4.394 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] ZINC000024751417 819873558 /nfs/dbraw/zinc/87/35/58/819873558.db2.gz DESJZQLHWXSIKL-UHFFFAOYSA-N 0 0 392.459 4.067 20 5 GIBDRN CCCn1nccc1C1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000410252716 823435090 /nfs/dbraw/zinc/43/50/90/823435090.db2.gz ANFYJGDESXSBDI-GOSISDBHSA-N 0 0 398.507 4.176 20 5 GIBDRN CCCn1nccc1C1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000410252718 823435187 /nfs/dbraw/zinc/43/51/87/823435187.db2.gz ANFYJGDESXSBDI-SFHVURJKSA-N 0 0 398.507 4.176 20 5 GIBDRN Cc1ccnc(Oc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000177329979 823435762 /nfs/dbraw/zinc/43/57/62/823435762.db2.gz YSSOJKJOJOOYTH-NYYWCZLTSA-N 0 0 376.372 4.137 20 5 GIBDRN O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000410258035 823437024 /nfs/dbraw/zinc/43/70/24/823437024.db2.gz COGRJZLLJPBJDJ-JTQLQIEISA-N 0 0 396.312 4.091 20 5 GIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000025010707 819908822 /nfs/dbraw/zinc/90/88/22/819908822.db2.gz VWTJRLUCXSJBEF-UHFFFAOYSA-N 0 0 398.444 4.448 20 5 GIBDRN Cc1c(Br)cc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000410265008 823440161 /nfs/dbraw/zinc/44/01/61/823440161.db2.gz GNEFCHYSPAHPOR-JTQLQIEISA-N 0 0 391.212 4.221 20 5 GIBDRN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000025309013 819959856 /nfs/dbraw/zinc/95/98/56/819959856.db2.gz JCWQQRPNTAQBGL-FQEVSTJZSA-N 0 0 393.399 4.068 20 5 GIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCOc2ccccc21 ZINC000025312587 819961028 /nfs/dbraw/zinc/96/10/28/819961028.db2.gz ZMFHHFZYEZEOHI-UHFFFAOYSA-N 0 0 389.411 4.246 20 5 GIBDRN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000025321825 819961715 /nfs/dbraw/zinc/96/17/15/819961715.db2.gz BXGACHZDPZESCC-UHFFFAOYSA-N 0 0 388.336 4.018 20 5 GIBDRN O=C(NC[C@@H]1CCCC(F)(F)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000410267800 823441720 /nfs/dbraw/zinc/44/17/20/823441720.db2.gz NHLLKVRPVRJKFL-LLVKDONJSA-N 0 0 381.404 4.274 20 5 GIBDRN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025414694 819977129 /nfs/dbraw/zinc/97/71/29/819977129.db2.gz OKFXAYXILGJKHX-QGZVFWFLSA-N 0 0 389.839 4.032 20 5 GIBDRN CC(=O)Nc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000025581815 820004731 /nfs/dbraw/zinc/00/47/31/820004731.db2.gz SMYYMADQXSGFFX-UHFFFAOYSA-N 0 0 390.827 4.037 20 5 GIBDRN O=C(NCc1sccc1Br)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058764533 823446647 /nfs/dbraw/zinc/44/66/47/823446647.db2.gz YLUARKGKRMVCRI-UHFFFAOYSA-N 0 0 375.631 4.002 20 5 GIBDRN O=C(NCc1sccc1Br)c1ccc([N+](=O)[O-])cc1Cl ZINC000058764535 823446659 /nfs/dbraw/zinc/44/66/59/823446659.db2.gz CHMKQKBTDVQVJR-UHFFFAOYSA-N 0 0 375.631 4.002 20 5 GIBDRN CCNc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1[N+](=O)[O-] ZINC000025756004 820022062 /nfs/dbraw/zinc/02/20/62/820022062.db2.gz NWRGMTJIVDIYLL-UHFFFAOYSA-N 0 0 384.436 4.264 20 5 GIBDRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000025772109 820023726 /nfs/dbraw/zinc/02/37/26/820023726.db2.gz NVYWPBANCCHICC-NSHDSACASA-N 0 0 387.823 4.029 20 5 GIBDRN COc1ccc(C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000122965044 823440864 /nfs/dbraw/zinc/44/08/64/823440864.db2.gz JFCYDZDYZWWCQK-NSHDSACASA-N 0 0 380.347 4.022 20 5 GIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OCc1ccncc1 ZINC000025853679 820031527 /nfs/dbraw/zinc/03/15/27/820031527.db2.gz UMECBESWKWQQHQ-UHFFFAOYSA-N 0 0 399.428 4.200 20 5 GIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000025853381 820031548 /nfs/dbraw/zinc/03/15/48/820031548.db2.gz HLSGHWWWXVSRMC-UHFFFAOYSA-N 0 0 397.460 4.202 20 5 GIBDRN CCc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123009119 823447620 /nfs/dbraw/zinc/44/76/20/823447620.db2.gz OEXYWIJXRKHSGM-QUCCMNQESA-N 0 0 386.423 4.025 20 5 GIBDRN O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1F ZINC000058771179 823448383 /nfs/dbraw/zinc/44/83/83/823448383.db2.gz WLDXBBSMOHXBDS-MRXNPFEDSA-N 0 0 380.322 4.143 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000026113854 820059358 /nfs/dbraw/zinc/05/93/58/820059358.db2.gz XQCWTZIWPCPZLD-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3cnc([N+](=O)[O-])c3)n2)cc1 ZINC000026124076 820062305 /nfs/dbraw/zinc/06/23/05/820062305.db2.gz XFOVZZPCRMGFEE-LBPRGKRZSA-N 0 0 385.449 4.067 20 5 GIBDRN COC(=O)c1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000026270899 820077413 /nfs/dbraw/zinc/07/74/13/820077413.db2.gz FZYIXIOZXGDPKL-UHFFFAOYSA-N 0 0 388.763 4.269 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000573129835 823451255 /nfs/dbraw/zinc/45/12/55/823451255.db2.gz SZRUMJCQCBTELI-UHFFFAOYSA-N 0 0 397.410 4.123 20 5 GIBDRN CCSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026509433 820106665 /nfs/dbraw/zinc/10/66/65/820106665.db2.gz GXUXENFUSSXYLT-CYBMUJFWSA-N 0 0 388.445 4.199 20 5 GIBDRN CCn1c(S[C@H](C)C(=O)NC(C)(C)CC)nc2cc3ccccc3cc2c1=O ZINC000026581129 820117109 /nfs/dbraw/zinc/11/71/09/820117109.db2.gz IXSGUHORYMQKSD-CQSZACIVSA-N 0 0 397.544 4.355 20 5 GIBDRN C[C@@H](Sc1nnc(SCc2ccccc2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000026591420 820119308 /nfs/dbraw/zinc/11/93/08/820119308.db2.gz BMLWMQNCZABJJH-GFCCVEGCSA-N 0 0 387.490 4.046 20 5 GIBDRN O=C(NC1CC1)c1ccc(NCCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000026708465 820134937 /nfs/dbraw/zinc/13/49/37/820134937.db2.gz AMZLUTHVXHFFGY-UHFFFAOYSA-N 0 0 391.427 4.131 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000026782903 820143394 /nfs/dbraw/zinc/14/33/94/820143394.db2.gz UHXNIYPNNWBJQQ-LLVKDONJSA-N 0 0 378.812 4.147 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1NCc1ccncc1OCc1ccccc1)CCN2 ZINC000573154766 823456287 /nfs/dbraw/zinc/45/62/87/823456287.db2.gz ORSKLOVKSVBMTQ-UHFFFAOYSA-N 0 0 376.416 4.149 20 5 GIBDRN Cc1ccc(NCCCNC(=O)Nc2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000573169985 823459496 /nfs/dbraw/zinc/45/94/96/823459496.db2.gz BMIFWFKZDQIMJJ-UHFFFAOYSA-N 0 0 394.378 4.128 20 5 GIBDRN CN(C(=O)c1ccccc1C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026863801 820155299 /nfs/dbraw/zinc/15/52/99/820155299.db2.gz YYWNARFCOULTOH-UHFFFAOYSA-N 0 0 390.395 4.228 20 5 GIBDRN CC1CCN(c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2[N+](=O)[O-])CC1 ZINC000460630620 823461260 /nfs/dbraw/zinc/46/12/60/823461260.db2.gz PAMZZTSWMBQPEN-UHFFFAOYSA-N 0 0 383.383 4.082 20 5 GIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000027305311 820223329 /nfs/dbraw/zinc/22/33/29/820223329.db2.gz JMYJZLVFDXPULH-LLVKDONJSA-N 0 0 387.823 4.088 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@]2(CCCOC2)C1 ZINC000573193737 823463925 /nfs/dbraw/zinc/46/39/25/823463925.db2.gz IQTNNVIGHBZWIV-CQSZACIVSA-N 0 0 395.328 4.041 20 5 GIBDRN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027515270 820256035 /nfs/dbraw/zinc/25/60/35/820256035.db2.gz SPVJOZGCTGPKEI-UHFFFAOYSA-N 0 0 393.790 4.210 20 5 GIBDRN CC(=O)Nc1nc(CSc2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000177452697 823465980 /nfs/dbraw/zinc/46/59/80/823465980.db2.gz LIWAUOHVIJXKQY-UHFFFAOYSA-N 0 0 388.268 4.065 20 5 GIBDRN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027659575 820271533 /nfs/dbraw/zinc/27/15/33/820271533.db2.gz FPHWZDSVFJBJAS-UHFFFAOYSA-N 0 0 388.836 4.369 20 5 GIBDRN Cc1c(C(=O)Nc2cccc(COC(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123140805 823468956 /nfs/dbraw/zinc/46/89/56/823468956.db2.gz AFTKLJMRQWYYOQ-UHFFFAOYSA-N 0 0 387.392 4.297 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)Cc2ccc(Cl)s2)cc1OC ZINC000028248699 820320125 /nfs/dbraw/zinc/32/01/25/820320125.db2.gz CBOOAXBEGZZGGI-UHFFFAOYSA-N 0 0 398.868 4.379 20 5 GIBDRN CCSc1cc(Cl)ccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000460661020 823469712 /nfs/dbraw/zinc/46/97/12/823469712.db2.gz VRKCFWFRICXWIG-UHFFFAOYSA-N 0 0 379.869 4.202 20 5 GIBDRN O=C(COc1ccc(OCc2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000028291006 820322477 /nfs/dbraw/zinc/32/24/77/820322477.db2.gz BOMDHSOFIIWNQN-UHFFFAOYSA-N 0 0 393.395 4.296 20 5 GIBDRN COCCOC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000028357201 820329270 /nfs/dbraw/zinc/32/92/70/820329270.db2.gz GKZVGPNXZADHNE-QINSGFPZSA-N 0 0 398.440 4.325 20 5 GIBDRN C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028367469 820329668 /nfs/dbraw/zinc/32/96/68/820329668.db2.gz ARLYTRSLOIWWGH-AWEZNQCLSA-N 0 0 397.431 4.466 20 5 GIBDRN COCc1cccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000028372457 820329849 /nfs/dbraw/zinc/32/98/49/820329849.db2.gz VSJCNWYFTRPZNM-LLVKDONJSA-N 0 0 397.353 4.199 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000028400671 820333057 /nfs/dbraw/zinc/33/30/57/820333057.db2.gz ZRXWXANYICQPBG-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000028423886 820335395 /nfs/dbraw/zinc/33/53/95/820335395.db2.gz UIDMNVHTIQKRSZ-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000028483914 820338973 /nfs/dbraw/zinc/33/89/73/820338973.db2.gz YGGKKXLFCZHIEW-CQSZACIVSA-N 0 0 399.476 4.281 20 5 GIBDRN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000028872611 820365999 /nfs/dbraw/zinc/36/59/99/820365999.db2.gz ABRNFYGSAXRWQI-NSHDSACASA-N 0 0 397.353 4.451 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1ccn(C)c2=O ZINC000410363663 823475181 /nfs/dbraw/zinc/47/51/81/823475181.db2.gz KAOPKXPHDVRBBV-UHFFFAOYSA-N 0 0 397.456 4.201 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000029138013 820397177 /nfs/dbraw/zinc/39/71/77/820397177.db2.gz HMWTZBSXDMTVQJ-LLVKDONJSA-N 0 0 391.374 4.262 20 5 GIBDRN COc1cc(C(=O)NCCCC2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000029227925 820415324 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Cc1onc(-c2ccccc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918566 821344860 /nfs/dbraw/zinc/34/48/60/821344860.db2.gz ONRKQQQALPKHML-UHFFFAOYSA-N 0 0 389.314 4.412 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000042391129 821306311 /nfs/dbraw/zinc/30/63/11/821306311.db2.gz HLJVHFMZYWNOBK-UHFFFAOYSA-N 0 0 395.440 4.147 20 5 GIBDRN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1csc([N+](=O)[O-])c1 ZINC000042568471 821311211 /nfs/dbraw/zinc/31/12/11/821311211.db2.gz BULKUUGEKXTIDD-UHFFFAOYSA-N 0 0 390.490 4.228 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000042672117 821323501 /nfs/dbraw/zinc/32/35/01/821323501.db2.gz HSYQNOVAGDYTCN-SNVBAGLBSA-N 0 0 398.337 4.122 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(Br)c1 ZINC000042918096 821344307 /nfs/dbraw/zinc/34/43/07/821344307.db2.gz OWPKWGXPVZQUGU-UHFFFAOYSA-N 0 0 393.165 4.273 20 5 GIBDRN Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] ZINC000043147461 821368536 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821812382 /nfs/dbraw/zinc/81/23/82/821812382.db2.gz AQGIGYWAWSONMJ-AWEZNQCLSA-N 0 0 382.445 4.208 20 5 GIBDRN COc1cc(CNc2nnc(C3CC3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000181508266 821859631 /nfs/dbraw/zinc/85/96/31/821859631.db2.gz JDTQAXQKGNEZAZ-UHFFFAOYSA-N 0 0 396.403 4.055 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000181573100 821885125 /nfs/dbraw/zinc/88/51/25/821885125.db2.gz ZRXRPZYPLLEKCL-AWEZNQCLSA-N 0 0 386.473 4.487 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000181583371 821889187 /nfs/dbraw/zinc/88/91/87/821889187.db2.gz VIIGVBIXJMXPRH-RHSMWYFYSA-N 0 0 388.493 4.015 20 5 GIBDRN Cc1c(CC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000181610905 821902641 /nfs/dbraw/zinc/90/26/41/821902641.db2.gz ZUDGESYEGHHZRN-MRXNPFEDSA-N 0 0 388.292 4.144 20 5 GIBDRN O=C(NCCCc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181650354 821922867 /nfs/dbraw/zinc/92/28/67/821922867.db2.gz BDKALMQSNZNYNP-UHFFFAOYSA-N 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ZINC000181809695 822001700 /nfs/dbraw/zinc/00/17/00/822001700.db2.gz DWQMVOSOLSUCPV-SNVBAGLBSA-N 0 0 392.337 4.221 20 5 GIBDRN CN(CCc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181896756 822029711 /nfs/dbraw/zinc/02/97/11/822029711.db2.gz AKTCEWIVKPVKOP-UHFFFAOYSA-N 0 0 384.766 4.164 20 5 GIBDRN Cc1c(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000181967010 822048184 /nfs/dbraw/zinc/04/81/84/822048184.db2.gz IGYMXDXKMNWBCL-UHFFFAOYSA-N 0 0 388.431 4.102 20 5 GIBDRN O=C(CC1CCC(C(F)(F)F)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000182027573 822067072 /nfs/dbraw/zinc/06/70/72/822067072.db2.gz IETUNPHESBSNGJ-UHFFFAOYSA-N 0 0 399.413 4.002 20 5 GIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1cccc(F)c1 ZINC000182167913 822128397 /nfs/dbraw/zinc/12/83/97/822128397.db2.gz HAMBVTZTCWKNCM-UHFFFAOYSA-N 0 0 398.394 4.133 20 5 GIBDRN COc1ccc2ccccc2c1-c1cc(COc2cccnc2[N+](=O)[O-])on1 ZINC000182228289 822157085 /nfs/dbraw/zinc/15/70/85/822157085.db2.gz SPBBYRDMXIIMBD-UHFFFAOYSA-N 0 0 377.356 4.386 20 5 GIBDRN COc1cc(OC)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000182262348 822175054 /nfs/dbraw/zinc/17/50/54/822175054.db2.gz BBKDHTFUIJTRNZ-SECBINFHSA-N 0 0 382.775 4.147 20 5 GIBDRN COc1cc(OC)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000182262327 822175386 /nfs/dbraw/zinc/17/53/86/822175386.db2.gz BBKDHTFUIJTRNZ-VIFPVBQESA-N 0 0 382.775 4.147 20 5 GIBDRN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182279860 822184441 /nfs/dbraw/zinc/18/44/41/822184441.db2.gz BUWCCKYSRUVPAE-LLVKDONJSA-N 0 0 395.228 4.259 20 5 GIBDRN Cn1nc(C2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000182345385 822209371 /nfs/dbraw/zinc/20/93/71/822209371.db2.gz ZMJKKVDFYMYRDX-UHFFFAOYSA-N 0 0 393.241 4.001 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000182358427 822213965 /nfs/dbraw/zinc/21/39/65/822213965.db2.gz PBWUNEVKLBIOFD-LLVKDONJSA-N 0 0 398.385 4.329 20 5 GIBDRN C[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1F ZINC000182383026 822223144 /nfs/dbraw/zinc/22/31/44/822223144.db2.gz LTZIKKLDQCXVRF-QLJPJBMISA-N 0 0 378.400 4.330 20 5 GIBDRN C[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182390423 822226144 /nfs/dbraw/zinc/22/61/44/822226144.db2.gz FLUJKPNXZVSWOD-HWPZZCPQSA-N 0 0 378.400 4.330 20 5 GIBDRN C[C@H](C(=O)N(Cc1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000182480736 822258934 /nfs/dbraw/zinc/25/89/34/822258934.db2.gz WVBKCBLLVHZYNK-HNNXBMFYSA-N 0 0 379.391 4.466 20 5 GIBDRN CSc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000182494563 822266071 /nfs/dbraw/zinc/26/60/71/822266071.db2.gz DBAKCMIAMHSXAY-WMLDXEAASA-N 0 0 392.864 4.230 20 5 GIBDRN Cc1cccc(CN(CCOc2ccccc2[N+](=O)[O-])Cc2cccc(C)n2)n1 ZINC000177999327 822276793 /nfs/dbraw/zinc/27/67/93/822276793.db2.gz URZMNXKSODKNNJ-UHFFFAOYSA-N 0 0 392.459 4.083 20 5 GIBDRN CCC[C@@H](Nc1ccc(CS(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000453407322 822358678 /nfs/dbraw/zinc/35/86/78/822358678.db2.gz UUMFHVZKBKOJTP-LJQANCHMSA-N 0 0 376.478 4.483 20 5 GIBDRN O=C(c1cc(N(Cc2ccco2)Cc2ccco2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000178269443 822361290 /nfs/dbraw/zinc/36/12/90/822361290.db2.gz RROMUJODHAXDJU-UHFFFAOYSA-N 0 0 395.415 4.224 20 5 GIBDRN COc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1[N+](=O)[O-] ZINC000045198105 822369982 /nfs/dbraw/zinc/36/99/82/822369982.db2.gz FNNHTJFCXWYIPP-UHFFFAOYSA-N 0 0 394.349 4.427 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccc(F)c1)C1CC1 ZINC000045198589 822370169 /nfs/dbraw/zinc/37/01/69/822370169.db2.gz IMSWOBOFDLZNOE-UHFFFAOYSA-N 0 0 397.450 4.142 20 5 GIBDRN CC(C)Cn1c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1[C@]1(C)CCCO1 ZINC000453485305 822376878 /nfs/dbraw/zinc/37/68/78/822376878.db2.gz XRQYJJFGGJWDTF-NRFANRHFSA-N 0 0 399.495 4.037 20 5 GIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178444062 822379529 /nfs/dbraw/zinc/37/95/29/822379529.db2.gz HVLMEHWBFDLKSX-UHFFFAOYSA-N 0 0 387.848 4.344 20 5 GIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000178449916 822380129 /nfs/dbraw/zinc/38/01/29/822380129.db2.gz ATFZKGTXGVHAMJ-UHFFFAOYSA-N 0 0 387.804 4.328 20 5 GIBDRN CC(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000453515137 822381634 /nfs/dbraw/zinc/38/16/34/822381634.db2.gz LFIFXIIMYAJTNM-KXBFYZLASA-N 0 0 399.495 4.251 20 5 GIBDRN CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(F)c1 ZINC000045515513 822392463 /nfs/dbraw/zinc/39/24/63/822392463.db2.gz OCHCQRLUQYNHJB-UHFFFAOYSA-N 0 0 396.422 4.262 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000182920266 822393004 /nfs/dbraw/zinc/39/30/04/822393004.db2.gz WPEIYUWFWACWRZ-MRXNPFEDSA-N 0 0 387.440 4.093 20 5 GIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000178610741 822396165 /nfs/dbraw/zinc/39/61/65/822396165.db2.gz KVCUYKZARPTFHG-QFIPXVFZSA-N 0 0 384.435 4.307 20 5 GIBDRN CC(C)c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nn1-c1ccccc1 ZINC000178655377 822400070 /nfs/dbraw/zinc/40/00/70/822400070.db2.gz YNYASMJURBIATK-UHFFFAOYSA-N 0 0 376.416 4.107 20 5 GIBDRN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2c(n1)onc2C(C)C ZINC000178676863 822401966 /nfs/dbraw/zinc/40/19/66/822401966.db2.gz QSVIBLWPEGXGNK-UHFFFAOYSA-N 0 0 394.431 4.368 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(Br)ccc1F ZINC000178729835 822405921 /nfs/dbraw/zinc/40/59/21/822405921.db2.gz GYPXSUAEQZWFFN-JTQLQIEISA-N 0 0 383.217 4.356 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000045717022 822407504 /nfs/dbraw/zinc/40/75/04/822407504.db2.gz PDSASRDIRMGEGO-QRWLVFNGSA-N 0 0 393.468 4.376 20 5 GIBDRN C[C@@H](C(=O)NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183021382 822412576 /nfs/dbraw/zinc/41/25/76/822412576.db2.gz CWOZLKMTDTYEIT-SECBINFHSA-N 0 0 399.191 4.055 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000045784453 822413248 /nfs/dbraw/zinc/41/32/48/822413248.db2.gz NRCZCXNJBYLDMN-AWEZNQCLSA-N 0 0 399.495 4.343 20 5 GIBDRN O=C(NCc1cc(-c2ccccc2)no1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000045831505 822417625 /nfs/dbraw/zinc/41/76/25/822417625.db2.gz PJMAVXUOJKKUCU-UHFFFAOYSA-N 0 0 379.397 4.395 20 5 GIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000045873667 822420565 /nfs/dbraw/zinc/42/05/65/822420565.db2.gz IEVXIWKGGHPASM-UHFFFAOYSA-N 0 0 390.443 4.072 20 5 GIBDRN COCCOc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000183096200 822423979 /nfs/dbraw/zinc/42/39/79/822423979.db2.gz SPOUVGNERSIQTM-NSHDSACASA-N 0 0 396.802 4.155 20 5 GIBDRN Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000179010213 822429703 /nfs/dbraw/zinc/42/97/03/822429703.db2.gz VMZIDDGASODRMN-UHFFFAOYSA-N 0 0 388.367 4.056 20 5 GIBDRN CCOc1cccc(N2CCC(C(=O)c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000183140991 822430106 /nfs/dbraw/zinc/43/01/06/822430106.db2.gz LZXBZSBPBRWQCL-UHFFFAOYSA-N 0 0 384.432 4.101 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000454131873 822432168 /nfs/dbraw/zinc/43/21/68/822432168.db2.gz FDEHTSBWRDAUES-OAHLLOKOSA-N 0 0 391.225 4.121 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000179036862 822432298 /nfs/dbraw/zinc/43/22/98/822432298.db2.gz ADUAFGLFBKLTHC-ZDUSSCGKSA-N 0 0 397.522 4.173 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000045996968 822432419 /nfs/dbraw/zinc/43/24/19/822432419.db2.gz CIHAEIJZPHYHIT-UHFFFAOYSA-N 0 0 390.461 4.263 20 5 GIBDRN COc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454159673 822434016 /nfs/dbraw/zinc/43/40/16/822434016.db2.gz KFAACGQGXXJYJG-RDJZCZTQSA-N 0 0 383.448 4.254 20 5 GIBDRN C[C@@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179071854 822435229 /nfs/dbraw/zinc/43/52/29/822435229.db2.gz WZUBKBWCDDQVLE-LLVKDONJSA-N 0 0 383.326 4.106 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000454201843 822438263 /nfs/dbraw/zinc/43/82/63/822438263.db2.gz XYRWSFHZWIXSMM-MEDUHNTESA-N 0 0 375.425 4.331 20 5 GIBDRN Cc1ccc([C@@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1[N+](=O)[O-] ZINC000183190721 822438587 /nfs/dbraw/zinc/43/85/87/822438587.db2.gz NMFSGTBVLUHEAF-CVEARBPZSA-N 0 0 393.447 4.473 20 5 GIBDRN Cc1ccc([C@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1[N+](=O)[O-] ZINC000183190734 822438732 /nfs/dbraw/zinc/43/87/32/822438732.db2.gz NMFSGTBVLUHEAF-HOTGVXAUSA-N 0 0 393.447 4.473 20 5 GIBDRN O=C(CCOc1ccccc1-c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000046147506 822444172 /nfs/dbraw/zinc/44/41/72/822444172.db2.gz CGKLYDUZGDGJMP-UHFFFAOYSA-N 0 0 376.412 4.347 20 5 GIBDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147476 822444232 /nfs/dbraw/zinc/44/42/32/822444232.db2.gz DFPOLUOVRHHWAH-UHFFFAOYSA-N 0 0 385.420 4.020 20 5 GIBDRN COc1ccc(NC(=O)CNc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000046169892 822446578 /nfs/dbraw/zinc/44/65/78/822446578.db2.gz NWOAOJUJVNLNGY-UHFFFAOYSA-N 0 0 377.400 4.321 20 5 GIBDRN COc1ccc(CSCC(=O)N(C)[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000046209551 822450252 /nfs/dbraw/zinc/45/02/52/822450252.db2.gz CFPIGSANKFYJJG-ZDUSSCGKSA-N 0 0 392.452 4.195 20 5 GIBDRN COc1ccc(CSCC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000046211941 822450708 /nfs/dbraw/zinc/45/07/08/822450708.db2.gz KAKWUXVEPZNCBR-HNNXBMFYSA-N 0 0 388.489 4.365 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000179215732 822452693 /nfs/dbraw/zinc/45/26/93/822452693.db2.gz SWPWHKHRRZQOBS-PBHICJAKSA-N 0 0 378.494 4.128 20 5 GIBDRN COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183292006 822454274 /nfs/dbraw/zinc/45/42/74/822454274.db2.gz ZROGTJJVNRFVKI-NSHDSACASA-N 0 0 396.802 4.155 20 5 GIBDRN COc1ccc(C)cc1C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179233639 822454984 /nfs/dbraw/zinc/45/49/84/822454984.db2.gz FTRWFLUKQIDFPE-MHZLTWQESA-N 0 0 386.429 4.016 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000046361797 822465993 /nfs/dbraw/zinc/46/59/93/822465993.db2.gz XGQUJKSSJZZBTB-UHFFFAOYSA-N 0 0 388.221 4.111 20 5 GIBDRN C[C@@H](C(=O)Nc1nc2cc(Cl)ccc2n1C)c1ccc([N+](=O)[O-])cc1F ZINC000183398527 822468262 /nfs/dbraw/zinc/46/82/62/822468262.db2.gz KZAUMQSQKNGVRN-SECBINFHSA-N 0 0 376.775 4.016 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000454441910 822476556 /nfs/dbraw/zinc/47/65/56/822476556.db2.gz UMTIGRFBPVBMLU-IFXJQAMLSA-N 0 0 385.420 4.035 20 5 GIBDRN Cc1cccc(C2=CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000179398557 822477072 /nfs/dbraw/zinc/47/70/72/822477072.db2.gz NPVRQKIISQOMTP-UHFFFAOYSA-N 0 0 376.416 4.243 20 5 GIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046507161 822479053 /nfs/dbraw/zinc/47/90/53/822479053.db2.gz AIZDKZBCJOPTAE-HNNXBMFYSA-N 0 0 376.796 4.058 20 5 GIBDRN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183476928 822481624 /nfs/dbraw/zinc/48/16/24/822481624.db2.gz PSNZYFGIRAGRLF-GDBMZVCRSA-N 0 0 392.521 4.253 20 5 GIBDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454506669 822486898 /nfs/dbraw/zinc/48/68/98/822486898.db2.gz ARCQEPUSLRYNCZ-DTWKUNHWSA-N 0 0 397.300 4.391 20 5 GIBDRN O=C(NCC1CCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183512007 822488052 /nfs/dbraw/zinc/48/80/52/822488052.db2.gz NEBDDKRTCZGVRF-UHFFFAOYSA-N 0 0 378.494 4.034 20 5 GIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000046604848 822490968 /nfs/dbraw/zinc/49/09/68/822490968.db2.gz WAEGPNBAJHAYNN-UHFFFAOYSA-N 0 0 375.812 4.029 20 5 GIBDRN COc1ccc(Br)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000183534232 822491215 /nfs/dbraw/zinc/49/12/15/822491215.db2.gz LBTMWJBXROXEQJ-SECBINFHSA-N 0 0 397.200 4.247 20 5 GIBDRN CCCOc1ccccc1Oc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046614244 822492771 /nfs/dbraw/zinc/49/27/71/822492771.db2.gz QBCZATYIVAFTHC-UHFFFAOYSA-N 0 0 397.387 4.094 20 5 GIBDRN COCCOCc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000046618935 822493808 /nfs/dbraw/zinc/49/38/08/822493808.db2.gz QYSCDTMYIHLGEK-UHFFFAOYSA-N 0 0 386.429 4.225 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000183572194 822496478 /nfs/dbraw/zinc/49/64/78/822496478.db2.gz WXYKVKOBCSVATG-UHFFFAOYSA-N 0 0 376.363 4.245 20 5 GIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000046638762 822496573 /nfs/dbraw/zinc/49/65/73/822496573.db2.gz UTNKAYYLZARTAR-UHFFFAOYSA-N 0 0 384.432 4.121 20 5 GIBDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183601410 822499948 /nfs/dbraw/zinc/49/99/48/822499948.db2.gz HMOWRABZNRDDIR-OXJNMPFZSA-N 0 0 382.464 4.105 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000183626889 822503015 /nfs/dbraw/zinc/50/30/15/822503015.db2.gz KLTPLBJHDNXZQK-UHFFFAOYSA-N 0 0 383.433 4.011 20 5 GIBDRN CC(C)Oc1cccc(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000179566420 822504734 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GIBDRN O=C(NCCC[C@H]1CCOC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000456730234 822827465 /nfs/dbraw/zinc/82/74/65/822827465.db2.gz BEVFDKSRHAPGBF-HNNXBMFYSA-N 0 0 386.473 4.293 20 5 GIBDRN CCOc1cc(NC(=O)N2CCC3(CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000174721060 822828294 /nfs/dbraw/zinc/82/82/94/822828294.db2.gz KBFIHXNYPAVVNZ-UHFFFAOYSA-N 0 0 377.441 4.190 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(C2CC2)o1 ZINC000456758263 822829518 /nfs/dbraw/zinc/82/95/18/822829518.db2.gz HDVZKPBBZIVMDT-UHFFFAOYSA-N 0 0 375.450 4.138 20 5 GIBDRN Cn1cc(C(=O)N2CCC(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053297706 822829536 /nfs/dbraw/zinc/82/95/36/822829536.db2.gz PNCYHWLRSUCBAX-UHFFFAOYSA-N 0 0 390.443 4.015 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000174748233 822831928 /nfs/dbraw/zinc/83/19/28/822831928.db2.gz JYVUJDKXADZGKQ-UHFFFAOYSA-N 0 0 387.436 4.409 20 5 GIBDRN C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000185945102 822836045 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5 GIBDRN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000053599575 822842225 /nfs/dbraw/zinc/84/22/25/822842225.db2.gz JFWRCFPPMBUFPN-LJQANCHMSA-N 0 0 377.379 4.217 20 5 GIBDRN CSc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000186019606 822844329 /nfs/dbraw/zinc/84/43/29/822844329.db2.gz PUJAKYDDODSAEP-UHFFFAOYSA-N 0 0 382.441 4.279 20 5 GIBDRN C[C@]12CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456980694 822844552 /nfs/dbraw/zinc/84/45/52/822844552.db2.gz LGIHVGIHXRHGFL-WVWCEFAQSA-N 0 0 386.495 4.049 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000186028111 822845084 /nfs/dbraw/zinc/84/50/84/822845084.db2.gz KKQWJFYANOYWOL-UHFFFAOYSA-N 0 0 386.408 4.202 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000457012496 822846185 /nfs/dbraw/zinc/84/61/85/822846185.db2.gz STEOIZJXRZJYMM-SDDRHHMPSA-N 0 0 386.395 4.149 20 5 GIBDRN O=C(C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1)C(F)(F)F ZINC000186039457 822846339 /nfs/dbraw/zinc/84/63/39/822846339.db2.gz NGPLVNUZRVJOEB-UHFFFAOYSA-N 0 0 389.373 4.290 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000053761232 822847306 /nfs/dbraw/zinc/84/73/06/822847306.db2.gz SLNWUKVLOUMKPM-CABCVRRESA-N 0 0 391.431 4.049 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCSC[C@H]1c1nccs1 ZINC000186055720 822847680 /nfs/dbraw/zinc/84/76/80/822847680.db2.gz PLFMJIAVCYQRBH-LBPRGKRZSA-N 0 0 384.870 4.027 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000186074841 822849480 /nfs/dbraw/zinc/84/94/80/822849480.db2.gz YHONUSNNPUUWLV-UHFFFAOYSA-N 0 0 382.445 4.122 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[N+](=O)[O-] ZINC000186081562 822849985 /nfs/dbraw/zinc/84/99/85/822849985.db2.gz BGHMWIUVZZGTCU-LBPRGKRZSA-N 0 0 399.472 4.156 20 5 GIBDRN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000053866834 822851183 /nfs/dbraw/zinc/85/11/83/822851183.db2.gz HLKGWSUXDYBHMG-UHFFFAOYSA-N 0 0 390.399 4.169 20 5 GIBDRN COc1cccc(C(NCc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000174929160 822857365 /nfs/dbraw/zinc/85/73/65/822857365.db2.gz CURWVOLFQAAGPZ-UHFFFAOYSA-N 0 0 378.428 4.491 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1[N+](=O)[O-] ZINC000186169502 822857578 /nfs/dbraw/zinc/85/75/78/822857578.db2.gz IYWXVTTYZBQENN-UHFFFAOYSA-N 0 0 387.461 4.097 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c1[N+](=O)[O-] ZINC000186172731 822857941 /nfs/dbraw/zinc/85/79/41/822857941.db2.gz GBOCJMSVCMCGLR-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000457159604 822858152 /nfs/dbraw/zinc/85/81/52/822858152.db2.gz GZEAVNDSISWMLJ-SFHVURJKSA-N 0 0 392.521 4.374 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000054011155 822858470 /nfs/dbraw/zinc/85/84/70/822858470.db2.gz WGIGYCHKFAJPGK-UHFFFAOYSA-N 0 0 394.431 4.224 20 5 GIBDRN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054031244 822859659 /nfs/dbraw/zinc/85/96/59/822859659.db2.gz RXPVJQKHPWWIFZ-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000457193234 822859843 /nfs/dbraw/zinc/85/98/43/822859843.db2.gz GLTSKJQFVDUSEV-XJKCOSOUSA-N 0 0 392.502 4.173 20 5 GIBDRN CSc1cccc(C(=O)NCCOc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000186196744 822859882 /nfs/dbraw/zinc/85/98/82/822859882.db2.gz YJKPGOVMKFHFTC-UHFFFAOYSA-N 0 0 382.441 4.279 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000186221591 822862011 /nfs/dbraw/zinc/86/20/11/822862011.db2.gz OHVUQGQGPNEWIJ-GOSISDBHSA-N 0 0 397.818 4.010 20 5 GIBDRN O=C(N[C@H](C1CC1)C1CCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000457244289 822862180 /nfs/dbraw/zinc/86/21/80/822862180.db2.gz MWNBOKCQELZBBE-SFHVURJKSA-N 0 0 382.410 4.268 20 5 GIBDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(COCC(F)(F)F)cc1 ZINC000174971360 822862915 /nfs/dbraw/zinc/86/29/15/822862915.db2.gz RUMWDLSSLMNHJT-UHFFFAOYSA-N 0 0 384.354 4.432 20 5 GIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2ccccc2C2(CC2)C1 ZINC000186240474 822863948 /nfs/dbraw/zinc/86/39/48/822863948.db2.gz YQWZUJLAXISIKC-CQSZACIVSA-N 0 0 376.416 4.253 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000186262881 822866654 /nfs/dbraw/zinc/86/66/54/822866654.db2.gz VUUMVZATZVJSCO-UHFFFAOYSA-N 0 0 396.472 4.321 20 5 GIBDRN CC[C@H]1c2ccsc2CCN1C(=O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000569000446 822868788 /nfs/dbraw/zinc/86/87/88/822868788.db2.gz ISRHXNMZDLLTGS-KRWDZBQOSA-N 0 0 396.472 4.056 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N2CC(C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000457344990 822869005 /nfs/dbraw/zinc/86/90/05/822869005.db2.gz QXCPIJZAUZIEQM-CQSZACIVSA-N 0 0 382.464 4.281 20 5 GIBDRN CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000457439730 822875362 /nfs/dbraw/zinc/87/53/62/822875362.db2.gz RNUIXZIXWIRUNK-UGSOOPFHSA-N 0 0 381.436 4.229 20 5 GIBDRN Cc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000186317583 822875419 /nfs/dbraw/zinc/87/54/19/822875419.db2.gz CDJNDHDYCBNGGM-UHFFFAOYSA-N 0 0 383.629 4.249 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186319142 822875700 /nfs/dbraw/zinc/87/57/00/822875700.db2.gz MNQUBKZRDJACCR-MRXNPFEDSA-N 0 0 399.205 4.254 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186319121 822875793 /nfs/dbraw/zinc/87/57/93/822875793.db2.gz MNQUBKZRDJACCR-INIZCTEOSA-N 0 0 399.205 4.254 20 5 GIBDRN Cc1nc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)sc1C(F)(F)F ZINC000569070164 822876579 /nfs/dbraw/zinc/87/65/79/822876579.db2.gz SNMNEGHTYAKKKC-UHFFFAOYSA-N 0 0 397.281 4.232 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1[N+](=O)[O-] ZINC000186347006 822879488 /nfs/dbraw/zinc/87/94/88/822879488.db2.gz DLAAWQWLFIHTEM-UHFFFAOYSA-N 0 0 397.412 4.414 20 5 GIBDRN C[C@@H](C1CC1)n1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000186363151 822882262 /nfs/dbraw/zinc/88/22/62/822882262.db2.gz JJFVTAWVFIBACG-JTQLQIEISA-N 0 0 380.857 4.147 20 5 GIBDRN COc1ccc(CNc2nnc(SCc3csc([N+](=O)[O-])c3)s2)cc1 ZINC000054452010 822887286 /nfs/dbraw/zinc/88/72/86/822887286.db2.gz MHLBHCKLBFKJKP-UHFFFAOYSA-N 0 0 394.503 4.421 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1c(F)cc(F)cc1F ZINC000054475636 822888939 /nfs/dbraw/zinc/88/89/39/822888939.db2.gz GJJLOOUSAKHSSQ-MRVPVSSYSA-N 0 0 386.351 4.140 20 5 GIBDRN Cc1ccccc1[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000175157008 822893868 /nfs/dbraw/zinc/89/38/68/822893868.db2.gz YJJZALMNWQGEIE-FQEVSTJZSA-N 0 0 393.443 4.262 20 5 GIBDRN COc1cc(C(=O)Nc2ccc3c(Cl)cccc3n2)c([N+](=O)[O-])cc1OC ZINC000569254021 822896989 /nfs/dbraw/zinc/89/69/89/822896989.db2.gz ZJYUPDSUHYWEDC-UHFFFAOYSA-N 0 0 387.779 4.066 20 5 GIBDRN O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)cc1 ZINC000054592815 822897932 /nfs/dbraw/zinc/89/79/32/822897932.db2.gz OTYUVKDNDJRCJZ-UHFFFAOYSA-N 0 0 396.230 4.050 20 5 GIBDRN CSc1cccc(C(=O)NCCc2nc(C(C)(C)C)cs2)c1[N+](=O)[O-] ZINC000186460932 822898925 /nfs/dbraw/zinc/89/89/25/822898925.db2.gz GHHMNJKODKRCLR-UHFFFAOYSA-N 0 0 379.507 4.043 20 5 GIBDRN COc1ccc2cc(CN(C)C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000054644426 822901183 /nfs/dbraw/zinc/90/11/83/822901183.db2.gz VTMCVHSSSPDEMN-UHFFFAOYSA-N 0 0 393.443 4.141 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000186475552 822901344 /nfs/dbraw/zinc/90/13/44/822901344.db2.gz KIBKULHDAUBYPL-UHFFFAOYSA-N 0 0 387.461 4.016 20 5 GIBDRN COc1ccc([C@H](C)CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000175192055 822901331 /nfs/dbraw/zinc/90/13/31/822901331.db2.gz JHJBQPCXMAWLFS-CYBMUJFWSA-N 0 0 376.840 4.409 20 5 GIBDRN Cc1sc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000054666321 822902549 /nfs/dbraw/zinc/90/25/49/822902549.db2.gz QQOBCFKSCAUJON-HNNXBMFYSA-N 0 0 384.461 4.219 20 5 GIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000054665987 822902568 /nfs/dbraw/zinc/90/25/68/822902568.db2.gz FYYWSIKETIGFMW-LJQANCHMSA-N 0 0 378.432 4.157 20 5 GIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000569297637 822903624 /nfs/dbraw/zinc/90/36/24/822903624.db2.gz WRSZAILHHUGWQB-HNNXBMFYSA-N 0 0 395.459 4.230 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1[N+](=O)[O-] ZINC000186513053 822906982 /nfs/dbraw/zinc/90/69/82/822906982.db2.gz WCHQQBAAYJNFIM-UHFFFAOYSA-N 0 0 380.429 4.334 20 5 GIBDRN C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000569330571 822908593 /nfs/dbraw/zinc/90/85/93/822908593.db2.gz OWYABTLAMPPTCE-SJKOYZFVSA-N 0 0 375.375 4.037 20 5 GIBDRN CCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000569423588 822921042 /nfs/dbraw/zinc/92/10/42/822921042.db2.gz WGUMOGPAFRKXMW-IAGOWNOFSA-N 0 0 397.475 4.273 20 5 GIBDRN CSc1cccc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000186611834 822923621 /nfs/dbraw/zinc/92/36/21/822923621.db2.gz SYQFKOWBXMHYGM-LLVKDONJSA-N 0 0 380.853 4.167 20 5 GIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175289565 822925611 /nfs/dbraw/zinc/92/56/11/822925611.db2.gz OKSBBTXEMPVKQW-KBPBESRZSA-N 0 0 387.299 4.151 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1[N+](=O)[O-] ZINC000186627623 822925824 /nfs/dbraw/zinc/92/58/24/822925824.db2.gz VORNFNWXNYRUKG-NSHDSACASA-N 0 0 390.465 4.238 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)o1 ZINC000186633620 822926761 /nfs/dbraw/zinc/92/67/61/822926761.db2.gz YUOOOAYCDWDWFC-UHFFFAOYSA-N 0 0 384.417 4.181 20 5 GIBDRN CNc1ccc(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000569522994 822934222 /nfs/dbraw/zinc/93/42/22/822934222.db2.gz IGFGRKKGOAGGRR-GOSISDBHSA-N 0 0 382.464 4.207 20 5 GIBDRN CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152863 822941473 /nfs/dbraw/zinc/94/14/73/822941473.db2.gz MTEADNHUQWLQCU-JTQLQIEISA-N 0 0 381.791 4.225 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152626 822941484 /nfs/dbraw/zinc/94/14/84/822941484.db2.gz QJQJEQSYGAMALM-WDEREUQCSA-N 0 0 395.818 4.074 20 5 GIBDRN CCOc1cc(C)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055154042 822941760 /nfs/dbraw/zinc/94/17/60/822941760.db2.gz BRIJREYWUGQYQZ-LBPRGKRZSA-N 0 0 377.828 4.394 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000186730235 822946231 /nfs/dbraw/zinc/94/62/31/822946231.db2.gz DEWLTVHZUVPVBO-UHFFFAOYSA-N 0 0 393.365 4.044 20 5 GIBDRN CCOc1ccc(Oc2ccc(NC(=O)c3n[nH]c(CC)c3[N+](=O)[O-])cc2)cc1 ZINC000569626832 822946854 /nfs/dbraw/zinc/94/68/54/822946854.db2.gz AUPUDEBTKLPOJV-UHFFFAOYSA-N 0 0 396.403 4.324 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000458001403 822949390 /nfs/dbraw/zinc/94/93/90/822949390.db2.gz MQKUWIWCSROCOL-RTBURBONSA-N 0 0 394.427 4.028 20 5 GIBDRN CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000458001178 822949407 /nfs/dbraw/zinc/94/94/07/822949407.db2.gz ZGMIXWURVJEJKZ-ZSZQSSIHSA-N 0 0 382.464 4.327 20 5 GIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC000569650559 822950169 /nfs/dbraw/zinc/95/01/69/822950169.db2.gz POJVEVIBJXTDAK-QGZVFWFLSA-N 0 0 383.839 4.385 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000175374443 822950638 /nfs/dbraw/zinc/95/06/38/822950638.db2.gz DSUCLAMOJFVNEX-LLVKDONJSA-N 0 0 376.400 4.266 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c1[N+](=O)[O-] ZINC000186766044 822951714 /nfs/dbraw/zinc/95/17/14/822951714.db2.gz LOHMPHZVABLHRG-UHFFFAOYSA-N 0 0 397.460 4.408 20 5 GIBDRN COc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000175384098 822953625 /nfs/dbraw/zinc/95/36/25/822953625.db2.gz HQQDBCKKXJWLGL-UHFFFAOYSA-N 0 0 397.431 4.375 20 5 GIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000175392078 822956837 /nfs/dbraw/zinc/95/68/37/822956837.db2.gz LKTIKYWIAOMFPG-CMPLNLGQSA-N 0 0 387.299 4.104 20 5 GIBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458087686 822956888 /nfs/dbraw/zinc/95/68/88/822956888.db2.gz MAAPFVWEUJYLII-NHCUHLMSSA-N 0 0 390.443 4.189 20 5 GIBDRN CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000458088626 822957108 /nfs/dbraw/zinc/95/71/08/822957108.db2.gz DBJTYXVMCUTXDQ-ZKYUUJBMSA-N 0 0 382.464 4.327 20 5 GIBDRN CCCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000055398712 822957561 /nfs/dbraw/zinc/95/75/61/822957561.db2.gz NXRGUSXPJQFNOU-LBPRGKRZSA-N 0 0 376.384 4.022 20 5 GIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000055410871 822958704 /nfs/dbraw/zinc/95/87/04/822958704.db2.gz DFMQVHMYRABTHA-UHFFFAOYSA-N 0 0 391.811 4.004 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000175415444 822963497 /nfs/dbraw/zinc/96/34/97/822963497.db2.gz UIJMCGQSKYBLPN-LXZKKBNFSA-N 0 0 389.477 4.015 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175420166 822964665 /nfs/dbraw/zinc/96/46/65/822964665.db2.gz WYNLMWZYKMITAJ-RXAIFQJESA-N 0 0 390.505 4.312 20 5 GIBDRN Cc1occc1CN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000055461522 822966239 /nfs/dbraw/zinc/96/62/39/822966239.db2.gz VOJQUXCIJNTNAY-UHFFFAOYSA-N 0 0 379.416 4.381 20 5 GIBDRN CCC1(c2ccccc2)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000458226203 822971170 /nfs/dbraw/zinc/97/11/70/822971170.db2.gz JYJVRZDTYRPLAL-UHFFFAOYSA-N 0 0 393.487 4.001 20 5 GIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000055515237 822973047 /nfs/dbraw/zinc/97/30/47/822973047.db2.gz HOHSPVVHHQITSH-VQIMIIECSA-N 0 0 394.475 4.203 20 5 GIBDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458249443 822973763 /nfs/dbraw/zinc/97/37/63/822973763.db2.gz PWTKVSHVLYMVIY-NSHDSACASA-N 0 0 382.338 4.039 20 5 GIBDRN CC(C)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Cl)c1F ZINC000186891881 822975618 /nfs/dbraw/zinc/97/56/18/822975618.db2.gz MQBZBFVEUJYRNN-UHFFFAOYSA-N 0 0 390.802 4.462 20 5 GIBDRN CCOc1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000175466218 822975986 /nfs/dbraw/zinc/97/59/86/822975986.db2.gz OPOKRLWVJYTLIL-CJNGLKHVSA-N 0 0 388.420 4.209 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Cl)ccc1OC(C)C ZINC000569866256 822978320 /nfs/dbraw/zinc/97/83/20/822978320.db2.gz HKFLLNPHHCNAGM-UHFFFAOYSA-N 0 0 377.828 4.394 20 5 GIBDRN CCCCn1c(SCc2ccc(F)cc2[N+](=O)[O-])nnc1[C@H](CC)N(C)C ZINC000569867536 822978367 /nfs/dbraw/zinc/97/83/67/822978367.db2.gz JUQDMPMCXVHGNJ-HNNXBMFYSA-N 0 0 395.504 4.431 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2Br)cc1[N+](=O)[O-] ZINC000569873896 822978995 /nfs/dbraw/zinc/97/89/95/822978995.db2.gz AHXJEZYIOSXEPP-SNVBAGLBSA-N 0 0 381.201 4.296 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@]2(C)CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000458303227 822980867 /nfs/dbraw/zinc/98/08/67/822980867.db2.gz CNIJUQLDAIOBKQ-VFNWGFHPSA-N 0 0 380.448 4.392 20 5 GIBDRN Cc1cc(F)ccc1Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000569913186 822984898 /nfs/dbraw/zinc/98/48/98/822984898.db2.gz AIBQCSUVMZFRHE-UHFFFAOYSA-N 0 0 391.786 4.291 20 5 GIBDRN COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000175505174 822985365 /nfs/dbraw/zinc/98/53/65/822985365.db2.gz DNYAPHOXKNUXAZ-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])cc21 ZINC000186952637 822985901 /nfs/dbraw/zinc/98/59/01/822985901.db2.gz CRIPQXCSFGGAKE-UHFFFAOYSA-N 0 0 385.445 4.170 20 5 GIBDRN CCCOc1cc(C)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055619185 822988201 /nfs/dbraw/zinc/98/82/01/822988201.db2.gz SPHXDHMPGQNWAE-UHFFFAOYSA-N 0 0 380.404 4.130 20 5 GIBDRN Cc1cccc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000055634621 822990452 /nfs/dbraw/zinc/99/04/52/822990452.db2.gz IAQJHEBIMPCCGU-LBPRGKRZSA-N 0 0 382.338 4.119 20 5 GIBDRN COc1ccc(-c2ccc(CN[C@@H]3c4ccccc4O[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000570076047 823003771 /nfs/dbraw/zinc/00/37/71/823003771.db2.gz SDWQSHPSERZPAC-ZSEKCTLFSA-N 0 0 380.400 4.475 20 5 GIBDRN O=C(c1cccc(Cn2ccnc2)c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000570076006 823003785 /nfs/dbraw/zinc/00/37/85/823003785.db2.gz RWNNEOCVYBLWBJ-UHFFFAOYSA-N 0 0 390.443 4.429 20 5 GIBDRN CCCOc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175602402 823004908 /nfs/dbraw/zinc/00/49/08/823004908.db2.gz RRIPUPYYEPKVTL-UHFFFAOYSA-N 0 0 379.210 4.398 20 5 GIBDRN COc1cc(C(=O)Nc2cccnc2-c2ccc(C)s2)c([N+](=O)[O-])cc1OC ZINC000187080383 823007915 /nfs/dbraw/zinc/00/79/15/823007915.db2.gz CZIUJCMPVYKEMU-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2csc(N3CCC[C@H](OCC(F)(F)F)C3)n2)cc1 ZINC000570129344 823008609 /nfs/dbraw/zinc/00/86/09/823008609.db2.gz PHWCEMYCYIJBJE-ZDUSSCGKSA-N 0 0 387.383 4.266 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc3c(cccc3Cl)n2C)c1[N+](=O)[O-] ZINC000187087973 823009019 /nfs/dbraw/zinc/00/90/19/823009019.db2.gz LQHFARLUHURATI-UHFFFAOYSA-N 0 0 376.825 4.109 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000175636290 823010721 /nfs/dbraw/zinc/01/07/21/823010721.db2.gz WVIASISIVATPHR-SNVBAGLBSA-N 0 0 376.796 4.223 20 5 GIBDRN Cc1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000187107386 823011549 /nfs/dbraw/zinc/01/15/49/823011549.db2.gz FDHYRRADPZCJIO-CQSZACIVSA-N 0 0 396.266 4.100 20 5 GIBDRN Cc1nc(COC(C)(C)C)oc1-c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000570167083 823011690 /nfs/dbraw/zinc/01/16/90/823011690.db2.gz TUHXOVHWSYCALM-UHFFFAOYSA-N 0 0 386.408 4.156 20 5 GIBDRN O=C(Nc1sc2c(c1C(=O)c1cccnc1)CCC2)c1ccc([N+](=O)[O-])s1 ZINC000187135712 823015892 /nfs/dbraw/zinc/01/58/92/823015892.db2.gz UISBEYCNKAGVNK-UHFFFAOYSA-N 0 0 399.453 4.085 20 5 GIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2cccnc2)cc1 ZINC000175671143 823016946 /nfs/dbraw/zinc/01/69/46/823016946.db2.gz DNHDDRNQALTUGE-CQSZACIVSA-N 0 0 395.390 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CCOc1ccc([C@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000570385136 823032122 /nfs/dbraw/zinc/03/21/22/823032122.db2.gz TXLQQOIWVJYMDT-CABCVRRESA-N 0 0 386.448 4.373 20 5 GIBDRN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC(F)(F)F)c1 ZINC000175755220 823032527 /nfs/dbraw/zinc/03/25/27/823032527.db2.gz UQEHLEPVRDIEPX-LLVKDONJSA-N 0 0 398.337 4.211 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000055742691 823035933 /nfs/dbraw/zinc/03/59/33/823035933.db2.gz ZOMHVZIJIQITLW-UHFFFAOYSA-N 0 0 387.461 4.233 20 5 GIBDRN COc1ccccc1N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000055743712 823036083 /nfs/dbraw/zinc/03/60/83/823036083.db2.gz LUOBYKBVZQWHTQ-UHFFFAOYSA-N 0 0 383.448 4.116 20 5 GIBDRN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187282775 823036410 /nfs/dbraw/zinc/03/64/10/823036410.db2.gz GDKVQTVFGXKHPE-ZDUSSCGKSA-N 0 0 396.896 4.201 20 5 GIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000055753046 823037093 /nfs/dbraw/zinc/03/70/93/823037093.db2.gz WCVUIEWMYUFFHI-UHFFFAOYSA-N 0 0 395.459 4.336 20 5 GIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055753186 823037270 /nfs/dbraw/zinc/03/72/70/823037270.db2.gz QUNOZNZXTKTYOU-UHFFFAOYSA-N 0 0 381.432 4.028 20 5 GIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055753426 823037425 /nfs/dbraw/zinc/03/74/25/823037425.db2.gz XYYOPCLOMSMCJY-UHFFFAOYSA-N 0 0 399.422 4.167 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000055753651 823037563 /nfs/dbraw/zinc/03/75/63/823037563.db2.gz NMDPUPWFVFOXQX-HNNXBMFYSA-N 0 0 381.432 4.170 20 5 GIBDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000187325582 823043942 /nfs/dbraw/zinc/04/39/42/823043942.db2.gz DWTDQSZPNAWMRP-UHFFFAOYSA-N 0 0 388.427 4.081 20 5 GIBDRN O=C(Nc1cccc(Oc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060553646 823541804 /nfs/dbraw/zinc/54/18/04/823541804.db2.gz NOGQULHOMKFXRW-UHFFFAOYSA-N 0 0 392.367 4.411 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(F)c(C)c32)cc1SC ZINC000411085861 823543478 /nfs/dbraw/zinc/54/34/78/823543478.db2.gz MRHHZWOVXGJTFH-UHFFFAOYSA-N 0 0 390.436 4.366 20 5 GIBDRN CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000190195966 823549448 /nfs/dbraw/zinc/54/94/48/823549448.db2.gz WLARXTKGERIQKY-CYBMUJFWSA-N 0 0 393.793 4.097 20 5 GIBDRN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000060659530 823550972 /nfs/dbraw/zinc/55/09/72/823550972.db2.gz VJMZLQZOXAMNNZ-UHFFFAOYSA-N 0 0 376.372 4.491 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000411151648 823552134 /nfs/dbraw/zinc/55/21/34/823552134.db2.gz CZHWOIUTQBAIIQ-GOSISDBHSA-N 0 0 383.448 4.054 20 5 GIBDRN Cc1c(Br)cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000460969479 823552816 /nfs/dbraw/zinc/55/28/16/823552816.db2.gz NEDSXJSFKAZHLO-HNNXBMFYSA-N 0 0 379.254 4.070 20 5 GIBDRN Cc1ccc(NC(=O)Cc2nc(COc3cccc(C)c3[N+](=O)[O-])cs2)cc1 ZINC000123947533 823554111 /nfs/dbraw/zinc/55/41/11/823554111.db2.gz FUEOTYNYAFGECQ-UHFFFAOYSA-N 0 0 397.456 4.428 20 5 GIBDRN Cc1nc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000411203238 823557039 /nfs/dbraw/zinc/55/70/39/823557039.db2.gz WYJCEHMPAHXHEY-JKSUJKDBSA-N 0 0 383.429 4.040 20 5 GIBDRN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000123978162 823557444 /nfs/dbraw/zinc/55/74/44/823557444.db2.gz NHIGQBWARHEQJH-UHFFFAOYSA-N 0 0 399.838 4.242 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(COc3ccc(F)cc3Br)n2)cc1 ZINC000060803882 823558705 /nfs/dbraw/zinc/55/87/05/823558705.db2.gz XIQIAFVNMACYAL-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000124002336 823559134 /nfs/dbraw/zinc/55/91/34/823559134.db2.gz KHAOBXHQSAHTFX-UHFFFAOYSA-N 0 0 399.447 4.223 20 5 GIBDRN O=c1c2cc(-c3ccccc3)sc2ncn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000060815270 823559328 /nfs/dbraw/zinc/55/93/28/823559328.db2.gz HRUXMOAKSVHOTM-UHFFFAOYSA-N 0 0 393.424 4.112 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000190288944 823559437 /nfs/dbraw/zinc/55/94/37/823559437.db2.gz LYUCFBGAFNCALT-JOCHJYFZSA-N 0 0 380.444 4.032 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2Cl)C(C)C)ccc1[N+](=O)[O-] ZINC000411244315 823560042 /nfs/dbraw/zinc/56/00/42/823560042.db2.gz YYWWRLCPEYKILT-QGZVFWFLSA-N 0 0 389.839 4.009 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000411246217 823560189 /nfs/dbraw/zinc/56/01/89/823560189.db2.gz MFHFLHBOKFXUJL-OTWHNJEPSA-N 0 0 396.443 4.079 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000190304841 823561071 /nfs/dbraw/zinc/56/10/71/823561071.db2.gz QJOMYUHONGOOBR-BPAFIMBUSA-N 0 0 383.448 4.041 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000124037826 823561963 /nfs/dbraw/zinc/56/19/63/823561963.db2.gz BIABUGKTNCOQEM-CYBMUJFWSA-N 0 0 384.461 4.363 20 5 GIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000124045635 823562764 /nfs/dbraw/zinc/56/27/64/823562764.db2.gz AZWPFSXKENENIO-INIZCTEOSA-N 0 0 395.459 4.181 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000411307314 823563808 /nfs/dbraw/zinc/56/38/08/823563808.db2.gz XMYIEPLCLNAWPT-LJQANCHMSA-N 0 0 399.422 4.029 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1F ZINC000411335152 823565004 /nfs/dbraw/zinc/56/50/04/823565004.db2.gz ZTHCGKMANWUMBK-LLVKDONJSA-N 0 0 380.803 4.158 20 5 GIBDRN CC(C)Oc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000411363254 823566531 /nfs/dbraw/zinc/56/65/31/823566531.db2.gz CZUWDMTZJVYMSI-UHFFFAOYSA-N 0 0 385.420 4.229 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3ccccc3N3CCC(O)CC3)o2)cc1 ZINC000124110080 823568367 /nfs/dbraw/zinc/56/83/67/823568367.db2.gz WCZCFHRZCIZWLA-UHFFFAOYSA-N 0 0 393.443 4.428 20 5 GIBDRN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000060974688 823570494 /nfs/dbraw/zinc/57/04/94/823570494.db2.gz MCIOOJHJFUABPY-UHFFFAOYSA-N 0 0 387.399 4.255 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000124133824 823570569 /nfs/dbraw/zinc/57/05/69/823570569.db2.gz FGRQBBCNJAWTLS-CTNGQTDRSA-N 0 0 382.460 4.032 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000124133398 823570573 /nfs/dbraw/zinc/57/05/73/823570573.db2.gz FGRQBBCNJAWTLS-FPOVZHCZSA-N 0 0 382.460 4.032 20 5 GIBDRN CCN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(C)=O ZINC000411405552 823570809 /nfs/dbraw/zinc/57/08/09/823570809.db2.gz ZMSFGYVSKLEVDI-UHFFFAOYSA-N 0 0 399.447 4.003 20 5 GIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411421251 823572313 /nfs/dbraw/zinc/57/23/13/823572313.db2.gz IKEJSKKVQQMHOI-UHFFFAOYSA-N 0 0 397.431 4.291 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccco1)C1CCCC1 ZINC000124176984 823574870 /nfs/dbraw/zinc/57/48/70/823574870.db2.gz WSIGHCGPWDRQDG-UHFFFAOYSA-N 0 0 383.448 4.373 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000190502832 823581726 /nfs/dbraw/zinc/58/17/26/823581726.db2.gz GRGGKUVGSZXFJF-KRWDZBQOSA-N 0 0 395.459 4.209 20 5 GIBDRN C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)C1 ZINC000461127319 823582877 /nfs/dbraw/zinc/58/28/77/823582877.db2.gz QPKHHFJSQMIABB-SUMDDJOVSA-N 0 0 399.495 4.047 20 5 GIBDRN COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000190527589 823583745 /nfs/dbraw/zinc/58/37/45/823583745.db2.gz RDDIBZPDNNKKPM-QLJPJBMISA-N 0 0 383.231 4.467 20 5 GIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190578100 823587916 /nfs/dbraw/zinc/58/79/16/823587916.db2.gz KLSFIMJEJOGJMP-HRAATJIYSA-N 0 0 385.464 4.029 20 5 GIBDRN Cc1c(CC(=O)Nc2cc(Br)c(F)cc2F)cccc1[N+](=O)[O-] ZINC000190588686 823588802 /nfs/dbraw/zinc/58/88/02/823588802.db2.gz IRIBFGCGRLBKBV-UHFFFAOYSA-N 0 0 385.164 4.125 20 5 GIBDRN Cc1cccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000061284571 823589139 /nfs/dbraw/zinc/58/91/39/823589139.db2.gz LUPUUOHIGSGKCG-UHFFFAOYSA-N 0 0 386.411 4.172 20 5 GIBDRN Cc1nn(CCC(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000461158086 823589656 /nfs/dbraw/zinc/58/96/56/823589656.db2.gz MBCVYXVXEJAIDF-IBGZPJMESA-N 0 0 398.507 4.013 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000411594138 823589758 /nfs/dbraw/zinc/58/97/58/823589758.db2.gz GORIJNWVHDVKRX-GBESFXJTSA-N 0 0 396.443 4.203 20 5 GIBDRN Cc1ccc(-c2ncco2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000124428187 823596046 /nfs/dbraw/zinc/59/60/46/823596046.db2.gz GNWIOBJOPDPTEW-UHFFFAOYSA-N 0 0 396.359 4.336 20 5 GIBDRN O=C(NCCCOC1CCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000061525157 823601347 /nfs/dbraw/zinc/60/13/47/823601347.db2.gz VMTYKTBMKVTVQR-UHFFFAOYSA-N 0 0 397.475 4.286 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000461247462 823603922 /nfs/dbraw/zinc/60/39/22/823603922.db2.gz YFQXBXAKOOIJKB-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc([N+](=O)[O-])c1C ZINC000190786370 823608936 /nfs/dbraw/zinc/60/89/36/823608936.db2.gz MVMSVCKELRCRTE-UHFFFAOYSA-N 0 0 379.372 4.351 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000411828674 823609472 /nfs/dbraw/zinc/60/94/72/823609472.db2.gz QPACMLRMHRZWHT-UYAOXDASSA-N 0 0 395.459 4.027 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000461271362 823609935 /nfs/dbraw/zinc/60/99/35/823609935.db2.gz PLFQNRMZVJZPCX-IFXJQAMLSA-N 0 0 388.851 4.467 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411833870 823610413 /nfs/dbraw/zinc/61/04/13/823610413.db2.gz LELAVRZVBKSASO-ICSRJNTNSA-N 0 0 395.459 4.027 20 5 GIBDRN COc1cc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000124685156 823617199 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AJUNQFUNGZRIRE-UHFFFAOYSA-N 0 0 380.347 4.098 20 5 GIBDRN Cc1nc2cc(Br)cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2o1 ZINC000187441631 823064650 /nfs/dbraw/zinc/06/46/50/823064650.db2.gz CILDCMUJYQBCRE-UHFFFAOYSA-N 0 0 390.193 4.368 20 5 GIBDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)cc2)n1 ZINC000187446065 823065204 /nfs/dbraw/zinc/06/52/04/823065204.db2.gz IAZDGKMGMXDLSK-UHFFFAOYSA-N 0 0 392.415 4.029 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000120797196 823066204 /nfs/dbraw/zinc/06/62/04/823066204.db2.gz OXSHIGMCUAAISK-MRXNPFEDSA-N 0 0 385.342 4.059 20 5 GIBDRN C[C@@H](NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000458628823 823066574 /nfs/dbraw/zinc/06/65/74/823066574.db2.gz XSGXDSZEGHYGDN-KUHUBIRLSA-N 0 0 393.447 4.469 20 5 GIBDRN CCOc1ccc(OC)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120808255 823068433 /nfs/dbraw/zinc/06/84/33/823068433.db2.gz IKJDETLRVHNGIN-UHFFFAOYSA-N 0 0 395.209 4.017 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000055941432 823068907 /nfs/dbraw/zinc/06/89/07/823068907.db2.gz NIHADLRKWBOAOP-GFCCVEGCSA-N 0 0 397.362 4.070 20 5 GIBDRN Cc1c(Br)ccnc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000570665642 823069238 /nfs/dbraw/zinc/06/92/38/823069238.db2.gz HGDZFJRAUIXBOC-UHFFFAOYSA-N 0 0 393.241 4.118 20 5 GIBDRN COc1ccc(COCCCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120820739 823071004 /nfs/dbraw/zinc/07/10/04/823071004.db2.gz AJIBRTGAYRGSQT-INIZCTEOSA-N 0 0 386.448 4.086 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c1 ZINC000570716023 823075101 /nfs/dbraw/zinc/07/51/01/823075101.db2.gz YOTJSJCNQDAMHR-AWEZNQCLSA-N 0 0 393.399 4.282 20 5 GIBDRN COc1ccc([C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000187497073 823075206 /nfs/dbraw/zinc/07/52/06/823075206.db2.gz PKNRWYXDZGAXRF-MRXNPFEDSA-N 0 0 397.353 4.048 20 5 GIBDRN Cc1ccc(OCc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)o2)c(C)c1 ZINC000570719271 823075318 /nfs/dbraw/zinc/07/53/18/823075318.db2.gz MEYCGHIJJQTKBV-UHFFFAOYSA-N 0 0 381.388 4.055 20 5 GIBDRN O=C(Nc1ccccc1COc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000056002532 823077648 /nfs/dbraw/zinc/07/76/48/823077648.db2.gz CKVPTEJBJMMHPE-UHFFFAOYSA-N 0 0 393.355 4.334 20 5 GIBDRN CCOc1cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC ZINC000570755801 823081584 /nfs/dbraw/zinc/08/15/84/823081584.db2.gz YXOHHFWOMCERTH-QWRGUYRKSA-N 0 0 390.358 4.309 20 5 GIBDRN Cc1cccnc1[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000175949165 823080090 /nfs/dbraw/zinc/08/00/90/823080090.db2.gz FHONVEBSQUPNGO-HNNXBMFYSA-N 0 0 392.253 4.188 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC1CCC1)CC(F)(F)F ZINC000175949974 823080329 /nfs/dbraw/zinc/08/03/29/823080329.db2.gz HIIWOFADCTYALL-UHFFFAOYSA-N 0 0 384.276 4.418 20 5 GIBDRN CC(=O)c1cc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)ccc1[N+](=O)[O-] ZINC000570749452 823080530 /nfs/dbraw/zinc/08/05/30/823080530.db2.gz PLBDBCKQQQUOPA-ZDUSSCGKSA-N 0 0 383.379 4.462 20 5 GIBDRN CO[C@H](C)c1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000175962242 823083216 /nfs/dbraw/zinc/08/32/16/823083216.db2.gz RDBWEDVGZGGPFX-OAHLLOKOSA-N 0 0 399.447 4.378 20 5 GIBDRN CO[C@@H](C)c1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000175962227 823083316 /nfs/dbraw/zinc/08/33/16/823083316.db2.gz RDBWEDVGZGGPFX-HNNXBMFYSA-N 0 0 399.447 4.378 20 5 GIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570771058 823084731 /nfs/dbraw/zinc/08/47/31/823084731.db2.gz HTNVXAOWGGOKEM-JCGVRSQUSA-N 0 0 376.840 4.244 20 5 GIBDRN O=C(Cc1c(F)cccc1F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000175981993 823088188 /nfs/dbraw/zinc/08/81/88/823088188.db2.gz RKDWSBQXNQZDHN-UHFFFAOYSA-N 0 0 388.292 4.007 20 5 GIBDRN Cc1ccc(C)n1-c1nc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000175988600 823089562 /nfs/dbraw/zinc/08/95/62/823089562.db2.gz JXKKKKRICWPFFE-UHFFFAOYSA-N 0 0 384.461 4.257 20 5 GIBDRN O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120971096 823095313 /nfs/dbraw/zinc/09/53/13/823095313.db2.gz WMFFZWJIDWEVOH-UHFFFAOYSA-N 0 0 382.807 4.027 20 5 GIBDRN CC(C)(C)OCc1cccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176037417 823102941 /nfs/dbraw/zinc/10/29/41/823102941.db2.gz VKJIZPTWYDMQHN-UHFFFAOYSA-N 0 0 376.840 4.493 20 5 GIBDRN CCNc1ccc(C(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000570882384 823101582 /nfs/dbraw/zinc/10/15/82/823101582.db2.gz BPOBGAQGYBOTEN-KUHUBIRLSA-N 0 0 385.489 4.345 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000176034537 823102008 /nfs/dbraw/zinc/10/20/08/823102008.db2.gz ZALFEUBZHWMJML-UHFFFAOYSA-N 0 0 390.386 4.273 20 5 GIBDRN C[C@H](NC(=O)N(CCCO)[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000458888530 823102424 /nfs/dbraw/zinc/10/24/24/823102424.db2.gz LRSPGXSKEOYMSK-KKSFZXQISA-N 0 0 397.475 4.127 20 5 GIBDRN CSCC1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000458937038 823108894 /nfs/dbraw/zinc/10/88/94/823108894.db2.gz WZAKILCZSBQRLM-UHFFFAOYSA-N 0 0 377.510 4.191 20 5 GIBDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000176060225 823109418 /nfs/dbraw/zinc/10/94/18/823109418.db2.gz JQLPEAZXGOGXNV-UHFFFAOYSA-N 0 0 389.205 4.129 20 5 GIBDRN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc2O1 ZINC000458945505 823109904 /nfs/dbraw/zinc/10/99/04/823109904.db2.gz LZSKLCZRQAPSDO-AUUYWEPGSA-N 0 0 381.432 4.181 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCC3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000570961139 823112260 /nfs/dbraw/zinc/11/22/60/823112260.db2.gz LVFXUBMYVJWKJV-SFHVURJKSA-N 0 0 384.480 4.013 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000187686534 823113152 /nfs/dbraw/zinc/11/31/52/823113152.db2.gz GMUAGOFIIMVALH-INIZCTEOSA-N 0 0 391.349 4.081 20 5 GIBDRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000056274064 823118017 /nfs/dbraw/zinc/11/80/17/823118017.db2.gz LZFXLOJUXZBGIK-CQSZACIVSA-N 0 0 390.823 4.367 20 5 GIBDRN CSc1cccc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000187725161 823120360 /nfs/dbraw/zinc/12/03/60/823120360.db2.gz WYNVSULTPJJELQ-ZDUSSCGKSA-N 0 0 384.379 4.393 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)cc1OC ZINC000056304273 823124370 /nfs/dbraw/zinc/12/43/70/823124370.db2.gz YTYAZPFDQMLJEX-ZDUSSCGKSA-N 0 0 388.420 4.432 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CSc1nc2ccccc2o1 ZINC000056287947 823121813 /nfs/dbraw/zinc/12/18/13/823121813.db2.gz BOAHRIBBNHZDJM-UHFFFAOYSA-N 0 0 385.445 4.265 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1-c1ccc(F)cc1 ZINC000056288260 823121823 /nfs/dbraw/zinc/12/18/23/823121823.db2.gz POVIRRDJKJSLIZ-UHFFFAOYSA-N 0 0 396.422 4.279 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C2)c1 ZINC000459065056 823122763 /nfs/dbraw/zinc/12/27/63/823122763.db2.gz IXEYVOFIZXSVTL-IYARVYRRSA-N 0 0 395.459 4.224 20 5 GIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459080043 823125039 /nfs/dbraw/zinc/12/50/39/823125039.db2.gz RQBIVXFYKGPNOY-GOEBONIOSA-N 0 0 389.477 4.111 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000121151783 823128108 /nfs/dbraw/zinc/12/81/08/823128108.db2.gz NIQVUGPTRLAFDR-INIZCTEOSA-N 0 0 388.395 4.119 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000056335562 823130166 /nfs/dbraw/zinc/13/01/66/823130166.db2.gz NMKHGHSVHJUCAY-HNNXBMFYSA-N 0 0 392.415 4.452 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121155614 823129229 /nfs/dbraw/zinc/12/92/29/823129229.db2.gz FBSOZTTXSRGMAW-HXUWFJFHSA-N 0 0 399.809 4.231 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000187782034 823131964 /nfs/dbraw/zinc/13/19/64/823131964.db2.gz BEWDYBTYPCIQML-UHFFFAOYSA-N 0 0 396.852 4.027 20 5 GIBDRN O=[N+]([O-])c1ccc2nc(N[C@H]3c4ccccc4CC34CCOCC4)ccc2c1 ZINC000571100525 823132409 /nfs/dbraw/zinc/13/24/09/823132409.db2.gz CCLNPDHDIPWAQW-NRFANRHFSA-N 0 0 375.428 4.071 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000056365222 823137535 /nfs/dbraw/zinc/13/75/35/823137535.db2.gz LRPMRDNHGPHFRF-NEPJUHHUSA-N 0 0 392.253 4.479 20 5 GIBDRN C[C@H](NC(=O)NCCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000056375011 823139343 /nfs/dbraw/zinc/13/93/43/823139343.db2.gz IQCNBDLQYVULJV-JTQLQIEISA-N 0 0 398.282 4.022 20 5 GIBDRN C[C@H](NC(=O)NCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056398323 823143169 /nfs/dbraw/zinc/14/31/69/823143169.db2.gz FSPYGDMGGMULAV-JTQLQIEISA-N 0 0 396.216 4.057 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2sc(CC)nc2C)c1 ZINC000571173330 823144164 /nfs/dbraw/zinc/14/41/64/823144164.db2.gz RVDGDZKXCFWTMD-LBPRGKRZSA-N 0 0 377.466 4.154 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000187841579 823144514 /nfs/dbraw/zinc/14/45/14/823144514.db2.gz ILKKUURKRJLABS-CQSZACIVSA-N 0 0 394.431 4.183 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459223549 823147247 /nfs/dbraw/zinc/14/72/47/823147247.db2.gz VNDZROOOMAZTIU-FXAWDEMLSA-N 0 0 396.491 4.290 20 5 GIBDRN CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1Cl ZINC000176202343 823151369 /nfs/dbraw/zinc/15/13/69/823151369.db2.gz OUZGQIRTYHWEBT-UHFFFAOYSA-N 0 0 393.802 4.088 20 5 GIBDRN C[C@H](Oc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000571240030 823153751 /nfs/dbraw/zinc/15/37/51/823153751.db2.gz JMDPKMSLOJQXBO-NSHDSACASA-N 0 0 383.326 4.246 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1OC ZINC000121282512 823154227 /nfs/dbraw/zinc/15/42/27/823154227.db2.gz VJCRLKIBYZPPQI-WMZOPIPTSA-N 0 0 398.459 4.143 20 5 GIBDRN Cc1ccccc1Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000571247347 823154996 /nfs/dbraw/zinc/15/49/96/823154996.db2.gz WRGUYSRDMKYKFJ-UHFFFAOYSA-N 0 0 379.464 4.038 20 5 GIBDRN 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ZINC000176734229 823280842 /nfs/dbraw/zinc/28/08/42/823280842.db2.gz RXALCXUUPVCWFR-XLIONFOSSA-N 0 0 397.475 4.355 20 5 GIBDRN CCOc1c(Cl)cc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000409679242 823281359 /nfs/dbraw/zinc/28/13/59/823281359.db2.gz QIGDUEIGQRMSQI-UHFFFAOYSA-N 0 0 393.827 4.286 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000176736817 823281438 /nfs/dbraw/zinc/28/14/38/823281438.db2.gz YKFPDTVSUKKRRD-HKUYNNGSSA-N 0 0 397.475 4.213 20 5 GIBDRN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2 ZINC000006440964 817692519 /nfs/dbraw/zinc/69/25/19/817692519.db2.gz QQCJFFQUIZSTJW-UHFFFAOYSA-N 0 0 380.447 4.026 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 ZINC000006454571 817693245 /nfs/dbraw/zinc/69/32/45/817693245.db2.gz AJVGKYMWCGAMMX-SECBINFHSA-N 0 0 399.628 4.417 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000409680880 823281642 /nfs/dbraw/zinc/28/16/42/823281642.db2.gz 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C[C@H](OC(=O)c1cn(C)c2ccccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006830555 817718197 /nfs/dbraw/zinc/71/81/97/817718197.db2.gz WUMCUKFLRQIRGR-LBPRGKRZSA-N 0 0 392.371 4.055 20 5 GIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc(-c2cccs2)o1 ZINC000006840698 817718949 /nfs/dbraw/zinc/71/89/49/817718949.db2.gz OLLVTTRGVABWNI-QMMMGPOBSA-N 0 0 379.781 4.278 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(N(C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176744898 823283218 /nfs/dbraw/zinc/28/32/18/823283218.db2.gz IQXQXUUPGSGNRR-KRWDZBQOSA-N 0 0 396.491 4.275 20 5 GIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000176747658 823283687 /nfs/dbraw/zinc/28/36/87/823283687.db2.gz DUPLZYXGLOVDBA-WBMJQRKESA-N 0 0 388.493 4.448 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(Br)cc1 ZINC000006953716 817728585 /nfs/dbraw/zinc/72/85/85/817728585.db2.gz MCYJTZUIOQNNCC-UHFFFAOYSA-N 0 0 382.239 4.175 20 5 GIBDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000572102726 823283862 /nfs/dbraw/zinc/28/38/62/823283862.db2.gz KPPQNAQPKZPDDV-FOIQADDNSA-N 0 0 378.472 4.006 20 5 GIBDRN CCc1ccc(-c2noc(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000006988305 817735586 /nfs/dbraw/zinc/73/55/86/817735586.db2.gz FXWYAGAWHIPYBN-UHFFFAOYSA-N 0 0 387.779 4.218 20 5 GIBDRN CC(C)c1ccc(CCNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007024390 817739812 /nfs/dbraw/zinc/73/98/12/817739812.db2.gz GZGIVDSFOWNLBF-UHFFFAOYSA-N 0 0 376.840 4.109 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000176751848 823284405 /nfs/dbraw/zinc/28/44/05/823284405.db2.gz MTDYKZXAEREMDG-BTYIYWSLSA-N 0 0 393.443 4.150 20 5 GIBDRN COc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000007035647 817743797 /nfs/dbraw/zinc/74/37/97/817743797.db2.gz KTYFVLOAMPCBTE-UHFFFAOYSA-N 0 0 394.383 4.413 20 5 GIBDRN COc1ccccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000007042117 817744911 /nfs/dbraw/zinc/74/49/11/817744911.db2.gz YINUMOYNBSVGDI-SNVBAGLBSA-N 0 0 383.326 4.061 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)n1 ZINC000176755899 823284823 /nfs/dbraw/zinc/28/48/23/823284823.db2.gz MOZVVGXIYRUNHK-UHFFFAOYSA-N 0 0 398.444 4.490 20 5 GIBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000007058415 817750104 /nfs/dbraw/zinc/75/01/04/817750104.db2.gz SDBRYCHAEDBPBC-UHFFFAOYSA-N 0 0 382.445 4.128 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(OC(F)F)cc1 ZINC000007108040 817761222 /nfs/dbraw/zinc/76/12/22/817761222.db2.gz VAQKRIJPEPXDIC-SECBINFHSA-N 0 0 399.733 4.278 20 5 GIBDRN Cc1nn(CCC(=O)Nc2ccc(CNc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000176762305 823286493 /nfs/dbraw/zinc/28/64/93/823286493.db2.gz KQXWROKWELLKBE-UHFFFAOYSA-N 0 0 393.447 4.049 20 5 GIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000572126967 823287120 /nfs/dbraw/zinc/28/71/20/823287120.db2.gz SRBSXACAMDRMCO-HXUWFJFHSA-N 0 0 385.464 4.405 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CNc2ccccc2)cc1 ZINC000176765803 823287250 /nfs/dbraw/zinc/28/72/50/823287250.db2.gz SDVXVMIZRJHUQS-UHFFFAOYSA-N 0 0 377.400 4.224 20 5 GIBDRN Cc1cccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1 ZINC000007168527 817778931 /nfs/dbraw/zinc/77/89/31/817778931.db2.gz ZPUVADDYMOWFAH-UHFFFAOYSA-N 0 0 389.480 4.126 20 5 GIBDRN Cc1cc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c(C)n1C ZINC000007169092 817778971 /nfs/dbraw/zinc/77/89/71/817778971.db2.gz NWDALPINYSRNRR-UHFFFAOYSA-N 0 0 391.496 4.017 20 5 GIBDRN COC(=O)c1ccc(CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 ZINC000007168398 817778986 /nfs/dbraw/zinc/77/89/86/817778986.db2.gz DKEPKKWJKONQAI-UHFFFAOYSA-N 0 0 390.464 4.166 20 5 GIBDRN Cc1cc(NCc2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000572130563 823287835 /nfs/dbraw/zinc/28/78/35/823287835.db2.gz KTEAOMSZGXCSES-UHFFFAOYSA-N 0 0 382.264 4.293 20 5 GIBDRN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000007237857 817801823 /nfs/dbraw/zinc/80/18/23/817801823.db2.gz ZRRCLDYLZNDMNY-UHFFFAOYSA-N 0 0 390.395 4.133 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n(C)n1 ZINC000409714598 823289186 /nfs/dbraw/zinc/28/91/86/823289186.db2.gz VVDHLYKEFCMGDD-UHFFFAOYSA-N 0 0 382.445 4.349 20 5 GIBDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000007283657 817810204 /nfs/dbraw/zinc/81/02/04/817810204.db2.gz YYYWPWKTEJJMBC-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN C[C@H](OC(=O)c1ccccc1I)c1cccc([N+](=O)[O-])c1 ZINC000007300517 817814853 /nfs/dbraw/zinc/81/48/53/817814853.db2.gz JTRZBSGFPZMIPN-JTQLQIEISA-N 0 0 397.168 4.117 20 5 GIBDRN O=Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000007396993 817830418 /nfs/dbraw/zinc/83/04/18/817830418.db2.gz OPXFDULJRATXID-UHFFFAOYSA-N 0 0 376.368 4.092 20 5 GIBDRN Cc1nc(-c2ccco2)ccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572158731 823292111 /nfs/dbraw/zinc/29/21/11/823292111.db2.gz HJHOGTALTDQYOF-UHFFFAOYSA-N 0 0 390.399 4.012 20 5 GIBDRN C[C@@H](OC(=O)CCc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007419063 817836611 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4.165 20 5 GIBDRN Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000007549308 817866973 /nfs/dbraw/zinc/86/69/73/817866973.db2.gz QKCUCOSQIBCQGZ-UHFFFAOYSA-N 0 0 380.400 4.104 20 5 GIBDRN C[C@H](OC(=O)COc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000007632285 817883112 /nfs/dbraw/zinc/88/31/12/817883112.db2.gz KBKAXEFSHFPBQO-JTQLQIEISA-N 0 0 398.184 4.180 20 5 GIBDRN Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000122061634 823300688 /nfs/dbraw/zinc/30/06/88/823300688.db2.gz UNZIUJAZOGSIRW-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000007853243 817939184 /nfs/dbraw/zinc/93/91/84/817939184.db2.gz GRMUXTOCIYWMNM-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000007858239 817941214 /nfs/dbraw/zinc/94/12/14/817941214.db2.gz KOMHIKVELMSZJE-SECBINFHSA-N 0 0 395.165 4.184 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(Br)s2)o1 ZINC000007890937 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GIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)cc1[N+](=O)[O-] ZINC000409773127 823303823 /nfs/dbraw/zinc/30/38/23/823303823.db2.gz LNJMQEQWWZVXOX-LLVKDONJSA-N 0 0 388.374 4.219 20 5 GIBDRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008075127 817994734 /nfs/dbraw/zinc/99/47/34/817994734.db2.gz FEMDALOYRFCKPA-UHFFFAOYSA-N 0 0 390.758 4.009 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000008127582 818004774 /nfs/dbraw/zinc/00/47/74/818004774.db2.gz BGTOWOQPMKTRHK-OAHLLOKOSA-N 0 0 393.443 4.216 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000008171896 818011470 /nfs/dbraw/zinc/01/14/70/818011470.db2.gz TXPBXAXKGCHPKX-GFCCVEGCSA-N 0 0 388.807 4.293 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000008204129 818017935 /nfs/dbraw/zinc/01/79/35/818017935.db2.gz WTELHJUVDFFAKE-OAHLLOKOSA-N 0 0 392.411 4.091 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NCc3ccccn3)cc2[N+](=O)[O-])cc1 ZINC000008290000 818030121 /nfs/dbraw/zinc/03/01/21/818030121.db2.gz LAUBCLPIVJPHAI-UHFFFAOYSA-N 0 0 379.441 4.379 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000176842157 823306615 /nfs/dbraw/zinc/30/66/15/823306615.db2.gz DOZIFKANGAZAFM-MRXNPFEDSA-N 0 0 389.839 4.114 20 5 GIBDRN Cc1cc2occ(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2cc1C ZINC000010965147 818036145 /nfs/dbraw/zinc/03/61/45/818036145.db2.gz AIGYCJFLRHVCDU-UHFFFAOYSA-N 0 0 396.399 4.300 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000010979591 818038794 /nfs/dbraw/zinc/03/87/94/818038794.db2.gz WPLDMBPJRISXMT-UHFFFAOYSA-N 0 0 399.281 4.005 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000010997891 818041961 /nfs/dbraw/zinc/04/19/61/818041961.db2.gz XKNQKHARTLNWON-UHFFFAOYSA-N 0 0 382.441 4.279 20 5 GIBDRN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000011025718 818045033 /nfs/dbraw/zinc/04/50/33/818045033.db2.gz ZKMVYEUDBIXZGV-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011341106 818073423 /nfs/dbraw/zinc/07/34/23/818073423.db2.gz IVEVDBITFOFSJQ-SNVBAGLBSA-N 0 0 381.251 4.477 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011482248 818086349 /nfs/dbraw/zinc/08/63/49/818086349.db2.gz ZQCXCGGPUYHYKH-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000011512502 818091141 /nfs/dbraw/zinc/09/11/41/818091141.db2.gz QUIGIWHRWMXRKO-UHFFFAOYSA-N 0 0 375.431 4.106 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000011720655 818113394 /nfs/dbraw/zinc/11/33/94/818113394.db2.gz XIHUYXKKGCZDME-CQSZACIVSA-N 0 0 391.880 4.404 20 5 GIBDRN CC(=O)c1ccc(OCCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000176885075 823317334 /nfs/dbraw/zinc/31/73/34/823317334.db2.gz LJQKLUGDVMTXDP-UHFFFAOYSA-N 0 0 384.432 4.008 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC000460207811 823317398 /nfs/dbraw/zinc/31/73/98/823317398.db2.gz DJIHNEQFAOQSHW-IBGZPJMESA-N 0 0 393.447 4.223 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000176886396 823317663 /nfs/dbraw/zinc/31/76/63/823317663.db2.gz AEGHEQKYJLTPDX-LBPRGKRZSA-N 0 0 389.433 4.035 20 5 GIBDRN COc1c(Br)c([N+](=O)[O-])c(NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000014206638 818227417 /nfs/dbraw/zinc/22/74/17/818227417.db2.gz RSKUZKJJHSTONC-UHFFFAOYSA-N 0 0 388.218 4.409 20 5 GIBDRN Cc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000014631258 818255300 /nfs/dbraw/zinc/25/53/00/818255300.db2.gz RIEOKUXMILVYPS-UHFFFAOYSA-N 0 0 376.368 4.375 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OCC ZINC000014724586 818261897 /nfs/dbraw/zinc/26/18/97/818261897.db2.gz HWOUWKHYKJVWSR-UHFFFAOYSA-N 0 0 385.420 4.219 20 5 GIBDRN C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014739021 818263745 /nfs/dbraw/zinc/26/37/45/818263745.db2.gz UKILQOLQJAJCSE-OAHLLOKOSA-N 0 0 390.395 4.232 20 5 GIBDRN Cc1sc2ncnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1C ZINC000409847591 823324631 /nfs/dbraw/zinc/32/46/31/823324631.db2.gz FTUDUVDBRCPPGQ-UHFFFAOYSA-N 0 0 388.474 4.337 20 5 GIBDRN O=C(Nc1ccccc1)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000014851671 818271779 /nfs/dbraw/zinc/27/17/79/818271779.db2.gz ICUUXPKTTHJFLA-LJQANCHMSA-N 0 0 376.368 4.132 20 5 GIBDRN COc1ccc(-c2nc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000014878169 818273832 /nfs/dbraw/zinc/27/38/32/818273832.db2.gz ADPNBSFZNNQGIE-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN CCNc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000015094169 818289854 /nfs/dbraw/zinc/28/98/54/818289854.db2.gz ZGTRORINWFWCSJ-LBPRGKRZSA-N 0 0 384.461 4.470 20 5 GIBDRN CCc1ccccc1NC(=O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015171702 818297111 /nfs/dbraw/zinc/29/71/11/818297111.db2.gz SRVUTSVYNKHGGL-UHFFFAOYSA-N 0 0 381.354 4.251 20 5 GIBDRN COc1ccccc1-c1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000176933490 823327816 /nfs/dbraw/zinc/32/78/16/823327816.db2.gz GTUJVVPPSXXOEY-UHFFFAOYSA-N 0 0 384.373 4.087 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015548307 818337112 /nfs/dbraw/zinc/33/71/12/818337112.db2.gz ZSYRSPUJZYDIDU-HXUWFJFHSA-N 0 0 383.448 4.078 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000015593530 818343840 /nfs/dbraw/zinc/34/38/40/818343840.db2.gz VOBFGGOWGZCCON-LJQANCHMSA-N 0 0 381.432 4.155 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000015593529 818343889 /nfs/dbraw/zinc/34/38/89/818343889.db2.gz VOBFGGOWGZCCON-IBGZPJMESA-N 0 0 381.432 4.155 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(C)ccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000015600552 818345517 /nfs/dbraw/zinc/34/55/17/818345517.db2.gz HCWSAALRDLMSFL-UHFFFAOYSA-N 0 0 382.395 4.156 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2)cc1OC ZINC000015628996 818350364 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CCNc1ccc(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000015827462 818373860 /nfs/dbraw/zinc/37/38/60/818373860.db2.gz HRDPSHKYFRQYCR-GOSISDBHSA-N 0 0 399.447 4.021 20 5 GIBDRN O=C(CCc1ccc(-c2ccccc2F)o1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000015835133 818375288 /nfs/dbraw/zinc/37/52/88/818375288.db2.gz JYCRLRWBKUJCBI-UHFFFAOYSA-N 0 0 397.406 4.155 20 5 GIBDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000188953397 823333215 /nfs/dbraw/zinc/33/32/15/823333215.db2.gz UMXIHQSSGNGGDH-NSHDSACASA-N 0 0 380.347 4.004 20 5 GIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1cccc(F)c1 ZINC000016054132 818387315 /nfs/dbraw/zinc/38/73/15/818387315.db2.gz MWXDZVSUTIDBIT-SECBINFHSA-N 0 0 377.422 4.463 20 5 GIBDRN Cc1nc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])n(C2CCCCC2)c1C ZINC000016129728 818395923 /nfs/dbraw/zinc/39/59/23/818395923.db2.gz HWQJDYCMMXCLJC-UHFFFAOYSA-N 0 0 388.493 4.305 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000016196207 818404781 /nfs/dbraw/zinc/40/47/81/818404781.db2.gz MCEUBJGAGFVKBN-UHFFFAOYSA-N 0 0 389.473 4.259 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000016195800 818404789 /nfs/dbraw/zinc/40/47/89/818404789.db2.gz BLMCFBBZRMHVPV-UHFFFAOYSA-N 0 0 388.445 4.236 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000016195991 818404828 /nfs/dbraw/zinc/40/48/28/818404828.db2.gz ILIVMWCOMXHFDQ-UHFFFAOYSA-N 0 0 388.445 4.037 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 ZINC000016196159 818404848 /nfs/dbraw/zinc/40/48/48/818404848.db2.gz RPRJMOCSORQHRI-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000016206664 818406163 /nfs/dbraw/zinc/40/61/63/818406163.db2.gz DORBCGUITCFSLF-UHFFFAOYSA-N 0 0 387.461 4.051 20 5 GIBDRN CCN(CC)C(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000176968252 823337445 /nfs/dbraw/zinc/33/74/45/823337445.db2.gz ZGMXLNCVLBRWAV-UHFFFAOYSA-N 0 0 398.463 4.134 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000016209783 818406804 /nfs/dbraw/zinc/40/68/04/818406804.db2.gz XYMUHCVTAFTQGP-MRXNPFEDSA-N 0 0 397.412 4.006 20 5 GIBDRN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016301172 818419046 /nfs/dbraw/zinc/41/90/46/818419046.db2.gz SBPJRRBIIWPTAZ-UHFFFAOYSA-N 0 0 393.365 4.144 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000016302934 818419858 /nfs/dbraw/zinc/41/98/58/818419858.db2.gz QYBYEUCWAMEMDQ-LBPRGKRZSA-N 0 0 397.431 4.144 20 5 GIBDRN Cc1ccccc1CCNC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000016325219 818423650 /nfs/dbraw/zinc/42/36/50/818423650.db2.gz IACIBZXXWIPDCV-UHFFFAOYSA-N 0 0 396.468 4.369 20 5 GIBDRN CC(C)(C)[C@H](NCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccccc1 ZINC000057821291 823337659 /nfs/dbraw/zinc/33/76/59/823337659.db2.gz GIOZPHXCXIBLFA-OAQYLSRUSA-N 0 0 392.459 4.153 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1ccc(F)cc1F 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CCc1sc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000017725206 818525260 /nfs/dbraw/zinc/52/52/60/818525260.db2.gz RWQFQPPVEDDHBT-NSHDSACASA-N 0 0 387.417 4.495 20 5 GIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572454467 823342680 /nfs/dbraw/zinc/34/26/80/823342680.db2.gz UBFPZBDYSMTGEU-HNNXBMFYSA-N 0 0 385.489 4.199 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000460296021 823343784 /nfs/dbraw/zinc/34/37/84/823343784.db2.gz LDUDUGLVXQMNJF-LBPRGKRZSA-N 0 0 387.390 4.349 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000460298860 823344538 /nfs/dbraw/zinc/34/45/38/823344538.db2.gz QANBJKSLSZOQTM-QAPCUYQASA-N 0 0 377.448 4.256 20 5 GIBDRN CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000018077331 818543682 /nfs/dbraw/zinc/54/36/82/818543682.db2.gz GMFZEYAXFUHIDU-UHFFFAOYSA-N 0 0 384.310 4.273 20 5 GIBDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)NC(C)C 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CFBWZNPPAFAVAJ-LLVKDONJSA-N 0 0 395.228 4.259 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC000460304853 823346812 /nfs/dbraw/zinc/34/68/12/823346812.db2.gz KBQYKHPZENVDQW-CQSZACIVSA-N 0 0 381.436 4.079 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1[N+](=O)[O-] ZINC000019005520 818583856 /nfs/dbraw/zinc/58/38/56/818583856.db2.gz LQFJIARERPKTBP-UHFFFAOYSA-N 0 0 394.431 4.322 20 5 GIBDRN Cc1c(CC(=O)Nc2cc(F)cc(F)c2Br)cccc1[N+](=O)[O-] ZINC000189047963 823347801 /nfs/dbraw/zinc/34/78/01/823347801.db2.gz RAOMKSZRVNSGHL-UHFFFAOYSA-N 0 0 385.164 4.125 20 5 GIBDRN O=C(OCc1ccccc1[N+](=O)[O-])c1nccnc1-c1nc2ccccc2s1 ZINC000019233657 818589377 /nfs/dbraw/zinc/58/93/77/818589377.db2.gz NECZVVDKYSPZNW-UHFFFAOYSA-N 0 0 392.396 4.019 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2Cl)cc1OC ZINC000019358337 818591938 /nfs/dbraw/zinc/59/19/38/818591938.db2.gz BBAAUQHLOPNMIA-LLVKDONJSA-N 0 0 378.812 4.147 20 5 GIBDRN 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COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000122793497 823413112 /nfs/dbraw/zinc/41/31/12/823413112.db2.gz SDOUJUKCCWXNGT-UHFFFAOYSA-N 0 0 397.431 4.039 20 5 GIBDRN Cc1cc(C)c(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])c(C)c1 ZINC000122791747 823413116 /nfs/dbraw/zinc/41/31/16/823413116.db2.gz XVCPNOLKWSJINE-UHFFFAOYSA-N 0 0 393.237 4.300 20 5 GIBDRN Cc1cc(C)cc(C[C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000460501972 823410122 /nfs/dbraw/zinc/41/01/22/823410122.db2.gz HDLOGRFNZJZJRP-SFHVURJKSA-N 0 0 395.503 4.175 20 5 GIBDRN Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000572858794 823410333 /nfs/dbraw/zinc/41/03/33/823410333.db2.gz XBEJSTZNHLDOJR-UHFFFAOYSA-N 0 0 397.353 4.232 20 5 GIBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000122816084 823417372 /nfs/dbraw/zinc/41/73/72/823417372.db2.gz JSISXMGKCSNFKF-QUCCMNQESA-N 0 0 398.484 4.018 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000460522844 823417989 /nfs/dbraw/zinc/41/79/89/823417989.db2.gz FIFIILXHGKVOCT-UHFFFAOYSA-N 0 0 398.459 4.130 20 5 GIBDRN Cc1cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000460522598 823418113 /nfs/dbraw/zinc/41/81/13/823418113.db2.gz RMBXEDXBVSAQCE-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN Cc1ccc(CC[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000460531099 823421605 /nfs/dbraw/zinc/42/16/05/823421605.db2.gz WOLXAXXJENPOBF-LBPRGKRZSA-N 0 0 385.445 4.371 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CC[C@@](F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000572941441 823424291 /nfs/dbraw/zinc/42/42/91/823424291.db2.gz IVTZBAVGFCYLSQ-XOBRGWDASA-N 0 0 389.402 4.384 20 5 GIBDRN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000460529130 823420911 /nfs/dbraw/zinc/42/09/11/823420911.db2.gz DMMBWJYCICBZIR-UHFFFAOYSA-N 0 0 392.459 4.139 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000460545892 823427077 /nfs/dbraw/zinc/42/70/77/823427077.db2.gz 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O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000024938641 819897736 /nfs/dbraw/zinc/89/77/36/819897736.db2.gz PEPNWPGSFPDMIS-UHFFFAOYSA-N 0 0 398.221 4.003 20 5 GIBDRN O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000410258036 823437154 /nfs/dbraw/zinc/43/71/54/823437154.db2.gz COGRJZLLJPBJDJ-SNVBAGLBSA-N 0 0 396.312 4.091 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025041439 819914449 /nfs/dbraw/zinc/91/44/49/819914449.db2.gz GFXWHZHFAXDDKS-HXUWFJFHSA-N 0 0 393.487 4.045 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000025099980 819928623 /nfs/dbraw/zinc/92/86/23/819928623.db2.gz SRIBDHGPEPSWBE-HUUCEWRRSA-N 0 0 378.469 4.337 20 5 GIBDRN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000058719230 823438700 /nfs/dbraw/zinc/43/87/00/823438700.db2.gz YZBYUTRYNCLZGE-UHFFFAOYSA-N 0 0 388.811 4.033 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cccs2)c1 ZINC000025268489 819953428 /nfs/dbraw/zinc/95/34/28/819953428.db2.gz FGPDOJSEXRKPIU-UHFFFAOYSA-N 0 0 397.456 4.077 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CCc4ccc(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000058741110 823442430 /nfs/dbraw/zinc/44/24/30/823442430.db2.gz VTVXKXNYFXDDGK-UHFFFAOYSA-N 0 0 383.423 4.173 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529999 819997021 /nfs/dbraw/zinc/99/70/21/819997021.db2.gz VRIYMKMTANRHEH-GFCCVEGCSA-N 0 0 399.447 4.281 20 5 GIBDRN O=C(Nc1ccc(OC(=O)c2cc(Cl)c[nH]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000025710047 820017043 /nfs/dbraw/zinc/01/70/43/820017043.db2.gz UUAYLKPSUMYYFF-UHFFFAOYSA-N 0 0 385.763 4.048 20 5 GIBDRN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000410281732 823447351 /nfs/dbraw/zinc/44/73/51/823447351.db2.gz BHSRNWFFRAXAAG-CQSZACIVSA-N 0 0 396.472 4.398 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000025907177 820037647 /nfs/dbraw/zinc/03/76/47/820037647.db2.gz DPEOIYXQHMPWFU-JTQLQIEISA-N 0 0 398.246 4.200 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000025957378 820043877 /nfs/dbraw/zinc/04/38/77/820043877.db2.gz QWNDNXVWGOPOSZ-FQEVSTJZSA-N 0 0 396.468 4.395 20 5 GIBDRN CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000026082750 820056478 /nfs/dbraw/zinc/05/64/78/820056478.db2.gz DQRKONMXBBGJGK-NORZTCDRSA-N 0 0 394.855 4.357 20 5 GIBDRN CCCn1nccc1C1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000410285710 823449173 /nfs/dbraw/zinc/44/91/73/823449173.db2.gz SWFOANPFTLYAEQ-UHFFFAOYSA-N 0 0 390.871 4.183 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000026113432 820059317 /nfs/dbraw/zinc/05/93/17/820059317.db2.gz IWLSRUWOJRLYTI-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000026117650 820060652 /nfs/dbraw/zinc/06/06/52/820060652.db2.gz YMGXEJGHUFVAJI-CQSZACIVSA-N 0 0 378.384 4.240 20 5 GIBDRN CC(=O)Nc1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000026144221 820064230 /nfs/dbraw/zinc/06/42/30/820064230.db2.gz BWNBMKFCPUDQSU-UHFFFAOYSA-N 0 0 389.411 4.396 20 5 GIBDRN C[C@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000026244627 820074213 /nfs/dbraw/zinc/07/42/13/820074213.db2.gz GCGBTAHKYCKYHK-ZDUSSCGKSA-N 0 0 385.807 4.411 20 5 GIBDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc2ccccc2s1 ZINC000410288693 823450648 /nfs/dbraw/zinc/45/06/48/823450648.db2.gz RTOXWEHJVMOYNZ-LLVKDONJSA-N 0 0 384.413 4.072 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] ZINC000026346788 820086483 /nfs/dbraw/zinc/08/64/83/820086483.db2.gz GMYMRXYYQFZPJW-SNVBAGLBSA-N 0 0 385.367 4.436 20 5 GIBDRN CC(C)Cn1c(-c2cccnc2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460611473 823455535 /nfs/dbraw/zinc/45/55/35/823455535.db2.gz KFPSEWYZDWZTTK-UHFFFAOYSA-N 0 0 392.463 4.073 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(CN2CCOCC2)cc1 ZINC000026760255 820140418 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O=[N+]([O-])c1cnc(N2CCC(c3cccc(F)c3F)CC2)c(Br)c1 ZINC000573178021 823461230 /nfs/dbraw/zinc/46/12/30/823461230.db2.gz SMOGGMLSHFOWRS-UHFFFAOYSA-N 0 0 398.207 4.415 20 5 GIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027183028 820206903 /nfs/dbraw/zinc/20/69/03/820206903.db2.gz HLYCZUPLEVGQCO-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN Cc1cc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] ZINC000027385429 820236289 /nfs/dbraw/zinc/23/62/89/820236289.db2.gz VAYQDTHMCVMRFS-UHFFFAOYSA-N 0 0 382.397 4.436 20 5 GIBDRN CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000460639918 823464058 /nfs/dbraw/zinc/46/40/58/823464058.db2.gz YRNDVIQFTXUIHR-CQSZACIVSA-N 0 0 390.823 4.221 20 5 GIBDRN Cc1ccc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000058930170 823471741 /nfs/dbraw/zinc/47/17/41/823471741.db2.gz HCCIDIMTUZNNAZ-UHFFFAOYSA-N 0 0 383.326 4.166 20 5 GIBDRN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000027659530 820271346 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4.099 20 5 GIBDRN Cc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000041400722 821188762 /nfs/dbraw/zinc/18/87/62/821188762.db2.gz YCGCMIRRTKNVKC-GOSISDBHSA-N 0 0 387.867 4.124 20 5 GIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000177853448 823536617 /nfs/dbraw/zinc/53/66/17/823536617.db2.gz AWSYIEARVFOYGO-LRDDRELGSA-N 0 0 388.493 4.394 20 5 GIBDRN C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)C1 ZINC000460912064 823540969 /nfs/dbraw/zinc/54/09/69/823540969.db2.gz KWMGOQPRHADINK-LZQZEXGQSA-N 0 0 399.495 4.047 20 5 GIBDRN CC[C@@H](C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCCO1 ZINC000460897443 823537701 /nfs/dbraw/zinc/53/77/01/823537701.db2.gz QOMPWKZISGONSM-DNVCBOLYSA-N 0 0 399.495 4.048 20 5 GIBDRN Cc1sc(C(=O)Nc2ccccc2OCc2cscn2)cc1[N+](=O)[O-] ZINC000123761985 823538398 /nfs/dbraw/zinc/53/83/98/823538398.db2.gz WZZICUFLJULDTJ-UHFFFAOYSA-N 0 0 375.431 4.253 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccnc1Oc1ccccc1 ZINC000041865545 821239618 /nfs/dbraw/zinc/23/96/18/821239618.db2.gz UPTQFCZTWTUTDL-UHFFFAOYSA-N 0 0 378.388 4.223 20 5 GIBDRN COc1cc(C(=O)N2CC[C@@H](C)c3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000041968391 821249664 /nfs/dbraw/zinc/24/96/64/821249664.db2.gz LXFDNVZYCMCTMP-LLVKDONJSA-N 0 0 392.358 4.359 20 5 GIBDRN COc1ccc(C(=O)CCCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000177871211 823539133 /nfs/dbraw/zinc/53/91/33/823539133.db2.gz FBHZPYMEIPBJSH-OAHLLOKOSA-N 0 0 384.432 4.142 20 5 GIBDRN COC(=O)c1sc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1C(C)C ZINC000411057761 823539218 /nfs/dbraw/zinc/53/92/18/823539218.db2.gz QEGLTQNKEOJCON-UHFFFAOYSA-N 0 0 397.840 4.175 20 5 GIBDRN CC[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)CC1 ZINC000460904744 823539260 /nfs/dbraw/zinc/53/92/60/823539260.db2.gz BGVAKIJJAHTVQY-VQIMIIECSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000177872205 823539385 /nfs/dbraw/zinc/53/93/85/823539385.db2.gz QDASLWZJDSVKFF-CQSZACIVSA-N 0 0 381.436 4.028 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000177875787 823539943 /nfs/dbraw/zinc/53/99/43/823539943.db2.gz AJCLDBIIHYCIHG-ZDUSSCGKSA-N 0 0 398.850 4.448 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(CN3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000042097211 821265041 /nfs/dbraw/zinc/26/50/41/821265041.db2.gz JICCERUDQPSSSY-UHFFFAOYSA-N 0 0 399.451 4.062 20 5 GIBDRN Cn1c(COc2ccccc2Cl)nnc1Sc1ccc([N+](=O)[O-])cc1F ZINC000042097166 821265132 /nfs/dbraw/zinc/26/51/32/821265132.db2.gz UYCQBGHGAPAUAX-UHFFFAOYSA-N 0 0 394.815 4.246 20 5 GIBDRN CC(C)C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460909078 823540136 /nfs/dbraw/zinc/54/01/36/823540136.db2.gz NNXMFNBAFROHAU-HKUYNNGSSA-N 0 0 399.495 4.047 20 5 GIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000042137508 821273177 /nfs/dbraw/zinc/27/31/77/821273177.db2.gz KDCQAIGGJSSCFY-OAHLLOKOSA-N 0 0 376.796 4.058 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(F)cc1Cl ZINC000042918661 821344844 /nfs/dbraw/zinc/34/48/44/821344844.db2.gz FYEAARRALNUKAC-UHFFFAOYSA-N 0 0 378.665 4.380 20 5 GIBDRN CCCOc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000042918562 821344921 /nfs/dbraw/zinc/34/49/21/821344921.db2.gz SYVSVNPGLDEWJR-UHFFFAOYSA-N 0 0 396.346 4.003 20 5 GIBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(Br)s1 ZINC000042371387 821305028 /nfs/dbraw/zinc/30/50/28/821305028.db2.gz MSWUJHLWQDEMSH-UHFFFAOYSA-N 0 0 393.060 4.188 20 5 GIBDRN C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042568897 821311619 /nfs/dbraw/zinc/31/16/19/821311619.db2.gz UGACFYRORLTYBN-MRVPVSSYSA-N 0 0 384.845 4.048 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(c2ccc(F)cc2)CCC1 ZINC000042918142 821344315 /nfs/dbraw/zinc/34/43/15/821344315.db2.gz IGRCLERTBVKRNY-UHFFFAOYSA-N 0 0 380.322 4.396 20 5 GIBDRN COCc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918500 821344691 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Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000180860517 821498818 /nfs/dbraw/zinc/49/88/18/821498818.db2.gz MTNDQDVLLLFABP-UHFFFAOYSA-N 0 0 388.383 4.161 20 5 GIBDRN CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1C ZINC000044039089 821509454 /nfs/dbraw/zinc/50/94/54/821509454.db2.gz YRIBPXSGGUZEPZ-UHFFFAOYSA-N 0 0 392.459 4.432 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nc4cc(F)c(F)cc4[nH]3)n2)cc1 ZINC000044040310 821509614 /nfs/dbraw/zinc/50/96/14/821509614.db2.gz FERWUJBZALRNRY-UHFFFAOYSA-N 0 0 389.343 4.092 20 5 GIBDRN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000044524037 821599895 /nfs/dbraw/zinc/59/98/95/821599895.db2.gz DCODBWXDBVJGFN-CYBMUJFWSA-N 0 0 395.440 4.400 20 5 GIBDRN Cc1sc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000044578645 821613968 /nfs/dbraw/zinc/61/39/68/821613968.db2.gz HERHAEPJKZFUDW-SFHVURJKSA-N 0 0 395.440 4.075 20 5 GIBDRN COc1ccc(OC(F)F)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000044587447 821616100 /nfs/dbraw/zinc/61/61/00/821616100.db2.gz XHZLXECRKXWLJP-SNVBAGLBSA-N 0 0 398.387 4.324 20 5 GIBDRN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 ZINC000044620550 821623918 /nfs/dbraw/zinc/62/39/18/821623918.db2.gz FEZVRAGCQJYGTI-JTQLQIEISA-N 0 0 375.331 4.169 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000181121318 821646264 /nfs/dbraw/zinc/64/62/64/821646264.db2.gz MHOSPDFVJGGADW-UHFFFAOYSA-N 0 0 377.400 4.146 20 5 GIBDRN CCc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cn2)c1 ZINC000044788708 821661808 /nfs/dbraw/zinc/66/18/08/821661808.db2.gz JQGMPWWDYPMYCQ-UHFFFAOYSA-N 0 0 378.388 4.300 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](Nc2cnn(Cc3ccncc3)c2)c2ccccc2)c1 ZINC000181166730 821675082 /nfs/dbraw/zinc/67/50/82/821675082.db2.gz UYDXXFUXIOZIEA-QFIPXVFZSA-N 0 0 385.427 4.436 20 5 GIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000044884787 821676953 /nfs/dbraw/zinc/67/69/53/821676953.db2.gz 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ZINC000454405445 822470245 /nfs/dbraw/zinc/47/02/45/822470245.db2.gz LNAOEMNDZZMWME-LJQANCHMSA-N 0 0 390.443 4.232 20 5 GIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000454425800 822473694 /nfs/dbraw/zinc/47/36/94/822473694.db2.gz NHYMDHNNFPEBBB-NSHDSACASA-N 0 0 397.353 4.183 20 5 GIBDRN COc1ccc(Oc2cc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])ccn2)cc1 ZINC000046457436 822474732 /nfs/dbraw/zinc/47/47/32/822474732.db2.gz MYHBNLBIOVZBHV-UHFFFAOYSA-N 0 0 393.399 4.029 20 5 GIBDRN O=C(Nc1nc2ccccn2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000179388041 822475234 /nfs/dbraw/zinc/47/52/34/822475234.db2.gz BWDXNXXBEFCDKN-UHFFFAOYSA-N 0 0 391.412 4.041 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)nc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179397743 822476843 /nfs/dbraw/zinc/47/68/43/822476843.db2.gz FHVJKBKNFHFXMW-UHFFFAOYSA-N 0 0 399.756 4.467 20 5 GIBDRN COc1cc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1O ZINC000046484676 822477417 /nfs/dbraw/zinc/47/74/17/822477417.db2.gz GJHAGXVLHJKCHG-UHFFFAOYSA-N 0 0 378.384 4.152 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000179419635 822479651 /nfs/dbraw/zinc/47/96/51/822479651.db2.gz KKWZFYWELKPKGY-UHFFFAOYSA-N 0 0 396.163 4.164 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000183476591 822481592 /nfs/dbraw/zinc/48/15/92/822481592.db2.gz XUARGSRQAGYXDZ-OAHLLOKOSA-N 0 0 376.281 4.275 20 5 GIBDRN O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cccc([N+](=O)[O-])c1 ZINC000046531513 822482563 /nfs/dbraw/zinc/48/25/63/822482563.db2.gz UKMVHJSPXQGHFR-UHFFFAOYSA-N 0 0 392.367 4.155 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cccc1C(=O)N1CCCC1 ZINC000183480053 822482590 /nfs/dbraw/zinc/48/25/90/822482590.db2.gz OHSUYWQJWZZGAR-CQSZACIVSA-N 0 0 399.422 4.021 20 5 GIBDRN CCC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000454484663 822482659 /nfs/dbraw/zinc/48/26/59/822482659.db2.gz HNJRBNUWWGMQKM-MRXNPFEDSA-N 0 0 396.447 4.355 20 5 GIBDRN CC(C)[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 ZINC000179438801 822482926 /nfs/dbraw/zinc/48/29/26/822482926.db2.gz LOQFIIZEMWVUBR-FQEVSTJZSA-N 0 0 391.431 4.008 20 5 GIBDRN O=[N+]([O-])c1cc(CNC2(c3ccc(F)cc3F)CCCC2)c2c(c1)COCO2 ZINC000179462611 822486315 /nfs/dbraw/zinc/48/63/15/822486315.db2.gz NQXASLKDQHZFQJ-UHFFFAOYSA-N 0 0 390.386 4.299 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454506668 822486920 /nfs/dbraw/zinc/48/69/20/822486920.db2.gz ARCQEPUSLRYNCZ-BDAKNGLRSA-N 0 0 397.300 4.391 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000183539223 822491915 /nfs/dbraw/zinc/49/19/15/822491915.db2.gz ASDQGMYLJXHOIM-CQSZACIVSA-N 0 0 398.893 4.002 20 5 GIBDRN C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000046612452 822492364 /nfs/dbraw/zinc/49/23/64/822492364.db2.gz OLGXDZKVSGXBBM-LBPRGKRZSA-N 0 0 379.363 4.099 20 5 GIBDRN Cc1csc([C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)n1 ZINC000183553031 822493915 /nfs/dbraw/zinc/49/39/15/822493915.db2.gz GQONVRHGCHRPSF-BONVTDFDSA-N 0 0 394.884 4.081 20 5 GIBDRN CCOc1ccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000046640459 822496891 /nfs/dbraw/zinc/49/68/91/822496891.db2.gz HDVPPHBAULRCGL-LLVKDONJSA-N 0 0 380.347 4.086 20 5 GIBDRN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000046644620 822497323 /nfs/dbraw/zinc/49/73/23/822497323.db2.gz ZNBGYMYZXZIIDY-CQSZACIVSA-N 0 0 382.395 4.143 20 5 GIBDRN CC(C)Oc1ccc([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000179529653 822497795 /nfs/dbraw/zinc/49/77/95/822497795.db2.gz LGRRREMHHRPKIL-CQSZACIVSA-N 0 0 382.420 4.283 20 5 GIBDRN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-n2cccn2)c1 ZINC000183596719 822499162 /nfs/dbraw/zinc/49/91/62/822499162.db2.gz GUCQRBPGPXRCIA-OAHLLOKOSA-N 0 0 389.415 4.286 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000046652780 822499245 /nfs/dbraw/zinc/49/92/45/822499245.db2.gz DXMRXWOWMWMOFG-UHFFFAOYSA-N 0 0 399.447 4.118 20 5 GIBDRN Cc1cccc([C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000179536689 822499458 /nfs/dbraw/zinc/49/94/58/822499458.db2.gz BRJLDINMCNHYAV-OAQYLSRUSA-N 0 0 390.443 4.229 20 5 GIBDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000046683630 822504578 /nfs/dbraw/zinc/50/45/78/822504578.db2.gz VPKBIFXTBRNRDF-OAHLLOKOSA-N 0 0 393.390 4.489 20 5 GIBDRN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(OC(F)F)c1 ZINC000179590118 822508240 /nfs/dbraw/zinc/50/82/40/822508240.db2.gz TWHDLIIRXVPUEX-NSHDSACASA-N 0 0 390.346 4.097 20 5 GIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183670107 822508455 /nfs/dbraw/zinc/50/84/55/822508455.db2.gz OIQVXZSLCXPCHV-AWEZNQCLSA-N 0 0 379.420 4.280 20 5 GIBDRN Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000183680374 822510281 /nfs/dbraw/zinc/51/02/81/822510281.db2.gz HMVLVKBWKGOOJW-UHFFFAOYSA-N 0 0 379.269 4.260 20 5 GIBDRN O=C(Cc1ccccc1)Nc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000046734440 822511206 /nfs/dbraw/zinc/51/12/06/822511206.db2.gz YHIQETHTLKIIEF-UHFFFAOYSA-N 0 0 399.403 4.229 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000179607546 822511780 /nfs/dbraw/zinc/51/17/80/822511780.db2.gz KLTSBPXAVUOWOR-HXUWFJFHSA-N 0 0 394.406 4.060 20 5 GIBDRN CC[C@H](CSc1ccccc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179613179 822512937 /nfs/dbraw/zinc/51/29/37/822512937.db2.gz BGYWEBZREUDHIL-LLVKDONJSA-N 0 0 386.520 4.043 20 5 GIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183717788 822516177 /nfs/dbraw/zinc/51/61/77/822516177.db2.gz LYFMSRITAAKGAU-UHFFFAOYSA-N 0 0 391.431 4.285 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)cc1[N+](=O)[O-] ZINC000046777639 822516239 /nfs/dbraw/zinc/51/62/39/822516239.db2.gz IXMSPFXDJZZWCS-UHFFFAOYSA-N 0 0 386.795 4.085 20 5 GIBDRN O=C1COc2cc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccc2N1 ZINC000183750889 822522059 /nfs/dbraw/zinc/52/20/59/822522059.db2.gz AVWWGANXUGYFAC-UHFFFAOYSA-N 0 0 381.413 4.266 20 5 GIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000046839450 822522905 /nfs/dbraw/zinc/52/29/05/822522905.db2.gz OCSFCPSCRPHHDL-UHFFFAOYSA-N 0 0 396.447 4.324 20 5 GIBDRN CC(C)Oc1cccc([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000179665132 822523078 /nfs/dbraw/zinc/52/30/78/822523078.db2.gz YYVQTWQPDLMVBB-AWEZNQCLSA-N 0 0 382.420 4.283 20 5 GIBDRN C[C@H](C(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000183763038 822524496 /nfs/dbraw/zinc/52/44/96/822524496.db2.gz OLNYTJGKXMVTMD-XOBRGWDASA-N 0 0 379.391 4.138 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000179675309 822524749 /nfs/dbraw/zinc/52/47/49/822524749.db2.gz BUBHZANTIHEZOE-YJBOKZPZSA-N 0 0 391.374 4.142 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000046881090 822526500 /nfs/dbraw/zinc/52/65/00/822526500.db2.gz BQPPLKSNPUYENK-UHFFFAOYSA-N 0 0 385.420 4.149 20 5 GIBDRN C[C@@H](C(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183775455 822526707 /nfs/dbraw/zinc/52/67/07/822526707.db2.gz IWCNRIHPWURFMU-PXAZEXFGSA-N 0 0 385.420 4.200 20 5 GIBDRN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000046893872 822527303 /nfs/dbraw/zinc/52/73/03/822527303.db2.gz AIZXKUACUOXFCJ-HNNXBMFYSA-N 0 0 394.431 4.059 20 5 GIBDRN COc1c(C)cnc(CN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000183781963 822527599 /nfs/dbraw/zinc/52/75/99/822527599.db2.gz HXDHULRWQRAYBN-UHFFFAOYSA-N 0 0 398.488 4.371 20 5 GIBDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000454751902 822528184 /nfs/dbraw/zinc/52/81/84/822528184.db2.gz PBHZSVQVPFAAMM-LNLFQRSKSA-N 0 0 389.496 4.078 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000454753873 822528577 /nfs/dbraw/zinc/52/85/77/822528577.db2.gz FNYPGIPVLMBRQX-SJCJKPOMSA-N 0 0 375.375 4.481 20 5 GIBDRN CC[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000183835375 822533772 /nfs/dbraw/zinc/53/37/72/822533772.db2.gz GLYFTZKQBBVMEQ-HXUWFJFHSA-N 0 0 393.487 4.175 20 5 GIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454788994 822534337 /nfs/dbraw/zinc/53/43/37/822534337.db2.gz ZHQRAVHYOZYOBX-KRWDZBQOSA-N 0 0 389.839 4.321 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183876050 822539390 /nfs/dbraw/zinc/53/93/90/822539390.db2.gz PUDJYAMVQQAGHC-UHFFFAOYSA-N 0 0 394.456 4.094 20 5 GIBDRN CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000454823806 822541122 /nfs/dbraw/zinc/54/11/22/822541122.db2.gz YZSZSJZMNHVRAA-NLWGTHIKSA-N 0 0 389.496 4.078 20 5 GIBDRN O=C(N[C@H]1CCOc2c(F)cccc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454827884 822541761 /nfs/dbraw/zinc/54/17/61/822541761.db2.gz HWWSPQJCGIIDMA-KXBFYZLASA-N 0 0 399.422 4.147 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])cc1OC ZINC000179753776 822543326 /nfs/dbraw/zinc/54/33/26/822543326.db2.gz ACFGXNUAXJUQLD-QGZVFWFLSA-N 0 0 384.432 4.118 20 5 GIBDRN O=C(N[C@@H]1CCOc2ccc(F)cc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454837505 822543516 /nfs/dbraw/zinc/54/35/16/822543516.db2.gz XELVHOGDJGQCHL-HNAYVOBHSA-N 0 0 399.422 4.147 20 5 GIBDRN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000179772223 822549625 /nfs/dbraw/zinc/54/96/25/822549625.db2.gz XHFQMNLENSSDPP-OAHLLOKOSA-N 0 0 383.782 4.206 20 5 GIBDRN Cc1ccc2nc(-c3ccc(NC(=O)Cn4nccc4[N+](=O)[O-])cc3)sc2c1 ZINC000047169208 822550073 /nfs/dbraw/zinc/55/00/73/822550073.db2.gz FOOAKZZHVTUBIL-UHFFFAOYSA-N 0 0 393.428 4.015 20 5 GIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000047169780 822550286 /nfs/dbraw/zinc/55/02/86/822550286.db2.gz FJMVWXGRTRSOFV-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2[N+](=O)[O-])C1 ZINC000047178704 822551441 /nfs/dbraw/zinc/55/14/41/822551441.db2.gz GFVLPRGNVMIGLT-AWEZNQCLSA-N 0 0 391.431 4.027 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000047225436 822556004 /nfs/dbraw/zinc/55/60/04/822556004.db2.gz GSKYQJICFKPDBZ-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN C[C@@H](NCc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccc([N+](=O)[O-])c1 ZINC000183988287 822558624 /nfs/dbraw/zinc/55/86/24/822558624.db2.gz CLNVPLIMLWRABN-GFCCVEGCSA-N 0 0 384.461 4.436 20 5 GIBDRN Cc1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000183987343 822558681 /nfs/dbraw/zinc/55/86/81/822558681.db2.gz ZAKZTYNNHWDQCP-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN COc1c(F)cc(F)cc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454948954 822561984 /nfs/dbraw/zinc/56/19/84/822561984.db2.gz AMCOZETVRRZFFN-ZDUSSCGKSA-N 0 0 391.374 4.293 20 5 GIBDRN Cc1cc([C@H]2CCCN2C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)on1 ZINC000047287625 822562413 /nfs/dbraw/zinc/56/24/13/822562413.db2.gz NOKNBRCIJMUESD-KBXCAEBGSA-N 0 0 398.463 4.105 20 5 GIBDRN COC[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000454951900 822562548 /nfs/dbraw/zinc/56/25/48/822562548.db2.gz ZYOIOXZVJMVQNR-HNNXBMFYSA-N 0 0 391.855 4.417 20 5 GIBDRN Cc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000047294551 822563003 /nfs/dbraw/zinc/56/30/03/822563003.db2.gz MFYQIRBDEVXXMU-UHFFFAOYSA-N 0 0 379.391 4.453 20 5 GIBDRN CNc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000047294561 822563067 /nfs/dbraw/zinc/56/30/67/822563067.db2.gz ARWDXHJSRLECPX-UHFFFAOYSA-N 0 0 394.406 4.186 20 5 GIBDRN Cc1cccnc1C(C)(C)CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454962858 822563822 /nfs/dbraw/zinc/56/38/22/822563822.db2.gz FZSSBPNPMKPTNB-GOSISDBHSA-N 0 0 396.491 4.165 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000047319738 822565042 /nfs/dbraw/zinc/56/50/42/822565042.db2.gz QEGYHQMLCFWRQO-UHFFFAOYSA-N 0 0 399.447 4.296 20 5 GIBDRN C[C@H](NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000454972642 822565119 /nfs/dbraw/zinc/56/51/19/822565119.db2.gz LFLLZQQSTBOVNV-BBRMVZONSA-N 0 0 395.381 4.376 20 5 GIBDRN CCOc1c(Cl)cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047346138 822569333 /nfs/dbraw/zinc/56/93/33/822569333.db2.gz IMKSGJUGSZFYOC-UHFFFAOYSA-N 0 0 393.827 4.286 20 5 GIBDRN Cc1c(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cccc1[N+](=O)[O-] ZINC000047347796 822569486 /nfs/dbraw/zinc/56/94/86/822569486.db2.gz KMPFQKWRXVXRKX-JOCHJYFZSA-N 0 0 389.411 4.024 20 5 GIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(-c3cccs3)n2)c1 ZINC000047354695 822570292 /nfs/dbraw/zinc/57/02/92/822570292.db2.gz YUVKLYZCMWLFGT-UHFFFAOYSA-N 0 0 376.415 4.145 20 5 GIBDRN O=C(Nc1cccc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1Br ZINC000184049379 822570728 /nfs/dbraw/zinc/57/07/28/822570728.db2.gz SVBJTODERDDZKL-UHFFFAOYSA-N 0 0 387.189 4.468 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3cccc4c3OCC[C@@H]4O)cs2)c1 ZINC000184061832 822572992 /nfs/dbraw/zinc/57/29/92/822572992.db2.gz JJQUWBBZTJNIGV-KRWDZBQOSA-N 0 0 383.429 4.146 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(-c3nccs3)c2)cc([N+](=O)[O-])c1 ZINC000047409080 822576423 /nfs/dbraw/zinc/57/64/23/822576423.db2.gz BNYLDMHFIZFSHK-UHFFFAOYSA-N 0 0 397.412 4.147 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ncccc1Cl ZINC000179956067 822585209 /nfs/dbraw/zinc/58/52/09/822585209.db2.gz BEARGIJGRUAQFV-UHFFFAOYSA-N 0 0 388.733 4.103 20 5 GIBDRN COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000047522566 822586920 /nfs/dbraw/zinc/58/69/20/822586920.db2.gz HLRKITRFDBPLIO-SNVBAGLBSA-N 0 0 381.335 4.088 20 5 GIBDRN CCNC(=O)N1CCc2ccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc21 ZINC000179967098 822587118 /nfs/dbraw/zinc/58/71/18/822587118.db2.gz SAWQIXDUJVMPNW-LJQANCHMSA-N 0 0 394.475 4.120 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455088785 822587634 /nfs/dbraw/zinc/58/76/34/822587634.db2.gz BBDZKOFOWYTGHA-UWJYYQICSA-N 0 0 397.475 4.089 20 5 GIBDRN Cc1cc2c(cc1NC(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)OCO2 ZINC000455096775 822588449 /nfs/dbraw/zinc/58/84/49/822588449.db2.gz JEENBWFDMLGION-OAHLLOKOSA-N 0 0 383.404 4.043 20 5 GIBDRN CCn1c(SCc2ccccc2N(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000179985476 822590970 /nfs/dbraw/zinc/59/09/70/822590970.db2.gz SBCVANKKJLWGLE-UHFFFAOYSA-N 0 0 383.477 4.232 20 5 GIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000455131365 822594128 /nfs/dbraw/zinc/59/41/28/822594128.db2.gz FLLKSAKBQGIWPM-AWEZNQCLSA-N 0 0 399.447 4.003 20 5 GIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000455131366 822594150 /nfs/dbraw/zinc/59/41/50/822594150.db2.gz FLLKSAKBQGIWPM-CQSZACIVSA-N 0 0 399.447 4.003 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000180014779 822596836 /nfs/dbraw/zinc/59/68/36/822596836.db2.gz KSNVCGXOCMORSO-CQSZACIVSA-N 0 0 394.431 4.104 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ccc(COC)o1 ZINC000184230045 822599913 /nfs/dbraw/zinc/59/99/13/822599913.db2.gz PCOYFNPZVJMSJZ-LPHOPBHVSA-N 0 0 386.448 4.267 20 5 GIBDRN Cc1c(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000047707045 822601622 /nfs/dbraw/zinc/60/16/22/822601622.db2.gz HLEXQYRINRUYOL-ZDUSSCGKSA-N 0 0 397.435 4.070 20 5 GIBDRN C[C@H](C(=O)N1Cc2cccc(Br)c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000184245953 822602100 /nfs/dbraw/zinc/60/21/00/822602100.db2.gz DYXWVIXBYZMAGD-JTQLQIEISA-N 0 0 393.212 4.142 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1Cl ZINC000180047415 822603927 /nfs/dbraw/zinc/60/39/27/822603927.db2.gz DRPLEMXPQFZQPH-UHFFFAOYSA-N 0 0 395.600 4.139 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc(COc2ccccc2)n1C ZINC000180093083 822613920 /nfs/dbraw/zinc/61/39/20/822613920.db2.gz MUZABGCRBXSXOH-CQSZACIVSA-N 0 0 384.461 4.464 20 5 GIBDRN CCN(Cc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864866 822615085 /nfs/dbraw/zinc/61/50/85/822615085.db2.gz AKSVTJUMDDIJOL-UHFFFAOYSA-N 0 0 383.326 4.389 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)o1 ZINC000184329271 822616057 /nfs/dbraw/zinc/61/60/57/822616057.db2.gz QKFDFYJAEBHXRC-LLVKDONJSA-N 0 0 384.367 4.089 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000180132687 822622559 /nfs/dbraw/zinc/62/25/59/822622559.db2.gz NSDVHOWEWRWWGY-LBPRGKRZSA-N 0 0 384.461 4.463 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(COc3cc(Br)ccc3F)o2)cc1 ZINC000180182943 822634091 /nfs/dbraw/zinc/63/40/91/822634091.db2.gz BXMRMMWEJSXFKA-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN Cc1nc([C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 ZINC000180193807 822636596 /nfs/dbraw/zinc/63/65/96/822636596.db2.gz ZPWPLEHFLREAJB-JXTAAOLFSA-N 0 0 384.823 4.332 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000455352454 822638731 /nfs/dbraw/zinc/63/87/31/822638731.db2.gz BUNOHGWBJOMVKT-UHFFFAOYSA-N 0 0 397.431 4.094 20 5 GIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184461315 822639650 /nfs/dbraw/zinc/63/96/50/822639650.db2.gz SNNJMFYMDPKDTB-NWDGAFQWSA-N 0 0 376.482 4.027 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000180211204 822640217 /nfs/dbraw/zinc/64/02/17/822640217.db2.gz SOCFUBLGXZUBPP-SANMLTNESA-N 0 0 392.502 4.226 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1C ZINC000180211334 822640244 /nfs/dbraw/zinc/64/02/44/822640244.db2.gz PPPWHUHOUJUFSU-UHFFFAOYSA-N 0 0 390.248 4.023 20 5 GIBDRN Cc1sc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000180244850 822647308 /nfs/dbraw/zinc/64/73/08/822647308.db2.gz KUCZDZKXAZVWQC-DOMZBBRYSA-N 0 0 384.816 4.017 20 5 GIBDRN CO[C@H](C)C(=O)Nc1cccc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000180263263 822650777 /nfs/dbraw/zinc/65/07/77/822650777.db2.gz CEYSVLNBQGSIKR-AUUYWEPGSA-N 0 0 383.448 4.001 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1 ZINC000048316608 822653285 /nfs/dbraw/zinc/65/32/85/822653285.db2.gz VWDGDXPFVOOUTD-QGZVFWFLSA-N 0 0 395.415 4.071 20 5 GIBDRN CCOc1ccc(C(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000048327390 822653889 /nfs/dbraw/zinc/65/38/89/822653889.db2.gz ROUUHSVLVGQIRE-UHFFFAOYSA-N 0 0 399.266 4.090 20 5 GIBDRN COc1cccc([C@@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180284806 822655318 /nfs/dbraw/zinc/65/53/18/822655318.db2.gz GGRFQZCCJZGQJF-CYBMUJFWSA-N 0 0 397.456 4.493 20 5 GIBDRN COCCC1(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCCC1 ZINC000180287427 822656094 /nfs/dbraw/zinc/65/60/94/822656094.db2.gz PZEDZVMCYXDZIY-UHFFFAOYSA-N 0 0 389.477 4.278 20 5 GIBDRN Cc1cccc(O[C@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180288251 822656156 /nfs/dbraw/zinc/65/61/56/822656156.db2.gz VVLYDLOIZYIOJT-CQSZACIVSA-N 0 0 397.456 4.457 20 5 GIBDRN CCOc1ccccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180291789 822657305 /nfs/dbraw/zinc/65/73/05/822657305.db2.gz XXOMKXBLVPNZLL-UHFFFAOYSA-N 0 0 383.429 4.394 20 5 GIBDRN CN(C(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180292173 822657306 /nfs/dbraw/zinc/65/73/06/822657306.db2.gz GPCAZDCFGMSBSU-UHFFFAOYSA-N 0 0 379.441 4.484 20 5 GIBDRN CC(C)(C)c1csc(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000184585859 822661788 /nfs/dbraw/zinc/66/17/88/822661788.db2.gz SEBWFMDUXDYNLX-UHFFFAOYSA-N 0 0 396.900 4.044 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000184640395 822669756 /nfs/dbraw/zinc/66/97/56/822669756.db2.gz CIKODLPTJOUWBU-UHFFFAOYSA-N 0 0 381.436 4.155 20 5 GIBDRN Cc1ccccc1CNc1ccccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180389065 822674282 /nfs/dbraw/zinc/67/42/82/822674282.db2.gz KXVXWZMCWJSPMN-UHFFFAOYSA-N 0 0 376.416 4.350 20 5 GIBDRN COC(=O)c1ccc(-c2nc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000180399358 822675532 /nfs/dbraw/zinc/67/55/32/822675532.db2.gz ICCNWBHMAWCHAC-CYBMUJFWSA-N 0 0 397.456 4.356 20 5 GIBDRN 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20 5 GIBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000175774297 823037070 /nfs/dbraw/zinc/03/70/70/823037070.db2.gz QMIRQVXSRUVTGX-SECBINFHSA-N 0 0 398.282 4.264 20 5 GIBDRN Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000570472021 823042478 /nfs/dbraw/zinc/04/24/78/823042478.db2.gz ATYRLJIXWQETHT-UHFFFAOYSA-N 0 0 378.432 4.062 20 5 GIBDRN CSc1ccc([C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000570479354 823043550 /nfs/dbraw/zinc/04/35/50/823043550.db2.gz DSWVJEDPUPJKAU-QGZVFWFLSA-N 0 0 393.896 4.003 20 5 GIBDRN CCOc1cc(C(=O)NC2(C(C)(C)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000411078645 823542035 /nfs/dbraw/zinc/54/20/35/823542035.db2.gz YJBRSNWNRICONB-UHFFFAOYSA-N 0 0 398.459 4.242 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(F)c(C)c32)cc1OC ZINC000411088873 823543891 /nfs/dbraw/zinc/54/38/91/823543891.db2.gz VORGJUZYJHNRCG-UHFFFAOYSA-N 0 0 388.395 4.043 20 5 GIBDRN COc1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F 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GKTWYSFKYSDIHO-VQTJNVASSA-N 0 0 387.439 4.496 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC000123998044 823558791 /nfs/dbraw/zinc/55/87/91/823558791.db2.gz CQDGUVAFSVRUIE-SECBINFHSA-N 0 0 399.191 4.435 20 5 GIBDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411226160 823558826 /nfs/dbraw/zinc/55/88/26/823558826.db2.gz HVAQEEQDECBBQZ-GOSISDBHSA-N 0 0 383.448 4.054 20 5 GIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(Nc3ccccc3)n2)c1 ZINC000060805913 823559011 /nfs/dbraw/zinc/55/90/11/823559011.db2.gz VKEMLGPVAQPOGZ-UHFFFAOYSA-N 0 0 385.401 4.161 20 5 GIBDRN Cc1ccccc1NC(=O)Cc1nc(COc2cccc([N+](=O)[O-])c2C)cs1 ZINC000060807309 823559021 /nfs/dbraw/zinc/55/90/21/823559021.db2.gz RPJSAABDLCSESK-UHFFFAOYSA-N 0 0 397.456 4.428 20 5 GIBDRN Cc1cc(NC(=O)c2ccc3nc(C)ccc3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124015562 823560162 /nfs/dbraw/zinc/56/01/62/823560162.db2.gz YPOVLJZVNYCGJS-UHFFFAOYSA-N 0 0 387.399 4.198 20 5 GIBDRN Cc1cc(C)c(Br)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000461020889 823560284 /nfs/dbraw/zinc/56/02/84/823560284.db2.gz GIRBGVLEJQPXAU-UHFFFAOYSA-N 0 0 375.222 4.177 20 5 GIBDRN O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000190322465 823562613 /nfs/dbraw/zinc/56/26/13/823562613.db2.gz KENRALWJGIWNTG-CQSZACIVSA-N 0 0 380.322 4.127 20 5 GIBDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)(C)C ZINC000411292105 823562638 /nfs/dbraw/zinc/56/26/38/823562638.db2.gz NXURHNRVDUICQI-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000190379931 823567668 /nfs/dbraw/zinc/56/76/68/823567668.db2.gz XDOCCXCKMUJBSJ-HNNXBMFYSA-N 0 0 387.358 4.037 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000124119815 823569321 /nfs/dbraw/zinc/56/93/21/823569321.db2.gz MFUHVQQMTBEZIG-UHFFFAOYSA-N 0 0 396.447 4.170 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncon1 ZINC000124129964 823570278 /nfs/dbraw/zinc/57/02/78/823570278.db2.gz PPVCTDKEOSCMAG-KRWDZBQOSA-N 0 0 393.403 4.089 20 5 GIBDRN CCSCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000411428410 823573134 /nfs/dbraw/zinc/57/31/34/823573134.db2.gz VNUVFRFRUSATQO-UHFFFAOYSA-N 0 0 387.461 4.042 20 5 GIBDRN CN(Cc1ccsc1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000061083731 823577653 /nfs/dbraw/zinc/57/76/53/823577653.db2.gz ZHGAENGWANGMLX-UHFFFAOYSA-N 0 0 390.408 4.426 20 5 GIBDRN CCc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000061087016 823578011 /nfs/dbraw/zinc/57/80/11/823578011.db2.gz ZORUEXAORCYSJS-FQEVSTJZSA-N 0 0 386.448 4.302 20 5 GIBDRN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1c[nH]c2ccccc12 ZINC000190475384 823579279 /nfs/dbraw/zinc/57/92/79/823579279.db2.gz OTSRVUXOPIQNTJ-UHFFFAOYSA-N 0 0 386.839 4.190 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000124247028 823580680 /nfs/dbraw/zinc/58/06/80/823580680.db2.gz YKIXBIWZUUIKAV-UHFFFAOYSA-N 0 0 391.427 4.492 20 5 GIBDRN COc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000061159976 823581227 /nfs/dbraw/zinc/58/12/27/823581227.db2.gz NRIMVSQEXGFPAE-UHFFFAOYSA-N 0 0 380.347 4.166 20 5 GIBDRN CC(C)Oc1cc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000411499811 823581691 /nfs/dbraw/zinc/58/16/91/823581691.db2.gz QUUNRXKDIMXZHA-UHFFFAOYSA-N 0 0 399.447 4.163 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1F ZINC000411500450 823581888 /nfs/dbraw/zinc/58/18/88/823581888.db2.gz SWALLZQFCHLRQQ-OAHLLOKOSA-N 0 0 392.814 4.302 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000061234950 823586325 /nfs/dbraw/zinc/58/63/25/823586325.db2.gz WWNLTDFLFWBULL-SSVWKNEZSA-N 0 0 376.416 4.156 20 5 GIBDRN Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000124337910 823588423 /nfs/dbraw/zinc/58/84/23/823588423.db2.gz HXSOVIPYWSXHGJ-UHFFFAOYSA-N 0 0 392.415 4.411 20 5 GIBDRN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000124347615 823589082 /nfs/dbraw/zinc/58/90/82/823589082.db2.gz HKVFIDXEDKFCLK-JTQLQIEISA-N 0 0 386.301 4.166 20 5 GIBDRN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)n[nH]1 ZINC000124353696 823589600 /nfs/dbraw/zinc/58/96/00/823589600.db2.gz AGZGDQAOTRWFFS-UHFFFAOYSA-N 0 0 392.202 4.247 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c(Cl)c1 ZINC000124353503 823589694 /nfs/dbraw/zinc/58/96/94/823589694.db2.gz CGMHQURQTOLMJM-LBPRGKRZSA-N 0 0 376.796 4.084 20 5 GIBDRN NC(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1F ZINC000461206074 823598395 /nfs/dbraw/zinc/59/83/95/823598395.db2.gz FCPWWEBNEPZHBR-UHFFFAOYSA-N 0 0 399.353 4.376 20 5 GIBDRN Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1OCC(F)F ZINC000124473220 823599619 /nfs/dbraw/zinc/59/96/19/823599619.db2.gz OFYATBWQTXTIIJ-UHFFFAOYSA-N 0 0 391.374 4.137 20 5 GIBDRN CC1(C)CCCc2sc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)nc21 ZINC000461214391 823599884 /nfs/dbraw/zinc/59/98/84/823599884.db2.gz GSGYQRSNAUYLJX-UHFFFAOYSA-N 0 0 397.460 4.103 20 5 GIBDRN CSc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000190750263 823604980 /nfs/dbraw/zinc/60/49/80/823604980.db2.gz UFAARLQZZQKVRM-GFCCVEGCSA-N 0 0 376.400 4.367 20 5 GIBDRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc(F)c([N+](=O)[O-])cc1F ZINC000124547589 823605540 /nfs/dbraw/zinc/60/55/40/823605540.db2.gz UOCIUQRNQNCMOS-CQSZACIVSA-N 0 0 382.750 4.170 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1c[nH]cc1-c1ccc(Cl)s1 ZINC000461262176 823607771 /nfs/dbraw/zinc/60/77/71/823607771.db2.gz IANITNROBXKCBN-UHFFFAOYSA-N 0 0 375.837 4.277 20 5 GIBDRN Cc1c(NC(=O)Cc2c[nH]c3cccc(Br)c23)cccc1[N+](=O)[O-] ZINC000124585345 823608578 /nfs/dbraw/zinc/60/85/78/823608578.db2.gz BAPNXAHTKDIEOB-UHFFFAOYSA-N 0 0 388.221 4.328 20 5 GIBDRN O=C(CCCc1ccc(Br)s1)NCCc1ccccc1[N+](=O)[O-] ZINC000461268046 823609215 /nfs/dbraw/zinc/60/92/15/823609215.db2.gz UGJITVLMHYIKQF-UHFFFAOYSA-N 0 0 397.294 4.100 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124604112 823610482 /nfs/dbraw/zinc/61/04/82/823610482.db2.gz CHIUANKEIJMFEO-UHFFFAOYSA-N 0 0 392.202 4.043 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000124628737 823612505 /nfs/dbraw/zinc/61/25/05/823612505.db2.gz BOTUIZCEOXETQW-MRXNPFEDSA-N 0 0 391.427 4.368 20 5 GIBDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000411888592 823613195 /nfs/dbraw/zinc/61/31/95/823613195.db2.gz WCFAJDPJZVZZPL-JKSUJKDBSA-N 0 0 394.349 4.042 20 5 GIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000461298144 823613329 /nfs/dbraw/zinc/61/33/29/823613329.db2.gz WYNAAWHBMUBJSQ-OAHLLOKOSA-N 0 0 385.489 4.058 20 5 GIBDRN C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000124643521 823613640 /nfs/dbraw/zinc/61/36/40/823613640.db2.gz CSDMTZKEJARWDQ-AWEZNQCLSA-N 0 0 392.415 4.079 20 5 GIBDRN COc1cc(C(C)=O)ccc1OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124648576 823614063 /nfs/dbraw/zinc/61/40/63/823614063.db2.gz RNOQBWZHRHYMLO-UHFFFAOYSA-N 0 0 383.278 4.044 20 5 GIBDRN CCCN1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)c2C1 ZINC000411936837 823615218 /nfs/dbraw/zinc/61/52/18/823615218.db2.gz FEMJIQNAQWCSLG-UHFFFAOYSA-N 0 0 383.448 4.360 20 5 GIBDRN CCC1(O)CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000461325221 823617885 /nfs/dbraw/zinc/61/78/85/823617885.db2.gz LUTTUJSSYDVHBL-UHFFFAOYSA-N 0 0 380.510 4.110 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000124698553 823618566 /nfs/dbraw/zinc/61/85/66/823618566.db2.gz OUZVFSWONNYFPQ-STQMWFEESA-N 0 0 380.322 4.364 20 5 GIBDRN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000124699314 823618606 /nfs/dbraw/zinc/61/86/06/823618606.db2.gz CSSROEUCHAPULJ-UONOGXRCSA-N 0 0 380.322 4.364 20 5 GIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124715192 823620381 /nfs/dbraw/zinc/62/03/81/823620381.db2.gz NFMGAMUABYLCOV-OAHLLOKOSA-N 0 0 385.807 4.023 20 5 GIBDRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000124791162 823626487 /nfs/dbraw/zinc/62/64/87/823626487.db2.gz YMYCWZDXRBNVAO-UHFFFAOYSA-N 0 0 377.404 4.181 20 5 GIBDRN O=C(CCCc1ccc2ccccc2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461387530 823627686 /nfs/dbraw/zinc/62/76/86/823627686.db2.gz NQTGIWLVFDDIJS-UHFFFAOYSA-N 0 0 390.439 4.492 20 5 GIBDRN O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000412126927 823628322 /nfs/dbraw/zinc/62/83/22/823628322.db2.gz PVSKMRQUZQXXJC-NRFANRHFSA-N 0 0 382.460 4.323 20 5 GIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412128538 823628347 /nfs/dbraw/zinc/62/83/47/823628347.db2.gz NSEDLZAVRIHHIQ-YJQAKTFBSA-N 0 0 388.851 4.244 20 5 GIBDRN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461393993 823628790 /nfs/dbraw/zinc/62/87/90/823628790.db2.gz DGTDUECOSGJHGQ-PMACEKPBSA-N 0 0 380.444 4.243 20 5 GIBDRN Cc1ccnc(Oc2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000124828472 823629407 /nfs/dbraw/zinc/62/94/07/823629407.db2.gz OAPDMOVGHDDYNZ-CQSZACIVSA-N 0 0 393.403 4.368 20 5 GIBDRN O=C(CCSc1ccc(Cl)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461401762 823629976 /nfs/dbraw/zinc/62/99/76/823629976.db2.gz UXFGKYBDGGGFMW-UHFFFAOYSA-N 0 0 392.864 4.152 20 5 GIBDRN O=C(CCc1cc(Cl)cc(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461403098 823630024 /nfs/dbraw/zinc/63/00/24/823630024.db2.gz QZMOGTRGZXRWEV-UHFFFAOYSA-N 0 0 395.242 4.255 20 5 GIBDRN CC(C)(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1F ZINC000461407994 823630743 /nfs/dbraw/zinc/63/07/43/823630743.db2.gz NAFPRTGXZMGJSC-UHFFFAOYSA-N 0 0 392.814 4.086 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412150159 823630788 /nfs/dbraw/zinc/63/07/88/823630788.db2.gz RPYYQWHELJDDGG-SFHVURJKSA-N 0 0 398.459 4.061 20 5 GIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190965843 823631611 /nfs/dbraw/zinc/63/16/11/823631611.db2.gz AHKNSTJPEMUAKZ-CQSZACIVSA-N 0 0 386.452 4.129 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412169597 823632294 /nfs/dbraw/zinc/63/22/94/823632294.db2.gz ZQRNVCUHEBDCMG-VXSCBNMQSA-N 0 0 394.471 4.291 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000412172495 823632620 /nfs/dbraw/zinc/63/26/20/823632620.db2.gz GHRGBYCGERDBHY-UHFFFAOYSA-N 0 0 390.480 4.193 20 5 GIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000124873757 823633035 /nfs/dbraw/zinc/63/30/35/823633035.db2.gz GPZKABFMBVPTGD-OAHLLOKOSA-N 0 0 390.798 4.265 20 5 GIBDRN CCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000124884074 823633830 /nfs/dbraw/zinc/63/38/30/823633830.db2.gz CKJIKJSZOGGEOH-HUUCEWRRSA-N 0 0 388.395 4.274 20 5 GIBDRN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461425479 823633980 /nfs/dbraw/zinc/63/39/80/823633980.db2.gz XHCQBDDJLWNELY-UHFFFAOYSA-N 0 0 387.395 4.264 20 5 GIBDRN O=C(C[C@H](c1ccc(O)cc1)C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000412197101 823634781 /nfs/dbraw/zinc/63/47/81/823634781.db2.gz DYUSWRICPYPVPA-NRFANRHFSA-N 0 0 380.444 4.375 20 5 GIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000461430036 823635308 /nfs/dbraw/zinc/63/53/08/823635308.db2.gz KUGVBBMXRCSUNP-CQSZACIVSA-N 0 0 388.855 4.381 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000412202012 823635395 /nfs/dbraw/zinc/63/53/95/823635395.db2.gz DCQXPPANZCBVAX-YESZJQIVSA-N 0 0 386.835 4.032 20 5 GIBDRN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000412242879 823639202 /nfs/dbraw/zinc/63/92/02/823639202.db2.gz AIVWGMHLIXPXBP-UWHLTILDSA-N 0 0 398.434 4.216 20 5 GIBDRN O=C(Nc1ccc(-c2nccs2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000191026907 823639423 /nfs/dbraw/zinc/63/94/23/823639423.db2.gz IQLHZDCELSUHLH-UHFFFAOYSA-N 0 0 396.428 4.013 20 5 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DVPQZGFBXDJDCD-FQEVSTJZSA-N 0 0 391.431 4.091 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)n1 ZINC000191611307 823712220 /nfs/dbraw/zinc/71/22/20/823712220.db2.gz ATWFYMKIUHPKRF-UHFFFAOYSA-N 0 0 395.350 4.011 20 5 GIBDRN CCOc1cc(Br)c(F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000574373705 823712253 /nfs/dbraw/zinc/71/22/53/823712253.db2.gz BZYFLMJJQWVEFW-UHFFFAOYSA-N 0 0 397.200 4.076 20 5 GIBDRN COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc([N+](=O)[O-])c1C ZINC000191615994 823713244 /nfs/dbraw/zinc/71/32/44/823713244.db2.gz UHSHMNKCVZBCLS-UHFFFAOYSA-N 0 0 391.427 4.323 20 5 GIBDRN Cc1nc(CN2CCC(CNc3ccc([N+](=O)[O-])c4ncccc34)CC2)oc1C ZINC000413140838 823714042 /nfs/dbraw/zinc/71/40/42/823714042.db2.gz JBAKJRRRQUXTAF-UHFFFAOYSA-N 0 0 395.463 4.072 20 5 GIBDRN O=C(Nc1nnc(-c2ccccc2)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163478084 823714372 /nfs/dbraw/zinc/71/43/72/823714372.db2.gz QHWZNSDXNATNKZ-UHFFFAOYSA-N 0 0 395.444 4.310 20 5 GIBDRN CCCN(CCC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461847979 823714831 /nfs/dbraw/zinc/71/48/31/823714831.db2.gz YBWYUOOHZSAQHH-GOSISDBHSA-N 0 0 387.484 4.049 20 5 GIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccc(OC)c(OC)c1 ZINC000413144478 823715101 /nfs/dbraw/zinc/71/51/01/823715101.db2.gz MTFDGBOIGPEFLJ-UHFFFAOYSA-N 0 0 388.420 4.066 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(N2CCc3ccccc3C2)cc1 ZINC000063936958 823715651 /nfs/dbraw/zinc/71/56/51/823715651.db2.gz XAMIEZPGNJTUKX-UHFFFAOYSA-N 0 0 387.439 4.088 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2c1 ZINC000413149294 823716121 /nfs/dbraw/zinc/71/61/21/823716121.db2.gz RPYCMOQITQRRDI-UHFFFAOYSA-N 0 0 379.260 4.464 20 5 GIBDRN Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC000413150857 823716642 /nfs/dbraw/zinc/71/66/42/823716642.db2.gz FFWFOKNQMWTMGK-UHFFFAOYSA-N 0 0 380.370 4.398 20 5 GIBDRN O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000063962663 823722736 /nfs/dbraw/zinc/72/27/36/823722736.db2.gz GRSTZKNLUPMGOW-UHFFFAOYSA-N 0 0 384.373 4.242 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1SC ZINC000125841182 823725549 /nfs/dbraw/zinc/72/55/49/823725549.db2.gz ZCLKBYYPPPBZRV-OAHLLOKOSA-N 0 0 386.473 4.030 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)[C@H]1C ZINC000461864045 823726691 /nfs/dbraw/zinc/72/66/91/823726691.db2.gz WCJIIUUWBTWGJU-JTDSTZFVSA-N 0 0 399.495 4.047 20 5 GIBDRN CC(C)Oc1cc(C(=O)Nc2cccnc2N2CCCCC2)ccc1[N+](=O)[O-] ZINC000413210493 823728734 /nfs/dbraw/zinc/72/87/34/823728734.db2.gz GWKJQFJRQGGLBT-UHFFFAOYSA-N 0 0 384.436 4.020 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000413221166 823731387 /nfs/dbraw/zinc/73/13/87/823731387.db2.gz IMKVGUJZLSUMCO-KBPBESRZSA-N 0 0 389.280 4.229 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000413221172 823731624 /nfs/dbraw/zinc/73/16/24/823731624.db2.gz IMKVGUJZLSUMCO-ZIAGYGMSSA-N 0 0 389.280 4.229 20 5 GIBDRN C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000574448218 823733236 /nfs/dbraw/zinc/73/32/36/823733236.db2.gz ZHLFBMHSHCJHQL-DZGCQCFKSA-N 0 0 395.381 4.376 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2sc(Cl)cc21 ZINC000574447213 823733296 /nfs/dbraw/zinc/73/32/96/823733296.db2.gz VKEIXZQOYJUBKN-AWEZNQCLSA-N 0 0 379.869 4.306 20 5 GIBDRN CSc1cccc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000574467438 823738108 /nfs/dbraw/zinc/73/81/08/823738108.db2.gz ZKWNITBSPOJECA-SFHVURJKSA-N 0 0 378.400 4.167 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC(c3ncccc3Cl)CC2)c(C(F)(F)F)c1 ZINC000413266895 823741509 /nfs/dbraw/zinc/74/15/09/823741509.db2.gz PSWRFIXJSOGKIX-UHFFFAOYSA-N 0 0 386.761 4.441 20 5 GIBDRN O=C(OCCc1ccc([N+](=O)[O-])cc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000064085450 823743966 /nfs/dbraw/zinc/74/39/66/823743966.db2.gz KXXJDFMWIMTSDU-UHFFFAOYSA-N 0 0 389.835 4.082 20 5 GIBDRN CC(C)(C)N(Cc1ccccn1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000191713994 823744392 /nfs/dbraw/zinc/74/43/92/823744392.db2.gz YMANQCIQQPLGGX-UHFFFAOYSA-N 0 0 399.494 4.377 20 5 GIBDRN COCCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413284671 823745240 /nfs/dbraw/zinc/74/52/40/823745240.db2.gz VPVRHYOVYSAIQL-UHFFFAOYSA-N 0 0 385.342 4.036 20 5 GIBDRN CCn1cc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc21 ZINC000163802741 823750474 /nfs/dbraw/zinc/75/04/74/823750474.db2.gz MBIGMZWRJGBBFO-UHFFFAOYSA-N 0 0 377.444 4.303 20 5 GIBDRN Cc1sc(-c2ccco2)nc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163825779 823751953 /nfs/dbraw/zinc/75/19/53/823751953.db2.gz WESKZKXGZGQPPK-UHFFFAOYSA-N 0 0 383.429 4.425 20 5 GIBDRN Cc1c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cnn1-c1ccc(F)cc1 ZINC000163893921 823758169 /nfs/dbraw/zinc/75/81/69/823758169.db2.gz LJDSMCJRMRZQSX-UHFFFAOYSA-N 0 0 394.406 4.033 20 5 GIBDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163906675 823759099 /nfs/dbraw/zinc/75/90/99/823759099.db2.gz TUIWKLFDOGVBHR-UHFFFAOYSA-N 0 0 398.507 4.188 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000413382072 823764565 /nfs/dbraw/zinc/76/45/65/823764565.db2.gz VPVFTWULPAGGPV-CQSZACIVSA-N 0 0 377.242 4.106 20 5 GIBDRN CCOC(=O)c1csc([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC000461940898 823766554 /nfs/dbraw/zinc/76/65/54/823766554.db2.gz LSOPFABJFADWKL-ZDUSSCGKSA-N 0 0 379.413 4.017 20 5 GIBDRN Cc1cc(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c(F)cc1[N+](=O)[O-] ZINC000461945425 823767297 /nfs/dbraw/zinc/76/72/97/823767297.db2.gz CHPSKYCAGAGJPG-UHFFFAOYSA-N 0 0 392.390 4.384 20 5 GIBDRN Cc1cc(N2CCC(c3nncn3C(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949887 823769332 /nfs/dbraw/zinc/76/93/32/823769332.db2.gz SGUWKZMHGRBWNC-UHFFFAOYSA-N 0 0 397.401 4.478 20 5 GIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000164020855 823770642 /nfs/dbraw/zinc/77/06/42/823770642.db2.gz LIQGWRXVMBWFFL-INIZCTEOSA-N 0 0 397.475 4.020 20 5 GIBDRN Cc1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461956308 823771246 /nfs/dbraw/zinc/77/12/46/823771246.db2.gz IBNCLGOOGNEGBU-ABAIWWIYSA-N 0 0 376.400 4.389 20 5 GIBDRN COc1ccc(CCNc2cc(OC)c([N+](=O)[O-])cc2F)c(Cl)c1OC ZINC000574586513 823772813 /nfs/dbraw/zinc/77/28/13/823772813.db2.gz DSYMSZKCWKYNLS-UHFFFAOYSA-N 0 0 384.791 4.068 20 5 GIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000191805996 823775240 /nfs/dbraw/zinc/77/52/40/823775240.db2.gz IGEQHKNLYTVJKF-GFCCVEGCSA-N 0 0 378.812 4.223 20 5 GIBDRN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461968877 823776194 /nfs/dbraw/zinc/77/61/94/823776194.db2.gz UBJVWKQAVKJZEE-IGCXYCKISA-N 0 0 388.386 4.085 20 5 GIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000191817696 823780686 /nfs/dbraw/zinc/78/06/86/823780686.db2.gz OOUKJNDFDCVKNX-NSHDSACASA-N 0 0 378.812 4.223 20 5 GIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000191818741 823781118 /nfs/dbraw/zinc/78/11/18/823781118.db2.gz ZTVFMIUPJIOBDU-SNVBAGLBSA-N 0 0 382.775 4.053 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Cc2ccccc2)C1 ZINC000126080222 823782304 /nfs/dbraw/zinc/78/23/04/823782304.db2.gz CQNGKNXEMUZWIF-CQSZACIVSA-N 0 0 389.249 4.062 20 5 GIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000191824740 823785068 /nfs/dbraw/zinc/78/50/68/823785068.db2.gz QMOVHTDWABIXFA-LBPRGKRZSA-N 0 0 378.812 4.223 20 5 GIBDRN CCOc1cc(NCc2cc(Cl)cc(S(=O)(=O)CC)c2)ccc1[N+](=O)[O-] ZINC000413486192 823786060 /nfs/dbraw/zinc/78/60/60/823786060.db2.gz IXQFADMXYGMZAH-UHFFFAOYSA-N 0 0 398.868 4.053 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](Cc2ccccc2)C1 ZINC000126099684 823787679 /nfs/dbraw/zinc/78/76/79/823787679.db2.gz UOJRFAHLRUBGTD-MRXNPFEDSA-N 0 0 393.468 4.423 20 5 GIBDRN Cc1ccc(CNc2cccc(C(=O)N3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000126100355 823787689 /nfs/dbraw/zinc/78/76/89/823787689.db2.gz RXXLJNOCIMMKDB-UHFFFAOYSA-N 0 0 385.489 4.013 20 5 GIBDRN COCc1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000164250544 823789706 /nfs/dbraw/zinc/78/97/06/823789706.db2.gz DHQGXNRTMZYRHS-UHFFFAOYSA-N 0 0 379.210 4.064 20 5 GIBDRN CSCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164259985 823790741 /nfs/dbraw/zinc/79/07/41/823790741.db2.gz KHJOCHYZVSDRET-HOCLYGCPSA-N 0 0 385.493 4.091 20 5 GIBDRN CCCc1ccc([C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2cccs2)cc1 ZINC000064335842 823795749 /nfs/dbraw/zinc/79/57/49/823795749.db2.gz GFOJYIUWIBLVHE-INIZCTEOSA-N 0 0 384.461 4.160 20 5 GIBDRN CC(C)n1ncc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1-c1ccccc1 ZINC000574699268 823803286 /nfs/dbraw/zinc/80/32/86/823803286.db2.gz HXLCBIPTDOUHCW-UHFFFAOYSA-N 0 0 390.443 4.238 20 5 GIBDRN Cc1cc(F)cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000164846854 823822666 /nfs/dbraw/zinc/82/26/66/823822666.db2.gz FGCJGWMPRWVHND-CYBMUJFWSA-N 0 0 384.411 4.464 20 5 GIBDRN CCCCC1CCC(c2cc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])n[nH]2)CC1 ZINC000191957393 823824198 /nfs/dbraw/zinc/82/41/98/823824198.db2.gz NDVREAYANMNVJE-UHFFFAOYSA-N 0 0 388.472 4.251 20 5 GIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000462096058 823826429 /nfs/dbraw/zinc/82/64/29/823826429.db2.gz GUXPYLLWHJKPDR-SECBINFHSA-N 0 0 394.396 4.023 20 5 GIBDRN CC[C@H](Cc1ccccc1)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000462120480 823835282 /nfs/dbraw/zinc/83/52/82/823835282.db2.gz KJFYXAMYIWWIHF-GOSISDBHSA-N 0 0 392.459 4.017 20 5 GIBDRN CCOc1cc(NC(=O)NC[C@H](C)CC(F)(F)F)c([N+](=O)[O-])cc1OCC ZINC000413769591 823838368 /nfs/dbraw/zinc/83/83/68/823838368.db2.gz KOTUKMTWHYQEME-SNVBAGLBSA-N 0 0 393.362 4.102 20 5 GIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000192044903 823842482 /nfs/dbraw/zinc/84/24/82/823842482.db2.gz JPDUKMMDBHRMPW-UHFFFAOYSA-N 0 0 376.825 4.365 20 5 GIBDRN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000574849744 823842405 /nfs/dbraw/zinc/84/24/05/823842405.db2.gz DZOOFSJKENTMSA-FQEVSTJZSA-N 0 0 392.411 4.165 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000126340513 823843831 /nfs/dbraw/zinc/84/38/31/823843831.db2.gz SYFUCDWRYSNYGX-MSOLQXFVSA-N 0 0 390.505 4.217 20 5 GIBDRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1-c1ccccn1 ZINC000165477031 823850357 /nfs/dbraw/zinc/85/03/57/823850357.db2.gz GJVAUWBUEHKQJW-UHFFFAOYSA-N 0 0 385.326 4.196 20 5 GIBDRN CN(Cc1ccc(Cl)nc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126416682 823861874 /nfs/dbraw/zinc/86/18/74/823861874.db2.gz MULAXMVFMWASEK-UHFFFAOYSA-N 0 0 388.836 4.039 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)n1 ZINC000126432297 823865557 /nfs/dbraw/zinc/86/55/57/823865557.db2.gz CBQHECKLCYDDLZ-HHHXNRCGSA-N 0 0 381.457 4.491 20 5 GIBDRN CCCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064723174 823871652 /nfs/dbraw/zinc/87/16/52/823871652.db2.gz VOJQXHCCYQYSLD-GFCCVEGCSA-N 0 0 378.812 4.443 20 5 GIBDRN O=C(NCc1ccccc1F)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000462220690 823879009 /nfs/dbraw/zinc/87/90/09/823879009.db2.gz SXSHKEPAFOPIDR-UHFFFAOYSA-N 0 0 379.391 4.276 20 5 GIBDRN CNC(=O)c1cc(Cl)ccc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000462224274 823880997 /nfs/dbraw/zinc/88/09/97/823880997.db2.gz SBFILMXQCBAKOM-UHFFFAOYSA-N 0 0 377.828 4.007 20 5 GIBDRN Cc1nn(-c2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1Cl ZINC000064777002 823884021 /nfs/dbraw/zinc/88/40/21/823884021.db2.gz NATRJQLOCHXGCU-UHFFFAOYSA-N 0 0 398.850 4.023 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2sccc2[C@H]1C ZINC000064783148 823885828 /nfs/dbraw/zinc/88/58/28/823885828.db2.gz BTCAMOXSXMBJEX-MNOVXSKESA-N 0 0 380.853 4.223 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1OC ZINC000064809528 823889861 /nfs/dbraw/zinc/88/98/61/823889861.db2.gz ZHSCVHJRXNVFIN-SFHVURJKSA-N 0 0 396.443 4.294 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N([C@H](C)c1ccco1)C1CC1 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390.443 4.232 20 5 GIBDRN Cc1cccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000056002076 823077731 /nfs/dbraw/zinc/07/77/31/823077731.db2.gz OMXJLIRJEUEASV-FQEVSTJZSA-N 0 0 376.416 4.066 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3Cc4ccccc4C3)n2Cc2ccccc2)cc1 ZINC000570740220 823078979 /nfs/dbraw/zinc/07/89/79/823078979.db2.gz ICNLRXZVZGGLAL-UHFFFAOYSA-N 0 0 397.438 4.422 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCCC(F)(F)C1 ZINC000570751726 823080857 /nfs/dbraw/zinc/08/08/57/823080857.db2.gz WCWJICDVUKNVJZ-CYBMUJFWSA-N 0 0 394.422 4.133 20 5 GIBDRN Cc1nc(C(C)(C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000120889922 823082874 /nfs/dbraw/zinc/08/28/74/823082874.db2.gz IOCZINQYKWGUSM-UHFFFAOYSA-N 0 0 390.509 4.225 20 5 GIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccncc1 ZINC000120912937 823085812 /nfs/dbraw/zinc/08/58/12/823085812.db2.gz TYQXHAVPXOGFFF-IBGZPJMESA-N 0 0 380.448 4.322 20 5 GIBDRN Cc1c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000056132072 823086364 /nfs/dbraw/zinc/08/63/64/823086364.db2.gz XHGRXTKHLIYMCR-LJQANCHMSA-N 0 0 378.432 4.157 20 5 GIBDRN O=C(c1ccn(-c2ccccc2Cl)n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120954713 823092201 /nfs/dbraw/zinc/09/22/01/823092201.db2.gz NHMVGGIGUVSRPX-UHFFFAOYSA-N 0 0 382.807 4.027 20 5 GIBDRN COc1cc(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000175980196 823088019 /nfs/dbraw/zinc/08/80/19/823088019.db2.gz STPGKRDSIQPAPY-LJQANCHMSA-N 0 0 386.448 4.438 20 5 GIBDRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2=O)c(C)c1 ZINC000175986682 823089061 /nfs/dbraw/zinc/08/90/61/823089061.db2.gz MXLOEDVTGBWFOK-QGZVFWFLSA-N 0 0 395.459 4.129 20 5 GIBDRN C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120984697 823097647 /nfs/dbraw/zinc/09/76/47/823097647.db2.gz KGRHPTQZOSWBTB-RYUDHWBXSA-N 0 0 381.354 4.291 20 5 GIBDRN COc1cc(C(=O)Nc2cc(C(F)F)ccc2Cl)cc([N+](=O)[O-])c1OC ZINC000570855188 823096413 /nfs/dbraw/zinc/09/64/13/823096413.db2.gz YYQUDAMOTSDCSM-UHFFFAOYSA-N 0 0 386.738 4.455 20 5 GIBDRN C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056187748 823099237 /nfs/dbraw/zinc/09/92/37/823099237.db2.gz VSRLYIKCRQDFGL-HNNXBMFYSA-N 0 0 392.415 4.008 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000056193737 823100132 /nfs/dbraw/zinc/10/01/32/823100132.db2.gz RYPCPCZYBHIZOZ-NVXWUHKLSA-N 0 0 378.494 4.127 20 5 GIBDRN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-c2cccnc2)cc1 ZINC000570882128 823101470 /nfs/dbraw/zinc/10/14/70/823101470.db2.gz LJFHEMCTYVTNRF-ZDUSSCGKSA-N 0 0 397.381 4.355 20 5 GIBDRN COC(=O)c1c(C)c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000570893705 823103689 /nfs/dbraw/zinc/10/36/89/823103689.db2.gz VAPSCIJZXNAXLA-UHFFFAOYSA-N 0 0 385.351 4.096 20 5 GIBDRN O=C(NC[C@H]1CSc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000458900724 823103788 /nfs/dbraw/zinc/10/37/88/823103788.db2.gz AGFSPCAIBONUOY-HNNXBMFYSA-N 0 0 383.473 4.158 20 5 GIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121029335 823105533 /nfs/dbraw/zinc/10/55/33/823105533.db2.gz SGEUFFQEQGHZTR-UHFFFAOYSA-N 0 0 385.401 4.087 20 5 GIBDRN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121033157 823106323 /nfs/dbraw/zinc/10/63/23/823106323.db2.gz DNWDXMCGDZWFBQ-UHFFFAOYSA-N 0 0 383.429 4.142 20 5 GIBDRN C[C@@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176060282 823109384 /nfs/dbraw/zinc/10/93/84/823109384.db2.gz FOWSFANINVMENB-GFCCVEGCSA-N 0 0 392.864 4.042 20 5 GIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCc2cc(OC(F)F)ccc21 ZINC000056237758 823109570 /nfs/dbraw/zinc/10/95/70/823109570.db2.gz VGKINNWHGVSVGG-UHFFFAOYSA-N 0 0 387.342 4.271 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCC3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000570961138 823112168 /nfs/dbraw/zinc/11/21/68/823112168.db2.gz LVFXUBMYVJWKJV-GOSISDBHSA-N 0 0 384.480 4.013 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000570984164 823115783 /nfs/dbraw/zinc/11/57/83/823115783.db2.gz CHNLYNDHAIDHTL-GOSISDBHSA-N 0 0 393.487 4.170 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCCc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000176089297 823117145 /nfs/dbraw/zinc/11/71/45/823117145.db2.gz QPKDSBXPWZXWJG-ZDUSSCGKSA-N 0 0 376.482 4.086 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCCc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000176089279 823117218 /nfs/dbraw/zinc/11/72/18/823117218.db2.gz QPKDSBXPWZXWJG-CYBMUJFWSA-N 0 0 376.482 4.086 20 5 GIBDRN Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000056274722 823118580 /nfs/dbraw/zinc/11/85/80/823118580.db2.gz XDXOBVLAJYXCCC-OAHLLOKOSA-N 0 0 390.823 4.367 20 5 GIBDRN COc1ccc2nc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2c1 ZINC000056288181 823121808 /nfs/dbraw/zinc/12/18/08/823121808.db2.gz UMBKMRXRFYOETP-UHFFFAOYSA-N 0 0 379.416 4.202 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2nccc(Br)c2C)cc1[N+](=O)[O-] ZINC000571029342 823122340 /nfs/dbraw/zinc/12/23/40/823122340.db2.gz GEGBLBPOJAHCDL-NSHDSACASA-N 0 0 393.241 4.252 20 5 GIBDRN CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000571049055 823124804 /nfs/dbraw/zinc/12/48/04/823124804.db2.gz CKFRHBJUNCICNO-GOSISDBHSA-N 0 0 397.475 4.092 20 5 GIBDRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000571056521 823126325 /nfs/dbraw/zinc/12/63/25/823126325.db2.gz AMXJPCGGZGKXPN-UONOGXRCSA-N 0 0 387.299 4.070 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000187765465 823128430 /nfs/dbraw/zinc/12/84/30/823128430.db2.gz NXROEVOJADQEHI-AWEZNQCLSA-N 0 0 386.757 4.253 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1c1nccs1 ZINC000121155495 823129143 /nfs/dbraw/zinc/12/91/43/823129143.db2.gz LTTIWNLIGQGFTI-ZDUSSCGKSA-N 0 0 396.266 4.181 20 5 GIBDRN COc1c(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)cccc1[N+](=O)[O-] ZINC000571085691 823129801 /nfs/dbraw/zinc/12/98/01/823129801.db2.gz RZAQCMHAADSLIQ-UHFFFAOYSA-N 0 0 395.293 4.143 20 5 GIBDRN CC(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000121191349 823135665 /nfs/dbraw/zinc/13/56/65/823135665.db2.gz OYILNZIUTQMTMX-UHFFFAOYSA-N 0 0 383.187 4.122 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1OC ZINC000056350934 823134548 /nfs/dbraw/zinc/13/45/48/823134548.db2.gz ZZIVUNPMNVMLPZ-OAHLLOKOSA-N 0 0 390.823 4.073 20 5 GIBDRN O=C(N[C@@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000187832401 823142227 /nfs/dbraw/zinc/14/22/27/823142227.db2.gz TVPAZHQBOOZQCX-KBXCAEBGSA-N 0 0 386.473 4.027 20 5 GIBDRN CCOc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121278557 823153618 /nfs/dbraw/zinc/15/36/18/823153618.db2.gz SDUIKDIQAVLEQC-UHFFFAOYSA-N 0 0 379.210 4.033 20 5 GIBDRN COc1ccccc1N1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000176216022 823154579 /nfs/dbraw/zinc/15/45/79/823154579.db2.gz PZKNAKQAUYDBRZ-UHFFFAOYSA-N 0 0 398.463 4.011 20 5 GIBDRN O=C(COc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1Br ZINC000121297728 823157500 /nfs/dbraw/zinc/15/75/00/823157500.db2.gz NRZDFSMEZOQELR-UHFFFAOYSA-N 0 0 385.601 4.028 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nc(-c2ccccc2F)no1 ZINC000187929892 823160031 /nfs/dbraw/zinc/16/00/31/823160031.db2.gz UXNGAXNSLFTNTH-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000121309781 823160360 /nfs/dbraw/zinc/16/03/60/823160360.db2.gz MPBSKWOJGLZVAR-UHFFFAOYSA-N 0 0 391.811 4.004 20 5 GIBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176244570 823161908 /nfs/dbraw/zinc/16/19/08/823161908.db2.gz RYRVCZKMLWKAKG-GFCCVEGCSA-N 0 0 394.880 4.415 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1cn(C)c2ccccc12 ZINC000176252872 823163439 /nfs/dbraw/zinc/16/34/39/823163439.db2.gz AYNAFNXPXNSSEQ-UHFFFAOYSA-N 0 0 385.851 4.331 20 5 GIBDRN CC(=O)c1ccc(OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000121329436 823164407 /nfs/dbraw/zinc/16/44/07/823164407.db2.gz DXAPZLIUWJNDOQ-CYBMUJFWSA-N 0 0 396.399 4.142 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176257164 823164671 /nfs/dbraw/zinc/16/46/71/823164671.db2.gz PTOFQFMPZRYGEW-ABAIWWIYSA-N 0 0 380.853 4.038 20 5 GIBDRN CCOc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000121350656 823168488 /nfs/dbraw/zinc/16/84/88/823168488.db2.gz DPWFYVICRORBCG-FQEVSTJZSA-N 0 0 395.390 4.047 20 5 GIBDRN CCn1c(SCc2cc(F)cc(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000187995637 823168927 /nfs/dbraw/zinc/16/89/27/823168927.db2.gz HLYZJIUPUMATQG-UHFFFAOYSA-N 0 0 376.388 4.444 20 5 GIBDRN CSc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1[N+](=O)[O-] ZINC000188014958 823172189 /nfs/dbraw/zinc/17/21/89/823172189.db2.gz WLDROJXDORPUPK-HNNXBMFYSA-N 0 0 393.896 4.003 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176286222 823172399 /nfs/dbraw/zinc/17/23/99/823172399.db2.gz VECVVZNULXCGSH-UHFFFAOYSA-N 0 0 397.353 4.420 20 5 GIBDRN CSc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC000188043690 823176285 /nfs/dbraw/zinc/17/62/85/823176285.db2.gz ITFFQTOVKXFTPQ-ZDUSSCGKSA-N 0 0 397.456 4.478 20 5 GIBDRN CCOc1cc(C(=O)NCc2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000121431807 823183319 /nfs/dbraw/zinc/18/33/19/823183319.db2.gz GPFFWIMACGZWID-UHFFFAOYSA-N 0 0 380.400 4.085 20 5 GIBDRN CC(C)[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2[nH]1 ZINC000056618453 823182197 /nfs/dbraw/zinc/18/21/97/823182197.db2.gz MCWJIIIIEHBDAD-KRWDZBQOSA-N 0 0 377.404 4.080 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000176340351 823186714 /nfs/dbraw/zinc/18/67/14/823186714.db2.gz LXPDVKRBFDAIDZ-IBGZPJMESA-N 0 0 388.851 4.112 20 5 GIBDRN CCc1cc(=O)c2cc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000188111526 823188055 /nfs/dbraw/zinc/18/80/55/823188055.db2.gz VEIZRUWMIWWKEU-UHFFFAOYSA-N 0 0 379.416 4.374 20 5 GIBDRN COCc1nc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cs1 ZINC000571486361 823190178 /nfs/dbraw/zinc/19/01/78/823190178.db2.gz CDDGAHXGZGYFQF-UHFFFAOYSA-N 0 0 398.488 4.255 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnc(-c3cc4c(s3)CCCC4)o1)CC2 ZINC000121470040 823190352 /nfs/dbraw/zinc/19/03/52/823190352.db2.gz WOJHQYALRTZUJM-UHFFFAOYSA-N 0 0 396.472 4.143 20 5 GIBDRN CC(C)c1nc(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000121476540 823191734 /nfs/dbraw/zinc/19/17/34/823191734.db2.gz YYOHEPRCDDHKLJ-UHFFFAOYSA-N 0 0 388.493 4.091 20 5 GIBDRN CSc1cccc(C(=O)NCCc2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000188168082 823196854 /nfs/dbraw/zinc/19/68/54/823196854.db2.gz HESXCZBZQNWVAB-UHFFFAOYSA-N 0 0 398.488 4.220 20 5 GIBDRN Cc1csc(CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000121532389 823201103 /nfs/dbraw/zinc/20/11/03/823201103.db2.gz CBLUHAQXRVARQI-UHFFFAOYSA-N 0 0 388.493 4.057 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000188174085 823197958 /nfs/dbraw/zinc/19/79/58/823197958.db2.gz TXXMLYMRNWYUBQ-MLGOLLRUSA-N 0 0 390.436 4.058 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)s2)c1 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CSc1ccccc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007147001 817772361 /nfs/dbraw/zinc/77/23/61/817772361.db2.gz FEMKCCMCXYHMKR-LLVKDONJSA-N 0 0 385.401 4.285 20 5 GIBDRN Cc1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(C)C)s1 ZINC000057401880 823291375 /nfs/dbraw/zinc/29/13/75/823291375.db2.gz AMFNJCYGQNBSOQ-UHFFFAOYSA-N 0 0 384.461 4.201 20 5 GIBDRN C[C@H](Sc1nnc2ccc(Br)cn21)c1cccc([N+](=O)[O-])c1 ZINC000572129820 823287538 /nfs/dbraw/zinc/28/75/38/823287538.db2.gz PFRSBEIIOBFJMR-VIFPVBQESA-N 0 0 379.239 4.253 20 5 GIBDRN COc1ccccc1C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000007168791 817778965 /nfs/dbraw/zinc/77/89/65/817778965.db2.gz LZTDNYRVZZVCSC-UHFFFAOYSA-N 0 0 390.464 4.070 20 5 GIBDRN CC(C)(C)C(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007171177 817779486 /nfs/dbraw/zinc/77/94/86/817779486.db2.gz PRFXFEWYSYMRME-UHFFFAOYSA-N 0 0 390.823 4.495 20 5 GIBDRN C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000007173919 817781071 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QQGUVVHSXRLLKF-LSDHHAIUSA-N 0 0 398.459 4.315 20 5 GIBDRN CC(=O)c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000007848587 817936312 /nfs/dbraw/zinc/93/63/12/817936312.db2.gz JNRUHGJCZFUEQV-UHFFFAOYSA-N 0 0 395.337 4.257 20 5 GIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000007853527 817939091 /nfs/dbraw/zinc/93/90/91/817939091.db2.gz NULAJYGCYKQEFY-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122076562 823302297 /nfs/dbraw/zinc/30/22/97/823302297.db2.gz BEUCIIDRCCATHK-UHFFFAOYSA-N 0 0 389.589 4.255 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122076750 823302618 /nfs/dbraw/zinc/30/26/18/823302618.db2.gz RJIMJKOCJDYMED-ZWOKBUDYSA-N 0 0 397.475 4.431 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007890922 817953298 /nfs/dbraw/zinc/95/32/98/817953298.db2.gz ORZITYANVDMDPU-LJQANCHMSA-N 0 0 386.404 4.080 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000572201342 823298781 /nfs/dbraw/zinc/29/87/81/823298781.db2.gz BZEXMKPUCIHULH-QGZVFWFLSA-N 0 0 382.338 4.067 20 5 GIBDRN CCc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc1-c1ccc(OC)cc1 ZINC000460154265 823299712 /nfs/dbraw/zinc/29/97/12/823299712.db2.gz BOOBGZQKZHLAFG-UHFFFAOYSA-N 0 0 397.456 4.471 20 5 GIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1cccs1 ZINC000007983328 817975701 /nfs/dbraw/zinc/97/57/01/817975701.db2.gz XRQLAHQGBRLTNE-UHFFFAOYSA-N 0 0 389.458 4.069 20 5 GIBDRN O=C(CCCOc1cccc(Br)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008079821 817996006 /nfs/dbraw/zinc/99/60/06/817996006.db2.gz BEDLHVDMTGUIAA-UHFFFAOYSA-N 0 0 397.200 4.294 20 5 GIBDRN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000008080758 817996015 /nfs/dbraw/zinc/99/60/15/817996015.db2.gz KOJAKZCNTGRSNI-UHFFFAOYSA-N 0 0 384.841 4.071 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000008120247 818003521 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GIBDRN C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011029730 818045443 /nfs/dbraw/zinc/04/54/43/818045443.db2.gz QQERGZRMZKGNOE-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccco1 ZINC000011203223 818061586 /nfs/dbraw/zinc/06/15/86/818061586.db2.gz VAXDSUORDWSTLQ-UHFFFAOYSA-N 0 0 385.763 4.346 20 5 GIBDRN C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nnc(-c2ccccc2)o1 ZINC000011227440 818063464 /nfs/dbraw/zinc/06/34/64/818063464.db2.gz IIFDOOAHFYIGLY-LBPRGKRZSA-N 0 0 394.387 4.137 20 5 GIBDRN C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409795342 823309442 /nfs/dbraw/zinc/30/94/42/823309442.db2.gz HZGMOCGNCSQUOD-LBPRGKRZSA-N 0 0 378.350 4.302 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc2ccccc2o1 ZINC000011278463 818068052 /nfs/dbraw/zinc/06/80/52/818068052.db2.gz BLNAJHMHOWWQLH-UHFFFAOYSA-N 0 0 384.391 4.039 20 5 GIBDRN CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011364265 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GIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000011770185 818118752 /nfs/dbraw/zinc/11/87/52/818118752.db2.gz FPFGHBQOSDFQDT-UHFFFAOYSA-N 0 0 394.475 4.356 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000188821374 823313259 /nfs/dbraw/zinc/31/32/59/823313259.db2.gz KSAXRBZSGMMLJL-KRWDZBQOSA-N 0 0 375.812 4.162 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011810459 818121949 /nfs/dbraw/zinc/12/19/49/818121949.db2.gz JAYNBNKBCAQAGQ-ZETCQYMHSA-N 0 0 397.174 4.198 20 5 GIBDRN C[C@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011941262 818130608 /nfs/dbraw/zinc/13/06/08/818130608.db2.gz XBCDDKXWYQFPFW-LBPRGKRZSA-N 0 0 394.416 4.079 20 5 GIBDRN COc1cc(COC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000012453962 818161088 /nfs/dbraw/zinc/16/10/88/818161088.db2.gz SAXNVWKJZNOAHT-UHFFFAOYSA-N 0 0 381.331 4.179 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000122182716 823317939 /nfs/dbraw/zinc/31/79/39/823317939.db2.gz CARUWTQRNPPZLO-NSHDSACASA-N 0 0 378.425 4.346 20 5 GIBDRN C[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012834670 818185345 /nfs/dbraw/zinc/18/53/45/818185345.db2.gz SFTGSVOJSXYHHS-NHAQELONSA-N 0 0 395.444 4.003 20 5 GIBDRN O=C(COC(=O)CCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012950576 818196309 /nfs/dbraw/zinc/19/63/09/818196309.db2.gz BTKIPWBAROAILA-UHFFFAOYSA-N 0 0 397.214 4.016 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC000460213752 823319331 /nfs/dbraw/zinc/31/93/31/823319331.db2.gz VULKPHXYHDVVPS-UHFFFAOYSA-N 0 0 383.374 4.042 20 5 GIBDRN CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000013812103 818215502 /nfs/dbraw/zinc/21/55/02/818215502.db2.gz OBVYNQJRXRRKSY-UHFFFAOYSA-N 0 0 379.825 4.234 20 5 GIBDRN Cc1cc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000013927020 818216181 /nfs/dbraw/zinc/21/61/81/818216181.db2.gz 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O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122227576 823324539 /nfs/dbraw/zinc/32/45/39/823324539.db2.gz MPOCNASXHVZWBB-YOEHRIQHSA-N 0 0 387.386 4.103 20 5 GIBDRN Cc1c(CC(=O)Nc2nc(-c3ccccc3Cl)ns2)cccc1[N+](=O)[O-] ZINC000122232588 823325351 /nfs/dbraw/zinc/32/53/51/823325351.db2.gz SBVRGXHPFGIWJQ-UHFFFAOYSA-N 0 0 388.836 4.256 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000015100719 818290785 /nfs/dbraw/zinc/29/07/85/818290785.db2.gz HLWIDAQFYNTUHS-UHFFFAOYSA-N 0 0 397.450 4.142 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1 ZINC000015123230 818292041 /nfs/dbraw/zinc/29/20/41/818292041.db2.gz CFCSWARLRNDEFK-UHFFFAOYSA-N 0 0 398.463 4.034 20 5 GIBDRN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000015128937 818293334 /nfs/dbraw/zinc/29/33/34/818293334.db2.gz PEWVOOGPOZWXJY-JTQLQIEISA-N 0 0 388.367 4.190 20 5 GIBDRN Cc1c(NCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000015319966 818312428 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CCOc1ccc(OCC)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000015593528 818343909 /nfs/dbraw/zinc/34/39/09/818343909.db2.gz AGZJLUMVHBDNSQ-UHFFFAOYSA-N 0 0 385.420 4.219 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015616765 818348601 /nfs/dbraw/zinc/34/86/01/818348601.db2.gz UPGLODNZIJLSOZ-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000460248102 823330094 /nfs/dbraw/zinc/33/00/94/823330094.db2.gz XCLSPUOTNYXOFD-JSGCOSHPSA-N 0 0 390.823 4.195 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Br)c2)cc1OC ZINC000015629027 818350617 /nfs/dbraw/zinc/35/06/17/818350617.db2.gz DHIDRGGRMSZUGV-UHFFFAOYSA-N 0 0 395.209 4.017 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000015629621 818350729 /nfs/dbraw/zinc/35/07/29/818350729.db2.gz BGRWRFDCVALWML-MRXNPFEDSA-N 0 0 389.411 4.048 20 5 GIBDRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 ZINC000015633117 818351187 /nfs/dbraw/zinc/35/11/87/818351187.db2.gz COIYHNBBIPVMJR-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000015640406 818352026 /nfs/dbraw/zinc/35/20/26/818352026.db2.gz IBFWEABSDYPQEU-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000015650757 818354831 /nfs/dbraw/zinc/35/48/31/818354831.db2.gz KCKBQJISHUDWLQ-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000015651438 818355444 /nfs/dbraw/zinc/35/54/44/818355444.db2.gz XRLCVVMKZSWBGI-GFCCVEGCSA-N 0 0 383.429 4.271 20 5 GIBDRN Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000015798274 818369021 /nfs/dbraw/zinc/36/90/21/818369021.db2.gz AVLUMMDCQWKVFV-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CCNc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000015940925 818378763 /nfs/dbraw/zinc/37/87/63/818378763.db2.gz ORERNFGQRAVHST-UHFFFAOYSA-N 0 0 376.416 4.265 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000016141938 818397259 /nfs/dbraw/zinc/39/72/59/818397259.db2.gz FBHZXONDGJQIBD-GOSISDBHSA-N 0 0 384.432 4.370 20 5 GIBDRN CCc1ccc2c(COC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000016196546 818404874 /nfs/dbraw/zinc/40/48/74/818404874.db2.gz NONJTSRGRASFPD-UHFFFAOYSA-N 0 0 399.424 4.343 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000016196587 818404892 /nfs/dbraw/zinc/40/48/92/818404892.db2.gz LMPBAQKPHZBDBW-UHFFFAOYSA-N 0 0 399.424 4.397 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC000016196973 818405485 /nfs/dbraw/zinc/40/54/85/818405485.db2.gz ODAMIYLUSOZRKR-SNVBAGLBSA-N 0 0 379.821 4.398 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000016209784 818406851 /nfs/dbraw/zinc/40/68/51/818406851.db2.gz XYMUHCVTAFTQGP-INIZCTEOSA-N 0 0 397.412 4.006 20 5 GIBDRN COCCOc1cc(C)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000122320027 823337508 /nfs/dbraw/zinc/33/75/08/823337508.db2.gz LYXKBSBCZRXUJC-UHFFFAOYSA-N 0 0 399.447 4.125 20 5 GIBDRN CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000016267883 818413827 /nfs/dbraw/zinc/41/38/27/818413827.db2.gz VUUBXXKENOAEKO-UHFFFAOYSA-N 0 0 379.463 4.259 20 5 GIBDRN CCc1cccc(CC)c1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000016312722 818421318 /nfs/dbraw/zinc/42/13/18/818421318.db2.gz PGZMKUINCMQPPG-UHFFFAOYSA-N 0 0 389.883 4.444 20 5 GIBDRN CN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000016324843 818423632 /nfs/dbraw/zinc/42/36/32/818423632.db2.gz QKOZPNVHGYABPJ-UHFFFAOYSA-N 0 0 382.441 4.361 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(Cl)c2cccnc12 ZINC000057814185 823335839 /nfs/dbraw/zinc/33/58/39/823335839.db2.gz FBYGBSUQPSGHCK-UHFFFAOYSA-N 0 0 392.802 4.068 20 5 GIBDRN O=C(CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1cccc(F)c1 ZINC000572418509 823336163 /nfs/dbraw/zinc/33/61/63/823336163.db2.gz IIRUUVIFXVPCDY-UHFFFAOYSA-N 0 0 394.362 4.005 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000409888479 823336395 /nfs/dbraw/zinc/33/63/95/823336395.db2.gz SPLBJYQRJSURSC-KBPBESRZSA-N 0 0 394.258 4.233 20 5 GIBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)c1ccccc1 ZINC000016458642 818445104 /nfs/dbraw/zinc/44/51/04/818445104.db2.gz CXYPOBNAZJIYDF-UHFFFAOYSA-N 0 0 376.412 4.227 20 5 GIBDRN C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016537733 818452598 /nfs/dbraw/zinc/45/25/98/818452598.db2.gz QIRMCASQTVVLCY-CYBMUJFWSA-N 0 0 380.356 4.039 20 5 GIBDRN C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000016584325 818455887 /nfs/dbraw/zinc/45/58/87/818455887.db2.gz PALGNIXSAVDTNA-LLVKDONJSA-N 0 0 386.458 4.233 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cccc(Cl)c1Cl ZINC000016590300 818456875 /nfs/dbraw/zinc/45/68/75/818456875.db2.gz NTCNSOVYDWNSGT-UHFFFAOYSA-N 0 0 382.247 4.281 20 5 GIBDRN O=C(c1cc(Br)ccc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835286 823339253 /nfs/dbraw/zinc/33/92/53/823339253.db2.gz KGPVSGMMCKRADO-UHFFFAOYSA-N 0 0 381.613 4.214 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016778979 818477333 /nfs/dbraw/zinc/47/73/33/818477333.db2.gz MNIDOTXLRLJHKB-QGZVFWFLSA-N 0 0 399.516 4.409 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000176973924 823339543 /nfs/dbraw/zinc/33/95/43/823339543.db2.gz KSCVDZXQTAOCHO-AWEZNQCLSA-N 0 0 379.420 4.186 20 5 GIBDRN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057836402 823339620 /nfs/dbraw/zinc/33/96/20/823339620.db2.gz STPOUBXBNDPDOA-UHFFFAOYSA-N 0 0 378.409 4.419 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000409902701 823340268 /nfs/dbraw/zinc/34/02/68/823340268.db2.gz OBJUIWUZSLEXEN-UHFFFAOYSA-N 0 0 396.256 4.055 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000176976898 823340270 /nfs/dbraw/zinc/34/02/70/823340270.db2.gz RDVQJWCVYJJCTR-ZDUSSCGKSA-N 0 0 382.420 4.061 20 5 GIBDRN Cc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000016969456 818494694 /nfs/dbraw/zinc/49/46/94/818494694.db2.gz KOMPIPIJNYSFNN-UHFFFAOYSA-N 0 0 388.851 4.035 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 ZINC000016987439 818496457 /nfs/dbraw/zinc/49/64/57/818496457.db2.gz LRIODRPOCMYGJI-VIFPVBQESA-N 0 0 399.628 4.417 20 5 GIBDRN O=C(NC1CC1)c1cc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000017274238 818504298 /nfs/dbraw/zinc/50/42/98/818504298.db2.gz GVTJUZZHPUZKIT-UHFFFAOYSA-N 0 0 379.441 4.328 20 5 GIBDRN Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1 ZINC000017410507 818514512 /nfs/dbraw/zinc/51/45/12/818514512.db2.gz KNCWJLDNMZXWOR-UHFFFAOYSA-N 0 0 383.326 4.068 20 5 GIBDRN CC(C)n1ncc2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cnc21 ZINC000017573587 818520078 /nfs/dbraw/zinc/52/00/78/818520078.db2.gz ZAHAZADNHCHXPE-LBPRGKRZSA-N 0 0 385.449 4.040 20 5 GIBDRN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000017589828 818520631 /nfs/dbraw/zinc/52/06/31/818520631.db2.gz NHXSWBMHKGWCCY-INIZCTEOSA-N 0 0 387.783 4.091 20 5 GIBDRN CCCCN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000017593724 818520971 /nfs/dbraw/zinc/52/09/71/818520971.db2.gz RVDLQZSJGUFGDF-UHFFFAOYSA-N 0 0 392.459 4.249 20 5 GIBDRN C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccs2)o1 ZINC000017654068 818522546 /nfs/dbraw/zinc/52/25/46/818522546.db2.gz UZQJZGHZIFJXFU-JTQLQIEISA-N 0 0 391.430 4.103 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccnc(N3CCC[C@H](C)C3)c2)n1 ZINC000572453150 823342574 /nfs/dbraw/zinc/34/25/74/823342574.db2.gz NVXMIOIVQPXWTP-ZDUSSCGKSA-N 0 0 379.420 4.252 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccnc(N3CCC[C@@H](C)C3)c2)n1 ZINC000572453149 823342722 /nfs/dbraw/zinc/34/27/22/823342722.db2.gz NVXMIOIVQPXWTP-CYBMUJFWSA-N 0 0 379.420 4.252 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)c2)n1 ZINC000189026293 823344107 /nfs/dbraw/zinc/34/41/07/823344107.db2.gz OBAMZDAKXRXJIH-UHFFFAOYSA-N 0 0 396.403 4.085 20 5 GIBDRN CSc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000018057475 818541555 /nfs/dbraw/zinc/54/15/55/818541555.db2.gz VIYXUQILWLVPNW-UHFFFAOYSA-N 0 0 393.364 4.403 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000460298861 823344499 /nfs/dbraw/zinc/34/44/99/823344499.db2.gz QANBJKSLSZOQTM-YJBOKZPZSA-N 0 0 377.448 4.256 20 5 GIBDRN CSc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000018074351 818542576 /nfs/dbraw/zinc/54/25/76/818542576.db2.gz JGZJCMPCTJZYJR-UHFFFAOYSA-N 0 0 395.278 4.351 20 5 GIBDRN O=C(c1sccc1-c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018076965 818543025 /nfs/dbraw/zinc/54/30/25/818543025.db2.gz CLZBDQPVJJFRJS-UHFFFAOYSA-N 0 0 393.468 4.286 20 5 GIBDRN CCOc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000057885978 823344671 /nfs/dbraw/zinc/34/46/71/823344671.db2.gz HBAVPEJDUGBJSU-UHFFFAOYSA-N 0 0 396.802 4.067 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)COc1ccc(Cl)c2ccccc12 ZINC000018087092 818544878 /nfs/dbraw/zinc/54/48/78/818544878.db2.gz CSIWPIBTILFFEN-UHFFFAOYSA-N 0 0 387.775 4.394 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)=C(c2ccco2)C1 ZINC000460300329 823345032 /nfs/dbraw/zinc/34/50/32/823345032.db2.gz GFVSOERIJPGLTG-UHFFFAOYSA-N 0 0 379.420 4.150 20 5 GIBDRN Cc1cccc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000018215532 818557339 /nfs/dbraw/zinc/55/73/39/818557339.db2.gz WJJOYTKPKUZYNU-UHFFFAOYSA-N 0 0 389.455 4.014 20 5 GIBDRN CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177013933 823349513 /nfs/dbraw/zinc/34/95/13/823349513.db2.gz AMTVNKWKOGWYBN-AWEZNQCLSA-N 0 0 394.435 4.064 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000460304994 823346961 /nfs/dbraw/zinc/34/69/61/823346961.db2.gz KUFGLSSPANMMLH-NEPJUHHUSA-N 0 0 376.409 4.029 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000018769710 818577414 /nfs/dbraw/zinc/57/74/14/818577414.db2.gz CBTMALZZDJIMFB-OAHLLOKOSA-N 0 0 397.412 4.006 20 5 GIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000018941174 818581558 /nfs/dbraw/zinc/58/15/58/818581558.db2.gz YKTVUWUIOKCCEB-UHFFFAOYSA-N 0 0 392.452 4.258 20 5 GIBDRN CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460306287 823347411 /nfs/dbraw/zinc/34/74/11/823347411.db2.gz CAULASWNLLLWEM-UHFFFAOYSA-N 0 0 390.447 4.033 20 5 GIBDRN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2o1 ZINC000122388427 823347732 /nfs/dbraw/zinc/34/77/32/823347732.db2.gz ZWOOSEBUPPXGGS-UHFFFAOYSA-N 0 0 380.385 4.136 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000019159799 818585789 /nfs/dbraw/zinc/58/57/89/818585789.db2.gz NRGRAYANXIODLU-UHFFFAOYSA-N 0 0 396.399 4.246 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2)c(C)c1[N+](=O)[O-] ZINC000020012686 818609997 /nfs/dbraw/zinc/60/99/97/818609997.db2.gz YSZKYLPVYHKPLY-ICSRJNTNSA-N 0 0 396.491 4.251 20 5 GIBDRN CC1(C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1cccs1 ZINC000572515575 823352274 /nfs/dbraw/zinc/35/22/74/823352274.db2.gz JOOGTFDOAZUEQU-QGZVFWFLSA-N 0 0 382.445 4.065 20 5 GIBDRN Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000020751326 818630662 /nfs/dbraw/zinc/63/06/62/818630662.db2.gz BJFGGKKPTAWEAC-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CC(C)c1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000020988478 818644349 /nfs/dbraw/zinc/64/43/49/818644349.db2.gz STBZNDDAWGSGAI-ZDUSSCGKSA-N 0 0 396.399 4.231 20 5 GIBDRN CC(C)c1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000020988481 818644425 /nfs/dbraw/zinc/64/44/25/818644425.db2.gz STBZNDDAWGSGAI-CYBMUJFWSA-N 0 0 396.399 4.231 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000021187273 818662640 /nfs/dbraw/zinc/66/26/40/818662640.db2.gz QREYJGVTWSUWLO-UHFFFAOYSA-N 0 0 377.828 4.396 20 5 GIBDRN COc1ccccc1C(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000057961029 823350628 /nfs/dbraw/zinc/35/06/28/823350628.db2.gz QTOGUBQIVIVKIE-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN CN1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2cc(Cl)ccc21 ZINC000460316692 823351095 /nfs/dbraw/zinc/35/10/95/823351095.db2.gz CURHPAGJOVSFCU-UHFFFAOYSA-N 0 0 398.850 4.076 20 5 GIBDRN Cc1cnc([C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000460317625 823351511 /nfs/dbraw/zinc/35/15/11/823351511.db2.gz OTYWMUSKTATEQF-MEBBXXQBSA-N 0 0 395.868 4.048 20 5 GIBDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000021543519 818701892 /nfs/dbraw/zinc/70/18/92/818701892.db2.gz SCPFCCBTOZYACU-SECBINFHSA-N 0 0 397.214 4.164 20 5 GIBDRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000021594589 818711374 /nfs/dbraw/zinc/71/13/74/818711374.db2.gz TZIARKKQFTXYAG-UHFFFAOYSA-N 0 0 382.445 4.128 20 5 GIBDRN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000021615969 818714095 /nfs/dbraw/zinc/71/40/95/818714095.db2.gz VPSSTXWQWHFZBF-NEPJUHHUSA-N 0 0 376.434 4.354 20 5 GIBDRN Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Br)c1 ZINC000021631328 818716611 /nfs/dbraw/zinc/71/66/11/818716611.db2.gz DWWGSEOJGDPVCY-GFCCVEGCSA-N 0 0 393.237 4.380 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000189101969 823357926 /nfs/dbraw/zinc/35/79/26/823357926.db2.gz QBRBWPPIDRJAED-QGZVFWFLSA-N 0 0 391.374 4.095 20 5 GIBDRN CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000021663872 818720891 /nfs/dbraw/zinc/72/08/91/818720891.db2.gz BSSZVGFLTLERAL-ZDUSSCGKSA-N 0 0 384.461 4.392 20 5 GIBDRN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000021669622 818723242 /nfs/dbraw/zinc/72/32/42/818723242.db2.gz OXOXBENEFJPLBK-YVEFUNNKSA-N 0 0 398.444 4.089 20 5 GIBDRN O=C(c1ccc(-n2cccc2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460350106 823360882 /nfs/dbraw/zinc/36/08/82/823360882.db2.gz UPNORTQYCHTOKO-HXUWFJFHSA-N 0 0 379.441 4.273 20 5 GIBDRN COc1ccc(Nc2nc(COC(=O)c3c(C)cccc3[N+](=O)[O-])cs2)cc1 ZINC000022003829 818762960 /nfs/dbraw/zinc/76/29/60/818762960.db2.gz JJDAILMUIZTPDB-UHFFFAOYSA-N 0 0 399.428 4.469 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000572567225 823362304 /nfs/dbraw/zinc/36/23/04/823362304.db2.gz WKECEFBRQIBOAR-AWEZNQCLSA-N 0 0 398.463 4.007 20 5 GIBDRN O=[N+]([O-])c1ccc(SCc2nc(-c3cnc(-c4ccccc4)nc3)no2)cc1 ZINC000572568768 823362874 /nfs/dbraw/zinc/36/28/74/823362874.db2.gz CCAOIDHMCWWSCR-UHFFFAOYSA-N 0 0 391.412 4.394 20 5 GIBDRN Cc1ccc(NCCCNC(=O)[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000460362301 823364040 /nfs/dbraw/zinc/36/40/40/823364040.db2.gz MMUCSWAPGXYWLF-CQSZACIVSA-N 0 0 375.856 4.279 20 5 GIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000022391689 818800553 /nfs/dbraw/zinc/80/05/53/818800553.db2.gz QZDZZEQRVSOAOG-UHFFFAOYSA-N 0 0 397.431 4.388 20 5 GIBDRN CC(C)CN(CC(F)(F)F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000058182232 823367243 /nfs/dbraw/zinc/36/72/43/823367243.db2.gz VRTVEMNOSGAGGK-UHFFFAOYSA-N 0 0 390.405 4.202 20 5 GIBDRN CS(=O)(=O)c1ccc(N2CC3(CCCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000572581820 823365106 /nfs/dbraw/zinc/36/51/06/823365106.db2.gz AIBSXMFRASFQHS-LJQANCHMSA-N 0 0 386.473 4.120 20 5 GIBDRN CCCCSc1nnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000022490786 818816365 /nfs/dbraw/zinc/81/63/65/818816365.db2.gz KGHBSFKDUBKLBR-SNVBAGLBSA-N 0 0 398.535 4.458 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000022590514 818830724 /nfs/dbraw/zinc/83/07/24/818830724.db2.gz RUZFTKFEOJBOPG-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122521818 823366659 /nfs/dbraw/zinc/36/66/59/823366659.db2.gz DOGYFOFMDNANAD-UHFFFAOYSA-N 0 0 391.830 4.238 20 5 GIBDRN CC(C)N(C(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)C 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C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(OC(F)F)c1 ZINC000058277984 823374311 /nfs/dbraw/zinc/37/43/11/823374311.db2.gz PUGITPWETFIVJW-SNVBAGLBSA-N 0 0 375.331 4.169 20 5 GIBDRN CCCCn1c(C)c(C)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000023363004 818928351 /nfs/dbraw/zinc/92/83/51/818928351.db2.gz PUAAVQYQGIQMEZ-UHFFFAOYSA-N 0 0 376.482 4.247 20 5 GIBDRN CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000410033585 823375531 /nfs/dbraw/zinc/37/55/31/823375531.db2.gz OWOXBOYSAUVFQS-OAHLLOKOSA-N 0 0 384.436 4.256 20 5 GIBDRN Cc1ccccc1-n1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cccnc1 ZINC000023615013 818965336 /nfs/dbraw/zinc/96/53/36/818965336.db2.gz RXZPFGSUUIRLON-UHFFFAOYSA-N 0 0 390.428 4.092 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc([C@H]2CCCS2)n1C1CC1)C1CC1 ZINC000572656037 823376855 /nfs/dbraw/zinc/37/68/55/823376855.db2.gz PTGKNJFZSXXHIC-QGZVFWFLSA-N 0 0 385.493 4.258 20 5 GIBDRN CCn1c(SCc2ccc([N+](=O)[O-])cc2F)nnc1-c1ccc(F)cc1 ZINC000122595272 823378801 /nfs/dbraw/zinc/37/88/01/823378801.db2.gz BYCMVLRMAAWGFH-UHFFFAOYSA-N 0 0 376.388 4.444 20 5 GIBDRN COc1ccc(CN(C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1F ZINC000023846793 818986100 /nfs/dbraw/zinc/98/61/00/818986100.db2.gz GGKNNQXHVINRDU-UHFFFAOYSA-N 0 0 377.397 4.109 20 5 GIBDRN O=C(Nc1cccc(Cl)c1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000572664539 823378314 /nfs/dbraw/zinc/37/83/14/823378314.db2.gz GQGOTJFDOWUQIP-UHFFFAOYSA-N 0 0 382.203 4.197 20 5 GIBDRN C[C@@H](CCOCc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000572674189 823380389 /nfs/dbraw/zinc/38/03/89/823380389.db2.gz AKIQMKBGLKQKAD-HNNXBMFYSA-N 0 0 388.439 4.123 20 5 GIBDRN CC(C)C(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024227792 819037626 /nfs/dbraw/zinc/03/76/26/819037626.db2.gz CRKSYWUAQMXAOX-UHFFFAOYSA-N 0 0 376.796 4.104 20 5 GIBDRN Cc1ccc(NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)cc1[N+](=O)[O-] ZINC000024371675 819052427 /nfs/dbraw/zinc/05/24/27/819052427.db2.gz HCRVDAJJAOGQFH-UHFFFAOYSA-N 0 0 381.266 4.021 20 5 GIBDRN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Cl)c1 ZINC000460418601 823382864 /nfs/dbraw/zinc/38/28/64/823382864.db2.gz GZHMJTFUXRGAHO-NSHDSACASA-N 0 0 383.231 4.028 20 5 GIBDRN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000024470159 819061532 /nfs/dbraw/zinc/06/15/32/819061532.db2.gz HQVULRZSFHYRJI-UHFFFAOYSA-N 0 0 380.447 4.034 20 5 GIBDRN O=C(NCc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000024474071 819062065 /nfs/dbraw/zinc/06/20/65/819062065.db2.gz ZQIANJUWCAUIIS-UHFFFAOYSA-N 0 0 396.472 4.125 20 5 GIBDRN COc1cc(CCNC(=O)CCCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000024500349 819065195 /nfs/dbraw/zinc/06/51/95/819065195.db2.gz NBHDFTAVMOPZKR-UHFFFAOYSA-N 0 0 378.469 4.021 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000024542603 819068917 /nfs/dbraw/zinc/06/89/17/819068917.db2.gz WTWUODZWVKGSSH-NSHDSACASA-N 0 0 383.231 4.466 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC2CC(C)(c3ccccc3)C2)cc1SC ZINC000410077385 823385270 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CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000460645391 823465361 /nfs/dbraw/zinc/46/53/61/823465361.db2.gz FEINLPPGLHDYSS-MGPUTAFESA-N 0 0 396.443 4.037 20 5 GIBDRN COc1ccccc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000123113150 823464609 /nfs/dbraw/zinc/46/46/09/823464609.db2.gz VZIATQGDAMTUDS-LJQANCHMSA-N 0 0 397.387 4.116 20 5 GIBDRN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000027680607 820274762 /nfs/dbraw/zinc/27/47/62/820274762.db2.gz BDVFLFRFQWQQGZ-UHFFFAOYSA-N 0 0 379.210 4.033 20 5 GIBDRN COc1ccc(CNc2nnc(SCc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000027826429 820290028 /nfs/dbraw/zinc/29/00/28/820290028.db2.gz WNMPEMIAHJPUMU-UHFFFAOYSA-N 0 0 388.474 4.359 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000027948495 820299861 /nfs/dbraw/zinc/29/98/61/820299861.db2.gz ZHWJUSFMCUTXGB-UHFFFAOYSA-N 0 0 389.260 4.031 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2occc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000027972450 820301507 /nfs/dbraw/zinc/30/15/07/820301507.db2.gz ORGKJMBYIYOTBD-CQSZACIVSA-N 0 0 394.383 4.347 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000058909090 823469259 /nfs/dbraw/zinc/46/92/59/823469259.db2.gz NRFMMHWFTWLUIO-NSHDSACASA-N 0 0 379.869 4.434 20 5 GIBDRN O=C(Nc1ccc(Cn2cccn2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000123142141 823469335 /nfs/dbraw/zinc/46/93/35/823469335.db2.gz ZGRAAVSOTYXJOM-UHFFFAOYSA-N 0 0 391.431 4.036 20 5 GIBDRN CCOc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000460663038 823470296 /nfs/dbraw/zinc/47/02/96/823470296.db2.gz IQKPAZYMTCBYCU-NVXWUHKLSA-N 0 0 398.459 4.268 20 5 GIBDRN CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000028400712 820332896 /nfs/dbraw/zinc/33/28/96/820332896.db2.gz XBTNGPZDCGMCIF-GFCCVEGCSA-N 0 0 388.445 4.063 20 5 GIBDRN CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000028424047 820335254 /nfs/dbraw/zinc/33/52/54/820335254.db2.gz DUNUNLFRWVEQJM-AWEZNQCLSA-N 0 0 384.432 4.212 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cccc(Cl)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000177498477 823477164 /nfs/dbraw/zinc/47/71/64/823477164.db2.gz NJVSASMJHMOXGF-GFCCVEGCSA-N 0 0 397.822 4.464 20 5 GIBDRN O=C(CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000028612431 820344965 /nfs/dbraw/zinc/34/49/65/820344965.db2.gz SUOXWHPLTXPJNZ-UHFFFAOYSA-N 0 0 382.416 4.015 20 5 GIBDRN COc1cccc2sc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)nc21 ZINC000028841212 820362854 /nfs/dbraw/zinc/36/28/54/820362854.db2.gz ZWXVANJSYWQBFK-UHFFFAOYSA-N 0 0 384.417 4.040 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000028891728 820368113 /nfs/dbraw/zinc/36/81/13/820368113.db2.gz VGUAEYWJJOBITH-UHFFFAOYSA-N 0 0 383.429 4.353 20 5 GIBDRN CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000028913275 820371856 /nfs/dbraw/zinc/37/18/56/820371856.db2.gz NMLPKMRZPCMKDR-JTQLQIEISA-N 0 0 395.337 4.255 20 5 GIBDRN CSc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] ZINC000028937300 820375878 /nfs/dbraw/zinc/37/58/78/820375878.db2.gz PFHFWDCQJPEAHU-UHFFFAOYSA-N 0 0 396.472 4.213 20 5 GIBDRN COCCOc1ccccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000123182509 823475343 /nfs/dbraw/zinc/47/53/43/823475343.db2.gz NJJYIGAPAILJCB-UHFFFAOYSA-N 0 0 385.445 4.356 20 5 GIBDRN COc1cc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)ccn1 ZINC000029195751 820409941 /nfs/dbraw/zinc/40/99/41/820409941.db2.gz SKZPABDYUOMALB-UHFFFAOYSA-N 0 0 389.477 4.067 20 5 GIBDRN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029264578 820423266 /nfs/dbraw/zinc/42/32/66/820423266.db2.gz XQBNHKGPZIYBFP-UHFFFAOYSA-N 0 0 395.440 4.298 20 5 GIBDRN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000029485331 820462554 /nfs/dbraw/zinc/46/25/54/820462554.db2.gz IDVLIAJALOWXOU-UHFFFAOYSA-N 0 0 376.372 4.491 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N(CC(F)(F)F)C1CCCC1 ZINC000177523397 823481888 /nfs/dbraw/zinc/48/18/88/823481888.db2.gz ZYDBBOIZFOYEOV-UHFFFAOYSA-N 0 0 395.175 4.304 20 5 GIBDRN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000059057056 823484954 /nfs/dbraw/zinc/48/49/54/823484954.db2.gz CXAKPBSQYKVCTD-UHFFFAOYSA-N 0 0 399.834 4.265 20 5 GIBDRN C[C@H]1c2cccn2CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030265735 820592365 /nfs/dbraw/zinc/59/23/65/820592365.db2.gz BUKYPCJPMBUZSA-INIZCTEOSA-N 0 0 390.443 4.225 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410412898 823490284 /nfs/dbraw/zinc/49/02/84/823490284.db2.gz GAPCLVALAAKAQC-UHFFFAOYSA-N 0 0 395.278 4.439 20 5 GIBDRN C[C@@H](Nc1ccccc1OCC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123291816 823491473 /nfs/dbraw/zinc/49/14/73/823491473.db2.gz ZNSGCDHOVWBAOV-SNVBAGLBSA-N 0 0 399.781 4.331 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000030480681 820622345 /nfs/dbraw/zinc/62/23/45/820622345.db2.gz XLLIAGGDFDQRFJ-UHFFFAOYSA-N 0 0 395.459 4.267 20 5 GIBDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000030585696 820645867 /nfs/dbraw/zinc/64/58/67/820645867.db2.gz WNQYWEHRKZENMT-UHFFFAOYSA-N 0 0 388.445 4.224 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410449951 823496747 /nfs/dbraw/zinc/49/67/47/823496747.db2.gz WFVUBRJYONQYHY-DLBZAZTESA-N 0 0 394.349 4.264 20 5 GIBDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000030881560 820700459 /nfs/dbraw/zinc/70/04/59/820700459.db2.gz HYTFWDDFQHNIHU-UHFFFAOYSA-N 0 0 399.447 4.362 20 5 GIBDRN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000030886138 820700819 /nfs/dbraw/zinc/70/08/19/820700819.db2.gz VGCSNTUXJIFTHM-UHFFFAOYSA-N 0 0 381.310 4.320 20 5 GIBDRN Cc1nc(-c2ccc([C@@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000030891085 820702286 /nfs/dbraw/zinc/70/22/86/820702286.db2.gz RCBIHIHRFYQPLG-CYBMUJFWSA-N 0 0 381.457 4.447 20 5 GIBDRN COc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(C)C ZINC000059786256 823498925 /nfs/dbraw/zinc/49/89/25/823498925.db2.gz XTMAKOHYGNNNEK-UHFFFAOYSA-N 0 0 392.839 4.222 20 5 GIBDRN Cc1cccc(C(=O)N2CCCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000059813517 823499602 /nfs/dbraw/zinc/49/96/02/823499602.db2.gz UYLULRDNNZWZPE-UHFFFAOYSA-N 0 0 375.222 4.259 20 5 GIBDRN O=[N+]([O-])c1ccccc1N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000031083635 820736966 /nfs/dbraw/zinc/73/69/66/820736966.db2.gz GHQDEVUXGBJGMY-UHFFFAOYSA-N 0 0 398.850 4.225 20 5 GIBDRN O=C(NCc1cccc(COCc2ccco2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000031095670 820740148 /nfs/dbraw/zinc/74/01/48/820740148.db2.gz CILRLJIEPWOENO-UHFFFAOYSA-N 0 0 381.388 4.226 20 5 GIBDRN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000123355739 823500744 /nfs/dbraw/zinc/50/07/44/823500744.db2.gz GPSWWEIYYXTTHZ-QRWLVFNGSA-N 0 0 382.416 4.075 20 5 GIBDRN O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000031311967 820790324 /nfs/dbraw/zinc/79/03/24/820790324.db2.gz CWUOXEWPXPZNHQ-UHFFFAOYSA-N 0 0 386.404 4.304 20 5 GIBDRN Cc1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1[N+](=O)[O-] ZINC000060058725 823506003 /nfs/dbraw/zinc/50/60/03/823506003.db2.gz QJTJOPDROQJAKM-UHFFFAOYSA-N 0 0 381.363 4.160 20 5 GIBDRN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000031384069 820801192 /nfs/dbraw/zinc/80/11/92/820801192.db2.gz PDKSTCZYJLLPDR-KRWDZBQOSA-N 0 0 390.439 4.310 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC(C)C ZINC000031512041 820819998 /nfs/dbraw/zinc/81/99/98/820819998.db2.gz MPETVCKRGRIHHJ-LLVKDONJSA-N 0 0 378.450 4.252 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCOc2ccccc2-c2ccccc2)c1 ZINC000060109193 823508820 /nfs/dbraw/zinc/50/88/20/823508820.db2.gz ZXHIQTJKXVZWCU-UHFFFAOYSA-N 0 0 392.411 4.079 20 5 GIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1nccn1C(F)F ZINC000031747758 820855183 /nfs/dbraw/zinc/85/51/83/820855183.db2.gz OFAAVRCSIASFAJ-UHFFFAOYSA-N 0 0 386.427 4.454 20 5 GIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1OCCc2sccc21 ZINC000410706609 823510265 /nfs/dbraw/zinc/51/02/65/823510265.db2.gz VGRSVCIOHNDIGE-VOJFVSQTSA-N 0 0 383.429 4.093 20 5 GIBDRN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1Br ZINC000123453279 823510252 /nfs/dbraw/zinc/51/02/52/823510252.db2.gz IWSHPDRVRUGHTK-UHFFFAOYSA-N 0 0 396.197 4.019 20 5 GIBDRN Cc1ccccc1-c1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000031839859 820866748 /nfs/dbraw/zinc/86/67/48/820866748.db2.gz LCHJFCPOKFXDNM-UHFFFAOYSA-N 0 0 395.400 4.296 20 5 GIBDRN COc1ccc(CSCC(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000031906339 820873469 /nfs/dbraw/zinc/87/34/69/820873469.db2.gz NWWBCAJWJRFZMM-UHFFFAOYSA-N 0 0 388.489 4.274 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](C)c2cc(C)sc2C)c([N+](=O)[O-])cc1OC ZINC000031951306 820878024 /nfs/dbraw/zinc/87/80/24/820878024.db2.gz BJHKDKKPWMJTMY-LLVKDONJSA-N 0 0 378.450 4.171 20 5 GIBDRN CCOc1cc(NC(=O)c2cnc(C(C)C)s2)c([N+](=O)[O-])cc1OCC ZINC000123461631 823511370 /nfs/dbraw/zinc/51/13/70/823511370.db2.gz IFKCBSLYTNKUHU-UHFFFAOYSA-N 0 0 379.438 4.224 20 5 GIBDRN COc1c(C)ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000031969626 820882297 /nfs/dbraw/zinc/88/22/97/820882297.db2.gz YMLGVXJBONDRQF-UHFFFAOYSA-N 0 0 379.210 4.235 20 5 GIBDRN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000032042530 820890982 /nfs/dbraw/zinc/89/09/82/820890982.db2.gz UQNYARLMGAEMDW-NXEZZACHSA-N 0 0 384.276 4.234 20 5 GIBDRN Cc1c(C(=O)NCc2ccc(COc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000032304979 820910896 /nfs/dbraw/zinc/91/08/96/820910896.db2.gz BHMKOPCQDKWSIT-UHFFFAOYSA-N 0 0 376.412 4.412 20 5 GIBDRN CN(C(=O)c1c(F)ccc(SCC2CC2)c1F)c1ccc([N+](=O)[O-])nc1 ZINC000410804134 823514756 /nfs/dbraw/zinc/51/47/56/823514756.db2.gz DIYUYXFTZDKBMM-UHFFFAOYSA-N 0 0 379.388 4.047 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000060323004 823515681 /nfs/dbraw/zinc/51/56/81/823515681.db2.gz XVNHQOOEHRVMOS-UHFFFAOYSA-N 0 0 397.412 4.170 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000460802164 823516310 /nfs/dbraw/zinc/51/63/10/823516310.db2.gz DYHZDUOUYXSULS-UHFFFAOYSA-N 0 0 389.455 4.014 20 5 GIBDRN CCCN(C(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000410820837 823516504 /nfs/dbraw/zinc/51/65/04/823516504.db2.gz FZHVAWQIYLAYJU-GQOXECLESA-N 0 0 390.480 4.092 20 5 GIBDRN Cc1c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000032677060 820988671 /nfs/dbraw/zinc/98/86/71/820988671.db2.gz RFLOABCGRUXOHR-MRXNPFEDSA-N 0 0 391.427 4.368 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000410876318 823520189 /nfs/dbraw/zinc/52/01/89/823520189.db2.gz HPYBAQFCGMTYCG-ZDUSSCGKSA-N 0 0 375.450 4.068 20 5 GIBDRN Cc1cc(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)n1CCC(C)C ZINC000060370941 823520725 /nfs/dbraw/zinc/52/07/25/823520725.db2.gz FTSCRHPYUYRVFR-UHFFFAOYSA-N 0 0 395.463 4.201 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000177754376 823521025 /nfs/dbraw/zinc/52/10/25/823521025.db2.gz UQBXQHMQQUZUSQ-UHFFFAOYSA-N 0 0 397.353 4.420 20 5 GIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1cccnc1 ZINC000410895642 823521340 /nfs/dbraw/zinc/52/13/40/823521340.db2.gz JCOFPGRUIJGCAL-HNNXBMFYSA-N 0 0 379.338 4.232 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032856979 821014325 /nfs/dbraw/zinc/01/43/25/821014325.db2.gz KHVCKLFCHZEIKM-MRXNPFEDSA-N 0 0 397.412 4.006 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000410925209 823522486 /nfs/dbraw/zinc/52/24/86/823522486.db2.gz LPYIFCASJTVUNO-UHFFFAOYSA-N 0 0 391.733 4.229 20 5 GIBDRN Cc1nc2ccccc2n1CCc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000460824010 823522701 /nfs/dbraw/zinc/52/27/01/823522701.db2.gz MTMFWMVLXREWPF-KHPPLWFESA-N 0 0 375.388 4.049 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000033099574 821034070 /nfs/dbraw/zinc/03/40/70/821034070.db2.gz LTWSTEQTVLTPIL-IFXJQAMLSA-N 0 0 384.480 4.107 20 5 GIBDRN O=C(c1ccc(Cl)cc1)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000060445252 823528566 /nfs/dbraw/zinc/52/85/66/823528566.db2.gz YIQAHOVAPSKFQI-UHFFFAOYSA-N 0 0 398.850 4.150 20 5 GIBDRN COC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000036684091 821075118 /nfs/dbraw/zinc/07/51/18/821075118.db2.gz BJNDZNXGBOCFOU-LLVKDONJSA-N 0 0 380.853 4.164 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000036697503 821076633 /nfs/dbraw/zinc/07/66/33/821076633.db2.gz VBHWFXLFAZQRQA-ZDUSSCGKSA-N 0 0 380.400 4.256 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(Br)c(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000410965176 823525450 /nfs/dbraw/zinc/52/54/50/823525450.db2.gz PJVITIJXUQLIJT-UHFFFAOYSA-N 0 0 376.210 4.190 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000039587788 821119667 /nfs/dbraw/zinc/11/96/67/821119667.db2.gz HFCCOSSUOVMBPX-VIFPVBQESA-N 0 0 385.203 4.316 20 5 GIBDRN Cc1nc(Cl)sc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000177846277 823535590 /nfs/dbraw/zinc/53/55/90/823535590.db2.gz UAGBAHMFKIXPMK-UHFFFAOYSA-N 0 0 393.774 4.218 20 5 GIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCCCN2c2ccccc21 ZINC000411015974 823533938 /nfs/dbraw/zinc/53/39/38/823533938.db2.gz QXQDTQUPMZJGSL-OAHLLOKOSA-N 0 0 381.432 4.013 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(Br)o1 ZINC000041395720 821187694 /nfs/dbraw/zinc/18/76/94/821187694.db2.gz OVVCDXYZNBKSPM-SNVBAGLBSA-N 0 0 399.266 4.090 20 5 GIBDRN Cc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000041400720 821188982 /nfs/dbraw/zinc/18/89/82/821188982.db2.gz YCGCMIRRTKNVKC-SFHVURJKSA-N 0 0 387.867 4.124 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(Cl)c2Br)ccc1[N+](=O)[O-] ZINC000190092942 823536645 /nfs/dbraw/zinc/53/66/45/823536645.db2.gz DLCCFYKKCNMCNS-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000177859763 823537553 /nfs/dbraw/zinc/53/75/53/823537553.db2.gz BLDGNPXWWKGGRY-STQMWFEESA-N 0 0 389.433 4.169 20 5 GIBDRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000041779150 821229081 /nfs/dbraw/zinc/22/90/81/821229081.db2.gz JQOGMSFHNLUMRM-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000041850867 821237200 /nfs/dbraw/zinc/23/72/00/821237200.db2.gz OHSHIEFZWZGKBI-KRWDZBQOSA-N 0 0 383.448 4.135 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000041850682 821237310 /nfs/dbraw/zinc/23/73/10/821237310.db2.gz WQOUZNVAVPEQKW-GOSISDBHSA-N 0 0 383.448 4.135 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3c(F)c(F)c(F)cc32)c1 ZINC000411056298 823538817 /nfs/dbraw/zinc/53/88/17/823538817.db2.gz BLGQRRVFCYGIHQ-UHFFFAOYSA-N 0 0 380.322 4.004 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000411059916 823539342 /nfs/dbraw/zinc/53/93/42/823539342.db2.gz VXBCTENTDWWTFV-HNNXBMFYSA-N 0 0 391.221 4.318 20 5 GIBDRN CCCNc1ccccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190119952 823539856 /nfs/dbraw/zinc/53/98/56/823539856.db2.gz BNSGEOFEWYAMRL-UHFFFAOYSA-N 0 0 389.477 4.297 20 5 GIBDRN Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000060543483 823540106 /nfs/dbraw/zinc/54/01/06/823540106.db2.gz SCXMVTPWEYXVIT-UHFFFAOYSA-N 0 0 379.747 4.222 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000042223603 821287463 /nfs/dbraw/zinc/28/74/63/821287463.db2.gz LPLJAIQAHYUSMB-YPMHNXCESA-N 0 0 380.853 4.441 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000042918748 821345044 /nfs/dbraw/zinc/34/50/44/821345044.db2.gz CSLTZOPNYYYJTH-UHFFFAOYSA-N 0 0 376.237 4.467 20 5 GIBDRN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918237 821344436 /nfs/dbraw/zinc/34/44/36/821344436.db2.gz REDFACGBIIILGM-UHFFFAOYSA-N 0 0 390.264 4.396 20 5 GIBDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918426 821344793 /nfs/dbraw/zinc/34/47/93/821344793.db2.gz CKKSHSUYDNRYEN-SECBINFHSA-N 0 0 386.738 4.256 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000043127038 821364296 /nfs/dbraw/zinc/36/42/96/821364296.db2.gz HGFVQGALTGHWQO-UHFFFAOYSA-N 0 0 396.403 4.156 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000043149081 821368316 /nfs/dbraw/zinc/36/83/16/821368316.db2.gz VYGCVCQHYDMZTC-UHFFFAOYSA-N 0 0 379.420 4.191 20 5 GIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000043149668 821368677 /nfs/dbraw/zinc/36/86/77/821368677.db2.gz CRLDVBMXBLZZMU-GOSISDBHSA-N 0 0 385.420 4.289 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000043149479 821368768 /nfs/dbraw/zinc/36/87/68/821368768.db2.gz QFZPNDISBINZTP-QGZVFWFLSA-N 0 0 385.420 4.289 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)c3cnn(CC(C)C)c3)n2)cc1[N+](=O)[O-] ZINC000180628958 821374396 /nfs/dbraw/zinc/37/43/96/821374396.db2.gz VYZXOZKZHCLWKV-UHFFFAOYSA-N 0 0 385.449 4.132 20 5 GIBDRN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000043187383 821376344 /nfs/dbraw/zinc/37/63/44/821376344.db2.gz VDDITKQIMSGDSN-GFCCVEGCSA-N 0 0 392.253 4.260 20 5 GIBDRN C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180639395 821378445 /nfs/dbraw/zinc/37/84/45/821378445.db2.gz ACLUEDFDVZXXTH-ZDUSSCGKSA-N 0 0 377.828 4.053 20 5 GIBDRN CC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2s1 ZINC000043270352 821384276 /nfs/dbraw/zinc/38/42/76/821384276.db2.gz QHFFXZKRPRVISW-UHFFFAOYSA-N 0 0 390.808 4.069 20 5 GIBDRN COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000043331149 821393396 /nfs/dbraw/zinc/39/33/96/821393396.db2.gz GMWUMPGFOUZXGO-JTQLQIEISA-N 0 0 379.800 4.148 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000043331104 821393471 /nfs/dbraw/zinc/39/34/71/821393471.db2.gz JOGWTUVFYZAXDN-UHFFFAOYSA-N 0 0 388.786 4.459 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCc2ccccc2)CC1 ZINC000043341691 821395009 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392.455 4.134 20 5 GIBDRN COc1cccc2[nH]cc(CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c21 ZINC000180915074 821534715 /nfs/dbraw/zinc/53/47/15/821534715.db2.gz MTKSTADISRTYPH-UHFFFAOYSA-N 0 0 381.432 4.064 20 5 GIBDRN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc2ccccc2c2cccnc12 ZINC000180943149 821549664 /nfs/dbraw/zinc/54/96/64/821549664.db2.gz MWKVYCWIXKQFCY-GOSISDBHSA-N 0 0 395.462 4.203 20 5 GIBDRN Nc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000180981581 821572466 /nfs/dbraw/zinc/57/24/66/821572466.db2.gz QOGWJNGHVBQDBJ-UHFFFAOYSA-N 0 0 393.365 4.216 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(c1cccc(F)c1)C1CCOCC1 ZINC000180983653 821573660 /nfs/dbraw/zinc/57/36/60/821573660.db2.gz KQUBIPDGOQMAJR-UHFFFAOYSA-N 0 0 392.814 4.142 20 5 GIBDRN Cc1ccc(Cc2cnc(NC(=O)c3csc([N+](=O)[O-])c3)s2)cc1F ZINC000044491237 821594344 /nfs/dbraw/zinc/59/43/44/821594344.db2.gz CNEAAYJUSLUNBY-UHFFFAOYSA-N 0 0 377.422 4.403 20 5 GIBDRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1csc([N+](=O)[O-])c1 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Cc1ccc(C[C@@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000181279977 821731518 /nfs/dbraw/zinc/73/15/18/821731518.db2.gz XVLAOYYODKLFTD-QGZVFWFLSA-N 0 0 382.460 4.152 20 5 GIBDRN COc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000181508515 821859398 /nfs/dbraw/zinc/85/93/98/821859398.db2.gz HOHLYYDAHLBODF-UHFFFAOYSA-N 0 0 380.853 4.008 20 5 GIBDRN COc1ccccc1[C@@H](CC(C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181519288 821864082 /nfs/dbraw/zinc/86/40/82/821864082.db2.gz OSPXRSLEQJYLRM-CYBMUJFWSA-N 0 0 398.506 4.268 20 5 GIBDRN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1Cl ZINC000181732315 821966354 /nfs/dbraw/zinc/96/63/54/821966354.db2.gz DVUYNUDCFGLIQV-SECBINFHSA-N 0 0 386.210 4.330 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000181773912 821987142 /nfs/dbraw/zinc/98/71/42/821987142.db2.gz VKTVUICTDDIVCW-UHFFFAOYSA-N 0 0 388.729 4.206 20 5 GIBDRN O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182006491 822060125 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O=C(Nc1ccc([C@H]2CCOC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454529392 822492032 /nfs/dbraw/zinc/49/20/32/822492032.db2.gz WSGOWMIIFFQBLT-LBPRGKRZSA-N 0 0 393.346 4.344 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000046625847 822494841 /nfs/dbraw/zinc/49/48/41/822494841.db2.gz FZZAHVVLEXNXFD-LJQANCHMSA-N 0 0 397.450 4.181 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1csc(Br)c1)C1CC1 ZINC000183612494 822501276 /nfs/dbraw/zinc/50/12/76/822501276.db2.gz DRMVBEDKYAIPFM-UHFFFAOYSA-N 0 0 397.254 4.010 20 5 GIBDRN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179559146 822503662 /nfs/dbraw/zinc/50/36/62/822503662.db2.gz ANZVPLWQVZRNBE-UHFFFAOYSA-N 0 0 391.305 4.336 20 5 GIBDRN C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000179580962 822506561 /nfs/dbraw/zinc/50/65/61/822506561.db2.gz MRKYMEKNBGOURE-CYBMUJFWSA-N 0 0 391.265 4.195 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2cccc3ccccc32)cc1OC ZINC000046697448 822506652 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822541805 /nfs/dbraw/zinc/54/18/05/822541805.db2.gz HHRYEUQIBFVZET-UHFFFAOYSA-N 0 0 391.412 4.361 20 5 GIBDRN CC(C)(C)Oc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000183894833 822541969 /nfs/dbraw/zinc/54/19/69/822541969.db2.gz OMZXNTUMSIGVTC-UHFFFAOYSA-N 0 0 398.463 4.041 20 5 GIBDRN COc1cc(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000183902408 822543212 /nfs/dbraw/zinc/54/32/12/822543212.db2.gz VRHARGBGXAGNSY-RNODOKPDSA-N 0 0 384.432 4.056 20 5 GIBDRN COc1ccccc1COC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000179757929 822544651 /nfs/dbraw/zinc/54/46/51/822544651.db2.gz DTQSSCOTVANBPJ-UHFFFAOYSA-N 0 0 390.867 4.438 20 5 GIBDRN COc1cc(C)c(Br)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000183936671 822550276 /nfs/dbraw/zinc/55/02/76/822550276.db2.gz DCBOXBAZDQNWCG-UHFFFAOYSA-N 0 0 393.237 4.164 20 5 GIBDRN COc1cc(C)c(Br)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000183947484 822552069 /nfs/dbraw/zinc/55/20/69/822552069.db2.gz LJNHEMSUAWSUJQ-UHFFFAOYSA-N 0 0 385.239 4.297 20 5 GIBDRN O=C(Nc1cccc(N2CCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047192372 822552903 /nfs/dbraw/zinc/55/29/03/822552903.db2.gz IKWUTYGVTGPUAD-UHFFFAOYSA-N 0 0 394.475 4.050 20 5 GIBDRN COc1cccc(-c2nc(C(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)c(C)[nH]2)c1 ZINC000179809673 822557362 /nfs/dbraw/zinc/55/73/62/822557362.db2.gz MGTLCUITBRMDII-CYBMUJFWSA-N 0 0 381.388 4.220 20 5 GIBDRN Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000183987370 822558619 /nfs/dbraw/zinc/55/86/19/822558619.db2.gz ZAKZTYNNHWDQCP-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000454935245 822559943 /nfs/dbraw/zinc/55/99/43/822559943.db2.gz QYBUMSRAUFRIQV-ZMMAXQRCSA-N 0 0 389.496 4.078 20 5 GIBDRN C[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000183996270 822560447 /nfs/dbraw/zinc/56/04/47/822560447.db2.gz SFZNFXCUIGOKJD-CYBMUJFWSA-N 0 0 390.386 4.047 20 5 GIBDRN 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4.251 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CNC3(c4ccc(F)cc4F)CCC3)n2)c1 ZINC000179989886 822591822 /nfs/dbraw/zinc/59/18/22/822591822.db2.gz UUOBRNWFVHUPMZ-UHFFFAOYSA-N 0 0 386.358 4.092 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000455135384 822594640 /nfs/dbraw/zinc/59/46/40/822594640.db2.gz GBIIMKICZKLSOW-SJCJKPOMSA-N 0 0 375.450 4.097 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000455147339 822596918 /nfs/dbraw/zinc/59/69/18/822596918.db2.gz VFWFWFUAWUTBGN-QGZVFWFLSA-N 0 0 377.828 4.062 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc(NC[C@H]2CCCO2)s1 ZINC000180018270 822597689 /nfs/dbraw/zinc/59/76/89/822597689.db2.gz VXSPCXVPPFLJAF-DGCLKSJQSA-N 0 0 380.495 4.199 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000180028648 822600421 /nfs/dbraw/zinc/60/04/21/822600421.db2.gz UFGBUYMKXZCNGK-HOTGVXAUSA-N 0 0 379.775 4.039 20 5 GIBDRN O=[N+]([O-])c1cccc(N2CCN(Cc3coc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000047744194 822605727 /nfs/dbraw/zinc/60/57/27/822605727.db2.gz ZMPZYUTYCCANNK-UHFFFAOYSA-N 0 0 398.850 4.225 20 5 GIBDRN COc1cc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1F ZINC000184301291 822610790 /nfs/dbraw/zinc/61/07/90/822610790.db2.gz NZFKZMGGQJSHHD-JTQLQIEISA-N 0 0 388.317 4.492 20 5 GIBDRN O=[N+]([O-])c1cccc([C@H](NCc2cccnc2-n2cccn2)c2ccccc2)c1 ZINC000180085026 822612060 /nfs/dbraw/zinc/61/20/60/822612060.db2.gz WGOXVGPBNOZPRQ-OAQYLSRUSA-N 0 0 385.427 4.055 20 5 GIBDRN C[C@@H](C(=O)NC[C@H](C)Oc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC000184308915 822612241 /nfs/dbraw/zinc/61/22/41/822612241.db2.gz LKLDAOMUBOTHFJ-NWDGAFQWSA-N 0 0 380.803 4.075 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nc(C(C)(C)C)cs1 ZINC000180149677 822627064 /nfs/dbraw/zinc/62/70/64/822627064.db2.gz DSBSKXAARHXILY-LBPRGKRZSA-N 0 0 382.507 4.333 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nc(C(F)(F)F)cs1 ZINC000180152021 822627662 /nfs/dbraw/zinc/62/76/62/822627662.db2.gz KRPKQEBIVZRZLW-VIFPVBQESA-N 0 0 394.396 4.055 20 5 GIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)o1 ZINC000048055599 822627818 /nfs/dbraw/zinc/62/78/18/822627818.db2.gz COQIEYCBDYBTAX-YJYMSZOUSA-N 0 0 384.432 4.342 20 5 GIBDRN Cc1cc(OC(C)C)ccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000048120856 822635379 /nfs/dbraw/zinc/63/53/79/822635379.db2.gz CPOUZYSHIQHQBM-UHFFFAOYSA-N 0 0 398.463 4.045 20 5 GIBDRN COCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1F ZINC000180200936 822638275 /nfs/dbraw/zinc/63/82/75/822638275.db2.gz XKDXQMWBUQOGBX-UHFFFAOYSA-N 0 0 392.452 4.311 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000180202292 822638619 /nfs/dbraw/zinc/63/86/19/822638619.db2.gz LNUDKJNMJYCTLP-CQSZACIVSA-N 0 0 386.473 4.391 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000455352993 822638743 /nfs/dbraw/zinc/63/87/43/822638743.db2.gz CIVLYIXHSKGEPZ-BLLLJJGKSA-N 0 0 391.449 4.097 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000180233955 822645082 /nfs/dbraw/zinc/64/50/82/822645082.db2.gz GQIPLRISYWZEBX-MJGOQNOKSA-N 0 0 386.473 4.355 20 5 GIBDRN CCOc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000184530347 822651914 /nfs/dbraw/zinc/65/19/14/822651914.db2.gz IVHYGLOCMKCYCF-KBXCAEBGSA-N 0 0 399.447 4.186 20 5 GIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000048316409 822653247 /nfs/dbraw/zinc/65/32/47/822653247.db2.gz JNSGXKUUTXFWBB-QGZVFWFLSA-N 0 0 395.415 4.071 20 5 GIBDRN CN(C(=O)CSc1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180283726 822655029 /nfs/dbraw/zinc/65/50/29/822655029.db2.gz IFCHCZZRAOMCJP-UHFFFAOYSA-N 0 0 385.470 4.473 20 5 GIBDRN CCNC(=O)c1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180286653 822655698 /nfs/dbraw/zinc/65/56/98/822655698.db2.gz JXXHDEBMMMLVPW-JOCHJYFZSA-N 0 0 389.455 4.224 20 5 GIBDRN COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)ccc1C ZINC000180288460 822656206 /nfs/dbraw/zinc/65/62/06/822656206.db2.gz QNCDNIMEASBANJ-UHFFFAOYSA-N 0 0 383.429 4.312 20 5 GIBDRN C[C@@H](Oc1ccccc1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180291854 822657222 /nfs/dbraw/zinc/65/72/22/822657222.db2.gz CEORCAMFTVDDDC-CYBMUJFWSA-N 0 0 383.429 4.149 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCSC[C@H]1c1nccs1 ZINC000184560242 822657663 /nfs/dbraw/zinc/65/76/63/822657663.db2.gz ADUMNRKBCOXVOI-LBPRGKRZSA-N 0 0 391.499 4.196 20 5 GIBDRN CCO[C@@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000180296606 822658517 /nfs/dbraw/zinc/65/85/17/822658517.db2.gz FODPZZQDIGJQMX-GOSISDBHSA-N 0 0 397.456 4.459 20 5 GIBDRN CC(C)CN(C(=O)[C@H]1CCCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180300929 822659767 /nfs/dbraw/zinc/65/97/67/822659767.db2.gz JCZLGGDEHIRUPT-QGZVFWFLSA-N 0 0 389.477 4.276 20 5 GIBDRN CCOc1ccccc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180306655 822660762 /nfs/dbraw/zinc/66/07/62/822660762.db2.gz WJOVRZDXGOBCPF-UHFFFAOYSA-N 0 0 382.363 4.258 20 5 GIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000455492200 822665230 /nfs/dbraw/zinc/66/52/30/822665230.db2.gz XSPKNOPBIIBCCJ-UHFFFAOYSA-N 0 0 382.342 4.374 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000184640513 822669785 /nfs/dbraw/zinc/66/97/85/822669785.db2.gz GOWCCPSCTSQRNQ-GFCCVEGCSA-N 0 0 398.394 4.397 20 5 GIBDRN C[C@@H](CO)[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184651176 822671011 /nfs/dbraw/zinc/67/10/11/822671011.db2.gz SIOJMELBFSIDKH-NWDGAFQWSA-N 0 0 394.880 4.146 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)C3C[C@@H](C)O[C@H](C)C3)n2)cc1[N+](=O)[O-] ZINC000180430280 822680330 /nfs/dbraw/zinc/68/03/30/822680330.db2.gz NDDBLVJWCDBUEX-VXGBXAGGSA-N 0 0 375.450 4.169 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)n2)cc1[N+](=O)[O-] ZINC000180430298 822680337 /nfs/dbraw/zinc/68/03/37/822680337.db2.gz NDDBLVJWCDBUEX-RYUDHWBXSA-N 0 0 375.450 4.169 20 5 GIBDRN COc1cc(-c2nc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cs2)ccc1O ZINC000180441051 822682547 /nfs/dbraw/zinc/68/25/47/822682547.db2.gz YAKNWVDEBVTKAG-GFCCVEGCSA-N 0 0 385.445 4.283 20 5 GIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1NCC1CCCCC1 ZINC000180442888 822683054 /nfs/dbraw/zinc/68/30/54/822683054.db2.gz GHAGEMMBFCWXAB-UHFFFAOYSA-N 0 0 391.859 4.226 20 5 GIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448234 822683999 /nfs/dbraw/zinc/68/39/99/822683999.db2.gz KKEMRMPMUVGSIX-STQMWFEESA-N 0 0 395.415 4.221 20 5 GIBDRN Cc1nn(C)c2sc(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc12 ZINC000180469912 822687760 /nfs/dbraw/zinc/68/77/60/822687760.db2.gz AEHBVQPPJYTJBF-UHFFFAOYSA-N 0 0 384.339 4.123 20 5 GIBDRN CCOc1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000180475070 822688346 /nfs/dbraw/zinc/68/83/46/822688346.db2.gz ZCOUDSHZVNWYMP-UHFFFAOYSA-N 0 0 396.443 4.240 20 5 GIBDRN Cc1cnc([C@@H](C)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000184772045 822688739 /nfs/dbraw/zinc/68/87/39/822688739.db2.gz PZZXXLSFFWZZEE-VIFPVBQESA-N 0 0 385.898 4.025 20 5 GIBDRN CC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(C)cs1 ZINC000184814827 822694865 /nfs/dbraw/zinc/69/48/65/822694865.db2.gz AHBHTWOXCMKYEI-HNNXBMFYSA-N 0 0 398.282 4.177 20 5 GIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 ZINC000184844349 822699180 /nfs/dbraw/zinc/69/91/80/822699180.db2.gz YVEAEFJHFXTOCJ-GJZGRUSLSA-N 0 0 385.439 4.315 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000184913193 822712250 /nfs/dbraw/zinc/71/22/50/822712250.db2.gz CTHXYQDXOBKNGJ-KRWDZBQOSA-N 0 0 375.812 4.162 20 5 GIBDRN Cc1oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2c1C ZINC000184974989 822720383 /nfs/dbraw/zinc/72/03/83/822720383.db2.gz YGKSGHYNILAMCI-CYBMUJFWSA-N 0 0 395.415 4.082 20 5 GIBDRN Cc1oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2c1C ZINC000184975009 822720405 /nfs/dbraw/zinc/72/04/05/822720405.db2.gz YGKSGHYNILAMCI-ZDUSSCGKSA-N 0 0 395.415 4.082 20 5 GIBDRN COC(=O)c1ccc(C)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050288057 822723671 /nfs/dbraw/zinc/72/36/71/822723671.db2.gz DLRZHKZRQGKCKJ-UHFFFAOYSA-N 0 0 397.412 4.066 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000185019094 822725875 /nfs/dbraw/zinc/72/58/75/822725875.db2.gz LIHXRRRYDNRPHQ-ZDUSSCGKSA-N 0 0 392.839 4.473 20 5 GIBDRN CC(C)(C)c1ncc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000050347283 822727018 /nfs/dbraw/zinc/72/70/18/822727018.db2.gz JSIJRSFYHRAYEE-UHFFFAOYSA-N 0 0 383.433 4.058 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000185044559 822728688 /nfs/dbraw/zinc/72/86/88/822728688.db2.gz SOGWFYPWLHWFDY-XMSQKQJNSA-N 0 0 389.455 4.464 20 5 GIBDRN O=C(NCc1cscn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000050408800 822729019 /nfs/dbraw/zinc/72/90/19/822729019.db2.gz ZKJDCVPGQFEJMQ-UHFFFAOYSA-N 0 0 389.820 4.427 20 5 GIBDRN Cc1ncc(Br)cc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000455822062 822732275 /nfs/dbraw/zinc/73/22/75/822732275.db2.gz LGHWSXKRFSCCPO-UHFFFAOYSA-N 0 0 393.241 4.118 20 5 GIBDRN CC(C)N(Cc1cccnc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050587485 822734134 /nfs/dbraw/zinc/73/41/34/822734134.db2.gz PDCMCOCUALCXRN-UHFFFAOYSA-N 0 0 382.445 4.164 20 5 GIBDRN COc1cccc(-c2noc([C@H](C)NCc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000185108669 822738197 /nfs/dbraw/zinc/73/81/97/822738197.db2.gz INAVWVTZVBJECO-NSHDSACASA-N 0 0 388.811 4.158 20 5 GIBDRN CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCO1 ZINC000050781465 822738555 /nfs/dbraw/zinc/73/85/55/822738555.db2.gz XHESZDWYKZLFPY-OAHLLOKOSA-N 0 0 390.823 4.292 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000185196201 822747949 /nfs/dbraw/zinc/74/79/49/822747949.db2.gz GRZAGHVHRMALFM-INIZCTEOSA-N 0 0 383.448 4.397 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCCOC)cc1C ZINC000185252910 822755005 /nfs/dbraw/zinc/75/50/05/822755005.db2.gz JZJOJEOJTUMSEN-QGZVFWFLSA-N 0 0 386.448 4.136 20 5 GIBDRN O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185263978 822756595 /nfs/dbraw/zinc/75/65/95/822756595.db2.gz HTILGJDFSIUYOS-HZPDHXFCSA-N 0 0 390.361 4.307 20 5 GIBDRN CC(C)OCc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185265218 822756746 /nfs/dbraw/zinc/75/67/46/822756746.db2.gz LMPPOLNCDKSWNV-UHFFFAOYSA-N 0 0 377.828 4.495 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000185266015 822756889 /nfs/dbraw/zinc/75/68/89/822756889.db2.gz SFOJUKIFFGWAMW-AWEZNQCLSA-N 0 0 381.354 4.154 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000051379498 822758183 /nfs/dbraw/zinc/75/81/83/822758183.db2.gz MBVYHJLBKZROSQ-SFHVURJKSA-N 0 0 395.440 4.401 20 5 GIBDRN C[C@H](NC(=O)[C@]1(Cc2cccc(Cl)c2)CCOC1)c1ccccc1[N+](=O)[O-] ZINC000455989894 822762538 /nfs/dbraw/zinc/76/25/38/822762538.db2.gz GTNCNVPFDFQRRD-XOBRGWDASA-N 0 0 388.851 4.075 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000174301403 822767056 /nfs/dbraw/zinc/76/70/56/822767056.db2.gz DQJGXDZFCHNUME-GHTZIAJQSA-N 0 0 397.475 4.213 20 5 GIBDRN CCOc1cc(NC(=O)N(C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000051586681 822767183 /nfs/dbraw/zinc/76/71/83/822767183.db2.gz HWMWFGNPGLGAHF-UHFFFAOYSA-N 0 0 377.441 4.045 20 5 GIBDRN CCOc1ccc(Cl)c(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c1 ZINC000456043639 822770238 /nfs/dbraw/zinc/77/02/38/822770238.db2.gz JMHZYSHPBFJVAS-UHFFFAOYSA-N 0 0 394.811 4.307 20 5 GIBDRN CCOc1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000456062800 822773159 /nfs/dbraw/zinc/77/31/59/822773159.db2.gz OJXXRNAGHVMISI-UHFFFAOYSA-N 0 0 389.839 4.499 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000456103113 822777860 /nfs/dbraw/zinc/77/78/60/822777860.db2.gz AZDRKGXPVPEQJH-BDAKNGLRSA-N 0 0 395.175 4.160 20 5 GIBDRN CSc1ccc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000174396610 822783929 /nfs/dbraw/zinc/78/39/29/822783929.db2.gz YGEOKHQPUHKJIK-RDTXWAMCSA-N 0 0 386.473 4.227 20 5 GIBDRN Cc1sc(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1C(C)C ZINC000456154657 822784715 /nfs/dbraw/zinc/78/47/15/822784715.db2.gz XIOAKKGZSMZKOG-MRXNPFEDSA-N 0 0 387.505 4.432 20 5 GIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174403434 822785347 /nfs/dbraw/zinc/78/53/47/822785347.db2.gz UGEMVBIRIDWREM-CABCVRRESA-N 0 0 391.518 4.465 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174403458 822785354 /nfs/dbraw/zinc/78/53/54/822785354.db2.gz LRSGJVGDYOIDHT-ZFWWWQNUSA-N 0 0 391.518 4.465 20 5 GIBDRN COCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cc1 ZINC000456171048 822786031 /nfs/dbraw/zinc/78/60/31/822786031.db2.gz CFHOJFSKVREUHF-UHFFFAOYSA-N 0 0 387.436 4.083 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174415218 822787049 /nfs/dbraw/zinc/78/70/49/822787049.db2.gz PZFBHRFGUUCKQR-JQWIXIFHSA-N 0 0 387.299 4.104 20 5 GIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000174415642 822787116 /nfs/dbraw/zinc/78/71/16/822787116.db2.gz MXDLTNFFRZEFDI-VXGBXAGGSA-N 0 0 376.400 4.360 20 5 GIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000174417718 822787317 /nfs/dbraw/zinc/78/73/17/822787317.db2.gz VVXWPZWIMMIADE-WBVHZDCISA-N 0 0 391.537 4.331 20 5 GIBDRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)ccc1OC(F)F ZINC000456189513 822787298 /nfs/dbraw/zinc/78/72/98/822787298.db2.gz OMGHTOTVVOETQQ-UHFFFAOYSA-N 0 0 395.362 4.277 20 5 GIBDRN Cc1c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000185480034 822788996 /nfs/dbraw/zinc/78/89/96/822788996.db2.gz CDNKMNJOJZQMLN-UHFFFAOYSA-N 0 0 385.811 4.064 20 5 GIBDRN CC(=O)c1ccc(Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000052108483 822790643 /nfs/dbraw/zinc/79/06/43/822790643.db2.gz ZOELTVWWHQHWJG-UHFFFAOYSA-N 0 0 390.461 4.254 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCC(F)F ZINC000185514905 822792496 /nfs/dbraw/zinc/79/24/96/822792496.db2.gz JXEWBOSGBPRNKT-CQSZACIVSA-N 0 0 378.375 4.446 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000052218160 822793238 /nfs/dbraw/zinc/79/32/38/822793238.db2.gz FTTMLUMXZQTVTB-LLVKDONJSA-N 0 0 391.374 4.262 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000174476758 822794978 /nfs/dbraw/zinc/79/49/78/822794978.db2.gz QYXYDEWZEQVBJY-GFCCVEGCSA-N 0 0 378.454 4.121 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000185550806 822795686 /nfs/dbraw/zinc/79/56/86/822795686.db2.gz CVEIQXPYXDLOGI-OAHLLOKOSA-N 0 0 389.521 4.276 20 5 GIBDRN CCCCOc1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000052411661 822798388 /nfs/dbraw/zinc/79/83/88/822798388.db2.gz AVHNSAVIQCFRKL-CYBMUJFWSA-N 0 0 387.436 4.054 20 5 GIBDRN COc1ccc(Oc2cc(CNc3nc4sccn4c3[N+](=O)[O-])ccn2)cc1 ZINC000052427233 822799046 /nfs/dbraw/zinc/79/90/46/822799046.db2.gz NOTSQXBHAIVZRZ-UHFFFAOYSA-N 0 0 397.416 4.112 20 5 GIBDRN COc1cccc(OC)c1Oc1ccc(CNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000052467375 822800860 /nfs/dbraw/zinc/80/08/60/822800860.db2.gz IGVZKMQWIDTLKX-UHFFFAOYSA-N 0 0 381.388 4.411 20 5 GIBDRN CC(=O)c1ccc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000052473588 822801172 /nfs/dbraw/zinc/80/11/72/822801172.db2.gz DJKRVMHSQFUTRA-UHFFFAOYSA-N 0 0 389.402 4.152 20 5 GIBDRN CC(C)(C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1[N+](=O)[O-] ZINC000456428079 822806446 /nfs/dbraw/zinc/80/64/46/822806446.db2.gz MMPZIGSODQEMAU-CYBMUJFWSA-N 0 0 378.350 4.093 20 5 GIBDRN CC[C@H]1c2ccsc2CCN1C(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000185656790 822807488 /nfs/dbraw/zinc/80/74/88/822807488.db2.gz PJPXGHBJYPYICT-AWEZNQCLSA-N 0 0 378.425 4.019 20 5 GIBDRN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000052706528 822807878 /nfs/dbraw/zinc/80/78/78/822807878.db2.gz KHHQHWLQBFQBCB-AWEZNQCLSA-N 0 0 382.420 4.237 20 5 GIBDRN CSc1cccc(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000456498517 822810503 /nfs/dbraw/zinc/81/05/03/822810503.db2.gz FQZYXNQEIQCFDD-WCQYABFASA-N 0 0 378.475 4.028 20 5 GIBDRN CC(C)(C(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000456512653 822811754 /nfs/dbraw/zinc/81/17/54/822811754.db2.gz RZDDWUKFRIFLKK-WBMJQRKESA-N 0 0 392.452 4.110 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000456542924 822814400 /nfs/dbraw/zinc/81/44/00/822814400.db2.gz UGMKVFSXFRRMNS-OAHLLOKOSA-N 0 0 380.510 4.110 20 5 GIBDRN CC(C)c1csc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174639435 822815953 /nfs/dbraw/zinc/81/59/53/822815953.db2.gz ZIFATSPUQDBOEU-UHFFFAOYSA-N 0 0 390.465 4.250 20 5 GIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3ccccn3)CC2)s1 ZINC000052936663 822816278 /nfs/dbraw/zinc/81/62/78/822816278.db2.gz FNULRGUPEVTSCU-UHFFFAOYSA-N 0 0 394.500 4.036 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052956719 822816770 /nfs/dbraw/zinc/81/67/70/822816770.db2.gz IPRRLBRDKYSYDR-CQSZACIVSA-N 0 0 396.472 4.497 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456568495 822816907 /nfs/dbraw/zinc/81/69/07/822816907.db2.gz PFBRKPWQMLSLST-SJKOYZFVSA-N 0 0 390.823 4.362 20 5 GIBDRN COc1cccc(-c2noc([C@H](C)NCc3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 ZINC000174659191 822819791 /nfs/dbraw/zinc/81/97/91/822819791.db2.gz IXPACNLLNYTUEB-NSHDSACASA-N 0 0 388.811 4.158 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000174679829 822822293 /nfs/dbraw/zinc/82/22/93/822822293.db2.gz YCRSELYIYPNIHN-UHFFFAOYSA-N 0 0 383.282 4.169 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cnn(CC)c1 ZINC000456686227 822822585 /nfs/dbraw/zinc/82/25/85/822822585.db2.gz BEWSHYSKTDUSTP-ZDUSSCGKSA-N 0 0 376.482 4.194 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccsc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053120209 822822609 /nfs/dbraw/zinc/82/26/09/822822609.db2.gz SUZJTGPFMZULIT-CQSZACIVSA-N 0 0 396.472 4.497 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456690207 822822933 /nfs/dbraw/zinc/82/29/33/822822933.db2.gz KEKHASSNNMVBMY-QGZVFWFLSA-N 0 0 396.472 4.317 20 5 GIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCOC2)C1 ZINC000456704425 822824864 /nfs/dbraw/zinc/82/48/64/822824864.db2.gz YHHDAVQUAPPWBC-NRFANRHFSA-N 0 0 398.484 4.389 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@]2(CCOC2)C1 ZINC000456710571 822825713 /nfs/dbraw/zinc/82/57/13/822825713.db2.gz HXAHRCDBSIUTGT-OAQYLSRUSA-N 0 0 382.416 4.030 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC(OCCc3ccccc3)CC2)cc1OC(F)F ZINC000174704920 822825945 /nfs/dbraw/zinc/82/59/45/822825945.db2.gz ZZHZYLCTJYONHR-UHFFFAOYSA-N 0 0 392.402 4.424 20 5 GIBDRN O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185842047 822826579 /nfs/dbraw/zinc/82/65/79/822826579.db2.gz PQPPRPODHVGXDO-UHFFFAOYSA-N 0 0 387.298 4.018 20 5 GIBDRN CCOc1cc(NC(=O)N([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000174720970 822828216 /nfs/dbraw/zinc/82/82/16/822828216.db2.gz URLCLAVCMIQPGS-GFCCVEGCSA-N 0 0 377.441 4.187 20 5 GIBDRN NC(=O)c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000053314786 822830123 /nfs/dbraw/zinc/83/01/23/822830123.db2.gz QCSBIRYRZDWMKS-UHFFFAOYSA-N 0 0 394.258 4.165 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc(Br)cc1 ZINC000053334640 822830766 /nfs/dbraw/zinc/83/07/66/822830766.db2.gz RRFQVLISDMPUNU-UHFFFAOYSA-N 0 0 397.656 4.212 20 5 GIBDRN COc1ccc(-c2nnc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000185922714 822833891 /nfs/dbraw/zinc/83/38/91/822833891.db2.gz JAYAKYGBFADUGN-NSHDSACASA-N 0 0 399.432 4.005 20 5 GIBDRN C[C@H](C(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000456827975 822835762 /nfs/dbraw/zinc/83/57/62/822835762.db2.gz HHVNLDJQQSFLMT-BBATYDOGSA-N 0 0 378.350 4.479 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185963427 822838161 /nfs/dbraw/zinc/83/81/61/822838161.db2.gz FGXBMADVJZNWAI-UHFFFAOYSA-N 0 0 389.481 4.444 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@]2(CCSC2)C1 ZINC000456871634 822839427 /nfs/dbraw/zinc/83/94/27/822839427.db2.gz OFRORBTWMOXDEE-GOSISDBHSA-N 0 0 389.502 4.078 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1[N+](=O)[O-] ZINC000185976259 822840077 /nfs/dbraw/zinc/84/00/77/822840077.db2.gz REYSIAWEYSPOTO-INIZCTEOSA-N 0 0 384.461 4.320 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1[N+](=O)[O-] ZINC000185998623 822842403 /nfs/dbraw/zinc/84/24/03/822842403.db2.gz WKEGARGUCYHMRF-SFHVURJKSA-N 0 0 379.441 4.231 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccccc1)c1ccncc1 ZINC000186006447 822843305 /nfs/dbraw/zinc/84/33/05/822843305.db2.gz MMKCSUBRKYFLGZ-IBGZPJMESA-N 0 0 396.834 4.232 20 5 GIBDRN COc1cc(C(=O)N(C)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000456953047 822843775 /nfs/dbraw/zinc/84/37/75/822843775.db2.gz QJFRGVRCFDPCAI-UHFFFAOYSA-N 0 0 394.374 4.094 20 5 GIBDRN O=C(CN1CCC[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053717777 822845761 /nfs/dbraw/zinc/84/57/61/822845761.db2.gz TVGTWAHBCVMHIZ-KRWDZBQOSA-N 0 0 377.803 4.163 20 5 GIBDRN Cc1ccccc1OCCCN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053722330 822846308 /nfs/dbraw/zinc/84/63/08/822846308.db2.gz IBAIOHZTQQIESF-INIZCTEOSA-N 0 0 396.447 4.415 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000457036481 822847332 /nfs/dbraw/zinc/84/73/32/822847332.db2.gz LQDJBRLDKFEHMF-GOSISDBHSA-N 0 0 397.475 4.096 20 5 GIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000053794204 822848195 /nfs/dbraw/zinc/84/81/95/822848195.db2.gz HNRUFIBRWZCNSK-GFCCVEGCSA-N 0 0 389.839 4.163 20 5 GIBDRN CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000457072746 822850069 /nfs/dbraw/zinc/85/00/69/822850069.db2.gz LQZGFFUCZSZHRK-UHFFFAOYSA-N 0 0 375.288 4.458 20 5 GIBDRN CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174875953 822849619 /nfs/dbraw/zinc/84/96/19/822849619.db2.gz QGFXVYTVUXNAMG-UHFFFAOYSA-N 0 0 375.856 4.326 20 5 GIBDRN COc1ccc2ccccc2c1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186077200 822849687 /nfs/dbraw/zinc/84/96/87/822849687.db2.gz QYUVKFSZMYNDHD-UHFFFAOYSA-N 0 0 382.441 4.409 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000174903328 822853384 /nfs/dbraw/zinc/85/33/84/822853384.db2.gz PBOSBRIDYICYNK-AWEZNQCLSA-N 0 0 399.447 4.362 20 5 GIBDRN CCc1ccccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005448 822857044 /nfs/dbraw/zinc/85/70/44/822857044.db2.gz RFBQUYIGMQGYJY-SFHVURJKSA-N 0 0 399.447 4.362 20 5 GIBDRN COc1ccc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1[N+](=O)[O-] ZINC000054011307 822858692 /nfs/dbraw/zinc/85/86/92/822858692.db2.gz IZDGQCNUJVFVLV-UHFFFAOYSA-N 0 0 394.431 4.224 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000186188080 822859373 /nfs/dbraw/zinc/85/93/73/822859373.db2.gz LCTRPJYBJFZGOA-SNVBAGLBSA-N 0 0 398.312 4.104 20 5 GIBDRN CC1(C)C[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000457188898 822859481 /nfs/dbraw/zinc/85/94/81/822859481.db2.gz PUMDVZOOBXLINE-KRWDZBQOSA-N 0 0 398.459 4.109 20 5 GIBDRN Cc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000054077843 822861412 /nfs/dbraw/zinc/86/14/12/822861412.db2.gz PUWKSLGAEUULQQ-AWEZNQCLSA-N 0 0 396.472 4.463 20 5 GIBDRN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000457272240 822862802 /nfs/dbraw/zinc/86/28/02/822862802.db2.gz SLWFGPMDTWVEGW-IBGZPJMESA-N 0 0 390.461 4.003 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000186246778 822864504 /nfs/dbraw/zinc/86/45/04/822864504.db2.gz WVKGRFHEFVHJDL-UHFFFAOYSA-N 0 0 399.241 4.148 20 5 GIBDRN CN(Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000054174667 822865946 /nfs/dbraw/zinc/86/59/46/822865946.db2.gz GPUWUJFCGQRSNN-UHFFFAOYSA-N 0 0 375.428 4.479 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000457328491 822866553 /nfs/dbraw/zinc/86/65/53/822866553.db2.gz NDDZSLXCTMFFFL-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569008610 822869300 /nfs/dbraw/zinc/86/93/00/822869300.db2.gz XKNBSNCRRQXAJG-MRXNPFEDSA-N 0 0 397.475 4.208 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457393528 822872639 /nfs/dbraw/zinc/87/26/39/822872639.db2.gz ZQNJOAYPQKUZPD-GOSISDBHSA-N 0 0 398.850 4.421 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1[N+](=O)[O-] ZINC000186298415 822872815 /nfs/dbraw/zinc/87/28/15/822872815.db2.gz XAIXGKGBFSPPRT-UHFFFAOYSA-N 0 0 382.445 4.183 20 5 GIBDRN Cc1ccc2c(c1)N(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000175044593 822873011 /nfs/dbraw/zinc/87/30/11/822873011.db2.gz RJRVWPVKGAKYSI-CYBMUJFWSA-N 0 0 395.440 4.454 20 5 GIBDRN CC[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000569047156 822873278 /nfs/dbraw/zinc/87/32/78/822873278.db2.gz RNGHUAKIMNHYNQ-KRWDZBQOSA-N 0 0 389.839 4.304 20 5 GIBDRN COc1cc(Cc2noc(-c3c(C)oc4ccccc43)n2)c([N+](=O)[O-])c(OC)c1 ZINC000569051084 822873919 /nfs/dbraw/zinc/87/39/19/822873919.db2.gz KBMQWSXILMEVRL-UHFFFAOYSA-N 0 0 395.371 4.307 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000054314808 822875485 /nfs/dbraw/zinc/87/54/85/822875485.db2.gz CFLZWAJINSLQMX-CYBMUJFWSA-N 0 0 397.456 4.283 20 5 GIBDRN CN1C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000569066722 822876139 /nfs/dbraw/zinc/87/61/39/822876139.db2.gz JEFMZXITXAKRPZ-HNNXBMFYSA-N 0 0 394.214 4.037 20 5 GIBDRN Cc1ccc(Br)c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000186332223 822877368 /nfs/dbraw/zinc/87/73/68/822877368.db2.gz HLJXJCHCTFXIIZ-UHFFFAOYSA-N 0 0 383.629 4.249 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000175072036 822877595 /nfs/dbraw/zinc/87/75/95/822877595.db2.gz XLINOJOWBBYIOT-QMMMGPOBSA-N 0 0 385.239 4.170 20 5 GIBDRN COc1ccc([C@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1F ZINC000054368850 822878992 /nfs/dbraw/zinc/87/89/92/822878992.db2.gz AYMSNVNFRBSMKY-LBPRGKRZSA-N 0 0 375.400 4.054 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000186346301 822879458 /nfs/dbraw/zinc/87/94/58/822879458.db2.gz PLGFGQJBPBGPFO-NEPJUHHUSA-N 0 0 384.741 4.085 20 5 GIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000054479139 822889849 /nfs/dbraw/zinc/88/98/49/822889849.db2.gz JQVDMIDHWFMCPC-KBPBESRZSA-N 0 0 384.436 4.006 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000186457339 822898734 /nfs/dbraw/zinc/89/87/34/822898734.db2.gz ZONYZUKLQJIYRC-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN Cc1ccc([C@H](C)NCc2nnc(-c3ccc(Cl)cc3)n2C)cc1[N+](=O)[O-] ZINC000186465638 822899682 /nfs/dbraw/zinc/89/96/82/822899682.db2.gz PDOBHHFWTLQGEJ-ZDUSSCGKSA-N 0 0 385.855 4.203 20 5 GIBDRN CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000175185599 822900325 /nfs/dbraw/zinc/90/03/25/822900325.db2.gz YFCWKAMKOOASNN-CYBMUJFWSA-N 0 0 398.341 4.001 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc(Cc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000186468516 822900314 /nfs/dbraw/zinc/90/03/14/822900314.db2.gz HAZDHPGGYUYKBE-UHFFFAOYSA-N 0 0 386.458 4.011 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3cccnc3C)cc2[N+](=O)[O-])n1 ZINC000175191660 822901321 /nfs/dbraw/zinc/90/13/21/822901321.db2.gz ZCJRHZQEXPJXPH-UHFFFAOYSA-N 0 0 386.458 4.467 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1[N+](=O)[O-] ZINC000054672275 822903523 /nfs/dbraw/zinc/90/35/23/822903523.db2.gz DOULPYAVUAUOEK-UHFFFAOYSA-N 0 0 376.416 4.355 20 5 GIBDRN CC[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000175237248 822911003 /nfs/dbraw/zinc/91/10/03/822911003.db2.gz HNYKQHNEJPDVRO-HNNXBMFYSA-N 0 0 387.383 4.434 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC(C)C ZINC000054774941 822911479 /nfs/dbraw/zinc/91/14/79/822911479.db2.gz JUWGWFPWHAYGNB-GFCCVEGCSA-N 0 0 376.384 4.021 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1nc2ccccc2n1C ZINC000186566707 822914416 /nfs/dbraw/zinc/91/44/16/822914416.db2.gz POLXYUCDZDHKOO-UHFFFAOYSA-N 0 0 382.464 4.294 20 5 GIBDRN O=C(Nc1cc(-c2ccccc2)on1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175253330 822915334 /nfs/dbraw/zinc/91/53/34/822915334.db2.gz DWQRSLKNHVUZJE-UHFFFAOYSA-N 0 0 388.177 4.265 20 5 GIBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1)c1ccncc1 ZINC000054836856 822916606 /nfs/dbraw/zinc/91/66/06/822916606.db2.gz OGITYPUSUMLPIH-UHFFFAOYSA-N 0 0 399.410 4.402 20 5 GIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000175261434 822917986 /nfs/dbraw/zinc/91/79/86/822917986.db2.gz FULPYVPCFFKJHV-WIYYLYMNSA-N 0 0 394.540 4.335 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000186590157 822918889 /nfs/dbraw/zinc/91/88/89/822918889.db2.gz TUZDBBSLXNPBFV-RHSMWYFYSA-N 0 0 386.473 4.227 20 5 GIBDRN CCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000569423587 822921051 /nfs/dbraw/zinc/92/10/51/822921051.db2.gz WGUMOGPAFRKXMW-DLBZAZTESA-N 0 0 397.475 4.273 20 5 GIBDRN Cc1cc(Br)c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000457817782 822922473 /nfs/dbraw/zinc/92/24/73/822922473.db2.gz SXOVIFXIZRUYDJ-UHFFFAOYSA-N 0 0 383.267 4.042 20 5 GIBDRN O=C(NCc1ccc(OC2CCCC2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000569476137 822927673 /nfs/dbraw/zinc/92/76/73/822927673.db2.gz JWKAIXNIQGXOQS-UHFFFAOYSA-N 0 0 379.416 4.328 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000569510107 822931988 /nfs/dbraw/zinc/93/19/88/822931988.db2.gz NDFPNBDXPYUPSX-DOTOQJQBSA-N 0 0 377.448 4.081 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000569510110 822932100 /nfs/dbraw/zinc/93/21/00/822932100.db2.gz NDFPNBDXPYUPSX-WBVHZDCISA-N 0 0 377.448 4.081 20 5 GIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457912196 822933534 /nfs/dbraw/zinc/93/35/34/822933534.db2.gz GVGOJRVOMZROBF-QMMMGPOBSA-N 0 0 385.367 4.050 20 5 GIBDRN CCc1nn(C)c(NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1[N+](=O)[O-] ZINC000569525795 822934396 /nfs/dbraw/zinc/93/43/96/822934396.db2.gz XBIYGJRLBLRJKL-UHFFFAOYSA-N 0 0 376.420 4.046 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000569529022 822934853 /nfs/dbraw/zinc/93/48/53/822934853.db2.gz ZVCOSSNMGBTIRJ-SFHVURJKSA-N 0 0 378.350 4.308 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000175327302 822936110 /nfs/dbraw/zinc/93/61/10/822936110.db2.gz CFAARSXLVDSVFS-LBPRGKRZSA-N 0 0 375.400 4.038 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457931396 822938987 /nfs/dbraw/zinc/93/89/87/822938987.db2.gz KBCQKOUMWOVNPQ-GFCCVEGCSA-N 0 0 381.354 4.150 20 5 GIBDRN Cc1nc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)sc1C(F)(F)F ZINC000569565838 822940785 /nfs/dbraw/zinc/94/07/85/822940785.db2.gz KKOYEGSGFXTTHU-UHFFFAOYSA-N 0 0 386.355 4.205 20 5 GIBDRN Cc1cccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1[N+](=O)[O-] ZINC000186722237 822944455 /nfs/dbraw/zinc/94/44/55/822944455.db2.gz NATLRIAJWYFBAH-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000569630454 822947219 /nfs/dbraw/zinc/94/72/19/822947219.db2.gz UIYBSYJGGVUFTG-LPHOPBHVSA-N 0 0 387.411 4.338 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458028598 822951955 /nfs/dbraw/zinc/95/19/55/822951955.db2.gz NRSYJZQIVYQVEU-IEBWSBKVSA-N 0 0 390.443 4.189 20 5 GIBDRN CCCCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1Cc1ccccc1 ZINC000569681901 822954931 /nfs/dbraw/zinc/95/49/31/822954931.db2.gz YJPWEEZGHBVICN-UHFFFAOYSA-N 0 0 391.475 4.140 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1 ZINC000175405935 822961032 /nfs/dbraw/zinc/96/10/32/822961032.db2.gz HZXQNZRFCARPNW-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(COc2ccccc2)CC1 ZINC000055425574 822961305 /nfs/dbraw/zinc/96/13/05/822961305.db2.gz VRMWEEFSCNXFMZ-UHFFFAOYSA-N 0 0 395.459 4.100 20 5 GIBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCCc2cc(F)cc(F)c21 ZINC000055431618 822962496 /nfs/dbraw/zinc/96/24/96/822962496.db2.gz XMGNTSKWKQQBAW-UHFFFAOYSA-N 0 0 397.175 4.229 20 5 GIBDRN CC1(C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccs1 ZINC000569754089 822964147 /nfs/dbraw/zinc/96/41/47/822964147.db2.gz UPLHWOWMYRNOKL-GOSISDBHSA-N 0 0 398.488 4.473 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000569756831 822964380 /nfs/dbraw/zinc/96/43/80/822964380.db2.gz OAGOVFPVXUYPAE-UHFFFAOYSA-N 0 0 381.407 4.164 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000175430045 822966638 /nfs/dbraw/zinc/96/66/38/822966638.db2.gz LNPZNQBQUOVLOF-HNAYVOBHSA-N 0 0 388.851 4.454 20 5 GIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055464539 822966675 /nfs/dbraw/zinc/96/66/75/822966675.db2.gz GJICDFICGDKILY-NWDGAFQWSA-N 0 0 393.237 4.002 20 5 GIBDRN C[C@H](NC(=O)CCOc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000055464755 822966827 /nfs/dbraw/zinc/96/68/27/822966827.db2.gz MQHTWGIWHWLNML-LBPRGKRZSA-N 0 0 393.237 4.004 20 5 GIBDRN C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000055465623 822966845 /nfs/dbraw/zinc/96/68/45/822966845.db2.gz QKKBMQPUBHSVFH-ZDUSSCGKSA-N 0 0 384.363 4.397 20 5 GIBDRN C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000055465791 822966870 /nfs/dbraw/zinc/96/68/70/822966870.db2.gz OHVMFZNSCGIMIA-ZDUSSCGKSA-N 0 0 385.420 4.433 20 5 GIBDRN COc1cc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)cc([N+](=O)[O-])c1OC ZINC000458192120 822966889 /nfs/dbraw/zinc/96/68/89/822966889.db2.gz OQXJFHSRGHOYHM-SFHVURJKSA-N 0 0 376.453 4.043 20 5 GIBDRN CC(C)c1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000055467020 822967053 /nfs/dbraw/zinc/96/70/53/822967053.db2.gz KDSGMYNEKMUTAY-HNNXBMFYSA-N 0 0 378.432 4.395 20 5 GIBDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466321 822967079 /nfs/dbraw/zinc/96/70/79/822967079.db2.gz NVFFURFRHBVRCB-LBPRGKRZSA-N 0 0 389.477 4.440 20 5 GIBDRN C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000055467247 822967323 /nfs/dbraw/zinc/96/73/23/822967323.db2.gz AXRTXNZMNWVFCM-CQSZACIVSA-N 0 0 381.457 4.062 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000458254561 822974000 /nfs/dbraw/zinc/97/40/00/822974000.db2.gz JJKGMUZLWLAHAS-AHEZYBDSSA-N 0 0 380.448 4.081 20 5 GIBDRN CC(C)(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Cl)c1F ZINC000186891780 822975487 /nfs/dbraw/zinc/97/54/87/822975487.db2.gz MYYXUIHMBFLFMF-UHFFFAOYSA-N 0 0 390.802 4.462 20 5 GIBDRN CCCC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 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20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000574666878 823795045 /nfs/dbraw/zinc/79/50/45/823795045.db2.gz PVAGFJXKTAZVHW-GOSISDBHSA-N 0 0 386.791 4.208 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)c1 ZINC000164371276 823798863 /nfs/dbraw/zinc/79/88/63/823798863.db2.gz JFKBOHLICTXDCI-MJGOQNOKSA-N 0 0 386.473 4.184 20 5 GIBDRN CC(C)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350575 823799216 /nfs/dbraw/zinc/79/92/16/823799216.db2.gz YJBQUYFHKFCCCN-UHFFFAOYSA-N 0 0 395.381 4.463 20 5 GIBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000126151131 823800464 /nfs/dbraw/zinc/80/04/64/823800464.db2.gz RRRGNZOVRHHVOO-AWEZNQCLSA-N 0 0 389.249 4.062 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000191874651 823801092 /nfs/dbraw/zinc/80/10/92/823801092.db2.gz NAKURHNBSBSTCR-UHFFFAOYSA-N 0 0 390.237 4.256 20 5 GIBDRN CC(=O)c1cc(N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] 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Cc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cc1 ZINC000005862287 209123908 /nfs/dbraw/zinc/12/39/08/209123908.db2.gz MZDRXAPMLVOBSA-UHFFFAOYSA-N 0 0 385.401 4.112 20 5 GIBDRN CC(C)c1ccc(-n2ccnc2SCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000016121160 207073088 /nfs/dbraw/zinc/07/30/88/207073088.db2.gz OXVUFQSZYMRQHW-UHFFFAOYSA-N 0 0 396.472 4.295 20 5 GIBDRN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc([N+](=O)[O-])ccc1F ZINC000019163249 207106195 /nfs/dbraw/zinc/10/61/95/207106195.db2.gz LKJXVRFAMAKPNP-UHFFFAOYSA-N 0 0 384.363 4.376 20 5 GIBDRN O=c1nc(Cc2ccc([N+](=O)[O-])cc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000020368739 207190562 /nfs/dbraw/zinc/19/05/62/207190562.db2.gz KWPXFTPKWRZABS-UHFFFAOYSA-N 0 0 381.388 4.290 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000067373740 207214398 /nfs/dbraw/zinc/21/43/98/207214398.db2.gz BKPREJRRWLISGW-SFHVURJKSA-N 0 0 391.811 4.106 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000067373742 207215631 /nfs/dbraw/zinc/21/56/31/207215631.db2.gz BKPREJRRWLISGW-GOSISDBHSA-N 0 0 391.811 4.106 20 5 GIBDRN CC(C)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000026766264 207319223 /nfs/dbraw/zinc/31/92/23/207319223.db2.gz BDXAKYRMEASRCN-UHFFFAOYSA-N 0 0 383.404 4.045 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 ZINC000030763544 207373072 /nfs/dbraw/zinc/37/30/72/207373072.db2.gz ICZCXZFJFPCTCY-UHFFFAOYSA-N 0 0 395.371 4.091 20 5 GIBDRN COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] ZINC000005578882 220884333 /nfs/dbraw/zinc/88/43/33/220884333.db2.gz XPJUZNVGTNQSHW-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN Cc1cc(C(=O)N(c2ccc(Br)cn2)C(C)C)ccc1[N+](=O)[O-] ZINC000055796492 823045257 /nfs/dbraw/zinc/04/52/57/823045257.db2.gz JFYSBHJHDJEKPD-UHFFFAOYSA-N 0 0 378.226 4.116 20 5 GIBDRN CC[C@H](NC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000458486707 823046600 /nfs/dbraw/zinc/04/66/00/823046600.db2.gz CVOZWNOTAWMMIN-ZWKOTPCHSA-N 0 0 391.855 4.074 20 5 GIBDRN CCOc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000055805187 823046900 /nfs/dbraw/zinc/04/69/00/823046900.db2.gz JABGGVCPECNENR-UHFFFAOYSA-N 0 0 383.448 4.157 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000175822876 823048257 /nfs/dbraw/zinc/04/82/57/823048257.db2.gz FDWRIKIRLBPULQ-UHFFFAOYSA-N 0 0 388.851 4.317 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855425 823054080 /nfs/dbraw/zinc/05/40/80/823054080.db2.gz FELZQIGKPHBTNG-QFIPXVFZSA-N 0 0 393.418 4.360 20 5 GIBDRN O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(F)cc1Cl ZINC000055843358 823052005 /nfs/dbraw/zinc/05/20/05/823052005.db2.gz IDRMTJNYAXQMEL-UHFFFAOYSA-N 0 0 389.717 4.039 20 5 GIBDRN Cc1coc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)ccc2C)n1 ZINC000120723793 823052782 /nfs/dbraw/zinc/05/27/82/823052782.db2.gz UXSWQVALYJZTNW-UHFFFAOYSA-N 0 0 385.351 4.023 20 5 GIBDRN COc1cc(Cc2noc(C3(c4ccccc4)CCC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000570588713 823058196 /nfs/dbraw/zinc/05/81/96/823058196.db2.gz ZWANSHQYKYIJEW-UHFFFAOYSA-N 0 0 395.415 4.056 20 5 GIBDRN O=c1c2c(-c3ccccc3)csc2ncn1CCc1ccc([N+](=O)[O-])cc1 ZINC000570718355 823075497 /nfs/dbraw/zinc/07/54/97/823075497.db2.gz XBFWCPYAVDKVSX-UHFFFAOYSA-N 0 0 377.425 4.276 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055998684 823076689 /nfs/dbraw/zinc/07/66/89/823076689.db2.gz RSILAAUVPPHCDN-IBGZPJMESA-N 0 0 397.450 4.181 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055998686 823076724 /nfs/dbraw/zinc/07/67/24/823076724.db2.gz RSILAAUVPPHCDN-LJQANCHMSA-N 0 0 397.450 4.181 20 5 GIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000570735769 823078554 /nfs/dbraw/zinc/07/85/54/823078554.db2.gz XMABFWNSARPVSD-XFXZXTDPSA-N 0 0 393.403 4.345 20 5 GIBDRN COc1ccccc1[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120885652 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QEEUKKZSWYZVAT-UHFFFAOYSA-N 0 0 380.404 4.231 20 5 GIBDRN COCCCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000056147473 823088352 /nfs/dbraw/zinc/08/83/52/823088352.db2.gz HHAMUDFLJXUHHI-CQSZACIVSA-N 0 0 390.461 4.129 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccc(F)cc3F)C3CC3)o2)cc1 ZINC000120968207 823094715 /nfs/dbraw/zinc/09/47/15/823094715.db2.gz VZCUHZZIVVZVEV-UHFFFAOYSA-N 0 0 386.358 4.088 20 5 GIBDRN CC(C)(C)OCc1cc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC000187611839 823097852 /nfs/dbraw/zinc/09/78/52/823097852.db2.gz YJVLDBYYFWDDAN-UHFFFAOYSA-N 0 0 389.452 4.125 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(F)cc(F)cc1F ZINC000458836513 823095246 /nfs/dbraw/zinc/09/52/46/823095246.db2.gz MPACQVSCALMHMV-UHFFFAOYSA-N 0 0 381.354 4.132 20 5 GIBDRN COCCOc1ccccc1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000570852302 823095590 /nfs/dbraw/zinc/09/55/90/823095590.db2.gz UCBOMDTVGVAGON-QGZVFWFLSA-N 0 0 384.354 4.013 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000120990052 823098466 /nfs/dbraw/zinc/09/84/66/823098466.db2.gz HNLORSXLTBAVJM-AWEZNQCLSA-N 0 0 390.509 4.423 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000120990218 823098481 /nfs/dbraw/zinc/09/84/81/823098481.db2.gz HNLORSXLTBAVJM-CQSZACIVSA-N 0 0 390.509 4.423 20 5 GIBDRN C[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000570872419 823099485 /nfs/dbraw/zinc/09/94/85/823099485.db2.gz RKOSPCCYJWJYBL-CYBMUJFWSA-N 0 0 390.386 4.047 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000570872371 823099556 /nfs/dbraw/zinc/09/95/56/823099556.db2.gz FNFHBBHTPPAPBU-JTQLQIEISA-N 0 0 386.301 4.417 20 5 GIBDRN COc1ccc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000056207784 823103126 /nfs/dbraw/zinc/10/31/26/823103126.db2.gz AKLWBZFQTLLPHK-OAQYLSRUSA-N 0 0 391.427 4.073 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2sccc2Br)cc1[N+](=O)[O-] ZINC000176038328 823103168 /nfs/dbraw/zinc/10/31/68/823103168.db2.gz XCRBJTLTPRNECS-JTQLQIEISA-N 0 0 398.282 4.288 20 5 GIBDRN Cc1ccccc1[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000458889417 823102417 /nfs/dbraw/zinc/10/24/17/823102417.db2.gz ODVPZTYILBYBPG-GQIGUUNPSA-N 0 0 383.448 4.136 20 5 GIBDRN CC(C)C(=O)Nc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000121018285 823103644 /nfs/dbraw/zinc/10/36/44/823103644.db2.gz NBYTVFOKDCZONF-UHFFFAOYSA-N 0 0 396.447 4.386 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187651192 823105506 /nfs/dbraw/zinc/10/55/06/823105506.db2.gz GPDURMWVHWBFLU-KRWDZBQOSA-N 0 0 378.494 4.127 20 5 GIBDRN C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc2O1 ZINC000458941498 823109273 /nfs/dbraw/zinc/10/92/73/823109273.db2.gz HIERCBWZYHGWNS-AUUYWEPGSA-N 0 0 381.432 4.181 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000176069104 823111686 /nfs/dbraw/zinc/11/16/86/823111686.db2.gz CHIMOPIPFNVFAG-RDJZCZTQSA-N 0 0 389.452 4.270 20 5 GIBDRN CC(C)c1ncc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)s1 ZINC000121067529 823112232 /nfs/dbraw/zinc/11/22/32/823112232.db2.gz OCQVGNCHJSTLSR-WUXMJOGZSA-N 0 0 377.809 4.173 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056251692 823113047 /nfs/dbraw/zinc/11/30/47/823113047.db2.gz YLWCEJHSKSRPDP-KRWDZBQOSA-N 0 0 389.839 4.080 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000121106375 823119733 /nfs/dbraw/zinc/11/97/33/823119733.db2.gz CQPYSVLWEJKZRD-VIFPVBQESA-N 0 0 386.351 4.455 20 5 GIBDRN Cc1cc(Br)oc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000056288778 823122075 /nfs/dbraw/zinc/12/20/75/823122075.db2.gz VVHJETWVVIJCSX-UHFFFAOYSA-N 0 0 381.226 4.310 20 5 GIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000459067784 823123267 /nfs/dbraw/zinc/12/32/67/823123267.db2.gz KXXLYRNHPGYKID-XJKSGUPXSA-N 0 0 389.477 4.111 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000176123561 823128240 /nfs/dbraw/zinc/12/82/40/823128240.db2.gz SUOOYKITWVPTNE-IERDGZPVSA-N 0 0 390.443 4.448 20 5 GIBDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000056349293 823133412 /nfs/dbraw/zinc/13/34/12/823133412.db2.gz UDPWOWQUADMMOD-HNNXBMFYSA-N 0 0 395.415 4.276 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCCc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000176147404 823136069 /nfs/dbraw/zinc/13/60/69/823136069.db2.gz NOZXWABKPHZTBM-ZDUSSCGKSA-N 0 0 390.509 4.260 20 5 GIBDRN O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc2ccccc2c2cccnc12 ZINC000176152098 823137003 /nfs/dbraw/zinc/13/70/03/823137003.db2.gz IZJQLIMXVYKCLH-UHFFFAOYSA-N 0 0 384.414 4.376 20 5 GIBDRN COC(=O)c1cccc(CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)n1 ZINC000571132295 823138363 /nfs/dbraw/zinc/13/83/63/823138363.db2.gz VWOIPJWTLDVVDQ-UHFFFAOYSA-N 0 0 378.388 4.132 20 5 GIBDRN COc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c([N+](=O)[O-])cc1OC ZINC000056378958 823139681 /nfs/dbraw/zinc/13/96/81/823139681.db2.gz DZOVWQAGFLNCGS-UHFFFAOYSA-N 0 0 390.823 4.075 20 5 GIBDRN CC1CC[NH+]([C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000571169521 823143454 /nfs/dbraw/zinc/14/34/54/823143454.db2.gz SUVCKDNSFRWQSB-OAQYLSRUSA-N 0 0 397.475 4.107 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000187841550 823144614 /nfs/dbraw/zinc/14/46/14/823144614.db2.gz ILKKUURKRJLABS-AWEZNQCLSA-N 0 0 394.431 4.183 20 5 GIBDRN Cc1nc(-c2ccc(CCNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000056406139 823144846 /nfs/dbraw/zinc/14/48/46/823144846.db2.gz JMKUTEPBVKKBIX-UHFFFAOYSA-N 0 0 396.472 4.069 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000187847140 823145497 /nfs/dbraw/zinc/14/54/97/823145497.db2.gz CWPUQOKOAMDYKJ-AWEZNQCLSA-N 0 0 394.431 4.183 20 5 GIBDRN Cc1ccc(-c2noc([C@@H](c3ccccc3)N3CCSCC3)n2)cc1[N+](=O)[O-] ZINC000571202777 823147742 /nfs/dbraw/zinc/14/77/42/823147742.db2.gz NMGILUNXRLBRFV-GOSISDBHSA-N 0 0 396.472 4.091 20 5 GIBDRN CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000176185831 823147930 /nfs/dbraw/zinc/14/79/30/823147930.db2.gz WKTILGKKNQTYTD-UHFFFAOYSA-N 0 0 379.825 4.274 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1)[C@H]1C[C@@H]1C ZINC000571216746 823149912 /nfs/dbraw/zinc/14/99/12/823149912.db2.gz XHEBWHULEQZQMS-RDXCRGQUSA-N 0 0 399.422 4.237 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CCC(C(F)F)CC1 ZINC000459243577 823150463 /nfs/dbraw/zinc/15/04/63/823150463.db2.gz GDUGDSGTTXVOQY-UHFFFAOYSA-N 0 0 379.310 4.142 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1OC ZINC000121281987 823154259 /nfs/dbraw/zinc/15/42/59/823154259.db2.gz VJCRLKIBYZPPQI-SJLPKXTDSA-N 0 0 398.459 4.143 20 5 GIBDRN COc1ccc(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1[N+](=O)[O-] ZINC000571250885 823155621 /nfs/dbraw/zinc/15/56/21/823155621.db2.gz AEDYQXOYNJNKMB-UHFFFAOYSA-N 0 0 383.257 4.478 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2ccc(CNc3ccccc3N3CCC(O)CC3)o2)c1 ZINC000187914870 823157297 /nfs/dbraw/zinc/15/72/97/823157297.db2.gz JBIIXGBQHRGFBX-UHFFFAOYSA-N 0 0 393.443 4.428 20 5 GIBDRN Cc1oc(-c2cccs2)nc1CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000121300765 823158624 /nfs/dbraw/zinc/15/86/24/823158624.db2.gz KJUVCIMBLVQKIF-UHFFFAOYSA-N 0 0 392.458 4.043 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)c1ccccn1 ZINC000121303033 823159340 /nfs/dbraw/zinc/15/93/40/823159340.db2.gz DPZXYLKLPWIEMO-UHFFFAOYSA-N 0 0 386.411 4.247 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000056527755 823162343 /nfs/dbraw/zinc/16/23/43/823162343.db2.gz RAWCARAGNRNAKU-AWEZNQCLSA-N 0 0 383.326 4.419 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000056545923 823166119 /nfs/dbraw/zinc/16/61/19/823166119.db2.gz FSZHYBDSMXNEJQ-IAGOWNOFSA-N 0 0 393.802 4.429 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000056530706 823163215 /nfs/dbraw/zinc/16/32/15/823163215.db2.gz VEJVRDLFBPXDPP-UHFFFAOYSA-N 0 0 393.447 4.390 20 5 GIBDRN Cc1ccc(-c2noc([C@H](C)N3CCOc4ccc([N+](=O)[O-])cc4C3)n2)cc1F ZINC000571333257 823166858 /nfs/dbraw/zinc/16/68/58/823166858.db2.gz AQGDMQFEKAHKPV-ZDUSSCGKSA-N 0 0 398.394 4.048 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CNc3ccccc3)cc2)c1 ZINC000176284937 823172417 /nfs/dbraw/zinc/17/24/17/823172417.db2.gz VTFNVJVIQCZFOA-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN CCOc1ccccc1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121400224 823177588 /nfs/dbraw/zinc/17/75/88/823177588.db2.gz YSTJQVHWZNUTSU-UHFFFAOYSA-N 0 0 383.429 4.394 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2coc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000176327376 823182666 /nfs/dbraw/zinc/18/26/66/823182666.db2.gz RGTBYVTZUIUWPQ-CQSZACIVSA-N 0 0 380.404 4.119 20 5 GIBDRN CC(C)(C)c1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000121427883 823182694 /nfs/dbraw/zinc/18/26/94/823182694.db2.gz RGMYNMFJVPBHNH-UHFFFAOYSA-N 0 0 398.282 4.041 20 5 GIBDRN COc1cc(F)cc2sc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])nc21 ZINC000176346064 823188557 /nfs/dbraw/zinc/18/85/57/823188557.db2.gz HDGAAMBYUOWQKX-UHFFFAOYSA-N 0 0 381.772 4.258 20 5 GIBDRN CSc1cccc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1[N+](=O)[O-] ZINC000188115440 823188595 /nfs/dbraw/zinc/18/85/95/823188595.db2.gz GOAKQFRIMBPMAP-UHFFFAOYSA-N 0 0 377.491 4.101 20 5 GIBDRN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121436661 823184438 /nfs/dbraw/zinc/18/44/38/823184438.db2.gz XIRCZIVUAPYRND-UHFFFAOYSA-N 0 0 396.374 4.104 20 5 GIBDRN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1NC(=O)CC(C)C ZINC000121447281 823186042 /nfs/dbraw/zinc/18/60/42/823186042.db2.gz AFVYOUQMQIBMLV-UHFFFAOYSA-N 0 0 395.459 4.086 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121467335 823189762 /nfs/dbraw/zinc/18/97/62/823189762.db2.gz UGCIUCHAXFMPNM-HXUWFJFHSA-N 0 0 397.431 4.127 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(CC)c([N+](=O)[O-])c3)c2)n1 ZINC000176372964 823193254 /nfs/dbraw/zinc/19/32/54/823193254.db2.gz XYAOAXKSJWBBLK-UHFFFAOYSA-N 0 0 380.404 4.330 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176387229 823196203 /nfs/dbraw/zinc/19/62/03/823196203.db2.gz PBYMANWIPUPZMG-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN COc1cc(-c2nc(Cc3nccc4ccccc43)no2)cc([N+](=O)[O-])c1C ZINC000571564154 823201049 /nfs/dbraw/zinc/20/10/49/823201049.db2.gz GTLXVURRTIVDSL-UHFFFAOYSA-N 0 0 376.372 4.101 20 5 GIBDRN C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnc2ccccc2c1 ZINC000121507275 823196870 /nfs/dbraw/zinc/19/68/70/823196870.db2.gz KATOQKVZNOZWHE-CYBMUJFWSA-N 0 0 375.384 4.471 20 5 GIBDRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000121533076 823201233 /nfs/dbraw/zinc/20/12/33/823201233.db2.gz SGVWGXQAOONFKK-RDTXWAMCSA-N 0 0 390.505 4.317 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1(c2cccnc2)CCCC1 ZINC000571559427 823200087 /nfs/dbraw/zinc/20/00/87/823200087.db2.gz NCNILPXLYCAMFN-UHFFFAOYSA-N 0 0 379.338 4.459 20 5 GIBDRN C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056726693 823200925 /nfs/dbraw/zinc/20/09/25/823200925.db2.gz QMQVYVZWLOPBCV-MRXNPFEDSA-N 0 0 383.448 4.156 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(OCc2ccccn2)c1 ZINC000176421381 823204485 /nfs/dbraw/zinc/20/44/85/823204485.db2.gz LGGXXCPMDJZXEV-UHFFFAOYSA-N 0 0 377.400 4.140 20 5 GIBDRN O=C(CCSCc1ccccc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571597200 823205278 /nfs/dbraw/zinc/20/52/78/823205278.db2.gz FTUMUPWMGSSHAZ-UHFFFAOYSA-N 0 0 383.473 4.058 20 5 GIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000121560291 823205867 /nfs/dbraw/zinc/20/58/67/823205867.db2.gz WTTLHKPHWPTTQG-JTQLQIEISA-N 0 0 386.301 4.009 20 5 GIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccnc1C(F)(F)F ZINC000188272062 823212450 /nfs/dbraw/zinc/21/24/50/823212450.db2.gz ITOUAPGVRQLENE-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN O=C(Nc1cccnc1-c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121618957 823217169 /nfs/dbraw/zinc/21/71/69/823217169.db2.gz BCDBLNYYDARJPR-UHFFFAOYSA-N 0 0 385.383 4.095 20 5 GIBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ncccc1OCC(F)(F)F ZINC000176487184 823219017 /nfs/dbraw/zinc/21/90/17/823219017.db2.gz BWKXMPKQZYZITI-UHFFFAOYSA-N 0 0 390.701 4.112 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1 ZINC000121657550 823224022 /nfs/dbraw/zinc/22/40/22/823224022.db2.gz YMVGTFAGZJERLC-AWEZNQCLSA-N 0 0 391.431 4.427 20 5 GIBDRN COc1ccccc1C1(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CCC1 ZINC000188354576 823224668 /nfs/dbraw/zinc/22/46/68/823224668.db2.gz QTFGUEIAIBWPOL-UHFFFAOYSA-N 0 0 386.473 4.177 20 5 GIBDRN O=C(NCc1ccc2ccccc2n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000571721048 823224840 /nfs/dbraw/zinc/22/48/40/823224840.db2.gz CNEIPPVGMBVMQE-UHFFFAOYSA-N 0 0 375.306 4.092 20 5 GIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000571722017 823224916 /nfs/dbraw/zinc/22/49/16/823224916.db2.gz VIJRTHLOVVFWPI-AWEZNQCLSA-N 0 0 394.349 4.430 20 5 GIBDRN COc1ccc(CNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000409487148 823232400 /nfs/dbraw/zinc/23/24/00/823232400.db2.gz VMDJQNVYGPZDQB-LLVKDONJSA-N 0 0 382.338 4.042 20 5 GIBDRN CCCCC1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409492817 823233793 /nfs/dbraw/zinc/23/37/93/823233793.db2.gz FXVPWOKMRCXWSU-UHFFFAOYSA-N 0 0 384.480 4.474 20 5 GIBDRN CCOc1cc(NC(=O)c2coc(Br)c2)c([N+](=O)[O-])cc1OCC ZINC000121707397 823234531 /nfs/dbraw/zinc/23/45/31/823234531.db2.gz GZUVBHAXSRSHNF-UHFFFAOYSA-N 0 0 399.197 4.000 20 5 GIBDRN O=C(Nc1cccnc1C(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571803383 823236496 /nfs/dbraw/zinc/23/64/96/823236496.db2.gz VGLTWWNAZZDJEE-UHFFFAOYSA-N 0 0 379.216 4.280 20 5 GIBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000121727102 823238080 /nfs/dbraw/zinc/23/80/80/823238080.db2.gz RRHFGTAPVAVLIC-UHFFFAOYSA-N 0 0 398.806 4.063 20 5 GIBDRN CN(Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C ZINC000057083125 823247617 /nfs/dbraw/zinc/24/76/17/823247617.db2.gz YDVXCPDIYHVHEX-UHFFFAOYSA-N 0 0 399.447 4.143 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057130005 823252579 /nfs/dbraw/zinc/25/25/79/823252579.db2.gz UGSNFZDQRZLIAE-OAHLLOKOSA-N 0 0 381.354 4.430 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000571898754 823250961 /nfs/dbraw/zinc/25/09/61/823250961.db2.gz QCMNYTNPGUYLTF-UHFFFAOYSA-N 0 0 394.431 4.357 20 5 GIBDRN O=C(Nc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057136508 823253415 /nfs/dbraw/zinc/25/34/15/823253415.db2.gz QHYPTNGIFKHFGR-UHFFFAOYSA-N 0 0 393.365 4.469 20 5 GIBDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000057142070 823254143 /nfs/dbraw/zinc/25/41/43/823254143.db2.gz FEMXOHFSOZTFGT-SNVBAGLBSA-N 0 0 388.367 4.190 20 5 GIBDRN O=C(NCc1nccn1CCCc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000176638416 823255048 /nfs/dbraw/zinc/25/50/48/823255048.db2.gz RKYUQBXARVFFCN-UHFFFAOYSA-N 0 0 398.850 4.008 20 5 GIBDRN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000571926473 823255276 /nfs/dbraw/zinc/25/52/76/823255276.db2.gz QZTAVHKVNXLIOG-UHFFFAOYSA-N 0 0 383.448 4.281 20 5 GIBDRN Cc1c(C(=O)N2c3ccccc3SC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176656452 823258835 /nfs/dbraw/zinc/25/88/35/823258835.db2.gz VYISOVHQWQAJAR-JTQLQIEISA-N 0 0 387.417 4.261 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001982105 817379140 /nfs/dbraw/zinc/37/91/40/817379140.db2.gz YGOJQCICODULMW-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000571952987 823259428 /nfs/dbraw/zinc/25/94/28/823259428.db2.gz OKTVKFGCAQUDHT-MRXNPFEDSA-N 0 0 377.876 4.022 20 5 GIBDRN COc1cccc2[nH]cc(Cc3noc([C@@H](C)c4cccc([N+](=O)[O-])c4)n3)c21 ZINC000571960401 823260746 /nfs/dbraw/zinc/26/07/46/823260746.db2.gz QKAUWEOHHGNSTB-LBPRGKRZSA-N 0 0 378.388 4.210 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000003387422 817446630 /nfs/dbraw/zinc/44/66/30/817446630.db2.gz LUCIMLAKOMROHG-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003386621 817446748 /nfs/dbraw/zinc/44/67/48/817446748.db2.gz FXIJOYJRHGPYBE-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000003446594 817457493 /nfs/dbraw/zinc/45/74/93/817457493.db2.gz JVOYJRBGENZNLU-IUODEOHRSA-N 0 0 390.823 4.312 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000003467012 817462302 /nfs/dbraw/zinc/46/23/02/817462302.db2.gz RQAFYTGAXYYRFH-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000571980876 823264807 /nfs/dbraw/zinc/26/48/07/823264807.db2.gz ABAIKKGMTQDRDG-OCCSQVGLSA-N 0 0 388.807 4.043 20 5 GIBDRN 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CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000460233070 823325506 /nfs/dbraw/zinc/32/55/06/823325506.db2.gz UXGHBHKBMDAFOJ-QAPCUYQASA-N 0 0 377.448 4.256 20 5 GIBDRN CCc1ccccc1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)NC1=S ZINC000015282323 818306122 /nfs/dbraw/zinc/30/61/22/818306122.db2.gz CQVOVXOIYYALCE-NTEUORMPSA-N 0 0 387.848 4.073 20 5 GIBDRN Cc1cnc([C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)s1 ZINC000122249935 823327847 /nfs/dbraw/zinc/32/78/47/823327847.db2.gz ZQGXGKBAAOPROB-QGZVFWFLSA-N 0 0 386.477 4.185 20 5 GIBDRN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC1=O ZINC000015502497 818331110 /nfs/dbraw/zinc/33/11/10/818331110.db2.gz SVOAXLVOFQPXBA-HNNXBMFYSA-N 0 0 388.836 4.329 20 5 GIBDRN CCOc1ccc(OCC)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000015581386 818342182 /nfs/dbraw/zinc/34/21/82/818342182.db2.gz ACKWWJOSVZKTGW-UHFFFAOYSA-N 0 0 376.434 4.366 20 5 GIBDRN CNc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000015626646 818350357 /nfs/dbraw/zinc/35/03/57/818350357.db2.gz QJDKHACSXQLREC-OAHLLOKOSA-N 0 0 382.445 4.224 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000015798273 818368969 /nfs/dbraw/zinc/36/89/69/818368969.db2.gz XWEBWHUSWJCABM-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN CC1(C)CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1c1ccccc1 ZINC000122279486 823331687 /nfs/dbraw/zinc/33/16/87/823331687.db2.gz PHPQEXAHPVJQEJ-LJQANCHMSA-N 0 0 390.443 4.046 20 5 GIBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/c1cccs1 ZINC000016014871 818384804 /nfs/dbraw/zinc/38/48/04/818384804.db2.gz DAAULDUGYCFFNF-CMDGGOBGSA-N 0 0 398.444 4.157 20 5 GIBDRN C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1cccnc1Cl ZINC000016054168 818387283 /nfs/dbraw/zinc/38/72/83/818387283.db2.gz CZPIXQLZDBMCNJ-QMMMGPOBSA-N 0 0 394.865 4.372 20 5 GIBDRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016142265 818397486 /nfs/dbraw/zinc/39/74/86/818397486.db2.gz DUHDSLLZZKALFK-UHFFFAOYSA-N 0 0 391.427 4.131 20 5 GIBDRN COCc1nc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000176957776 823334362 /nfs/dbraw/zinc/33/43/62/823334362.db2.gz RJCRGWOJSURJJV-UHFFFAOYSA-N 0 0 376.756 4.180 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000016196884 818405528 /nfs/dbraw/zinc/40/55/28/818405528.db2.gz HTQREKZDBODLKB-UHFFFAOYSA-N 0 0 385.441 4.235 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000016197206 818405613 /nfs/dbraw/zinc/40/56/13/818405613.db2.gz OVOXNVZVCHZTJG-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN CCCN(CC1CCCCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821427 823337560 /nfs/dbraw/zinc/33/75/60/823337560.db2.gz USNYTCPGRONHTN-UHFFFAOYSA-N 0 0 384.480 4.068 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCSc2c(F)cccc21 ZINC000016300594 818418464 /nfs/dbraw/zinc/41/84/64/818418464.db2.gz YMAXHSCKMHZEMS-HNNXBMFYSA-N 0 0 378.450 4.179 20 5 GIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000016335093 818426014 /nfs/dbraw/zinc/42/60/14/818426014.db2.gz PYOOOZDLCMIPFY-UHFFFAOYSA-N 0 0 376.438 4.490 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1Br ZINC000016360429 818429315 /nfs/dbraw/zinc/42/93/15/818429315.db2.gz VXUJRCZXRLCIPI-UHFFFAOYSA-N 0 0 397.250 4.097 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000409888487 823336318 /nfs/dbraw/zinc/33/63/18/823336318.db2.gz SPLBJYQRJSURSC-UONOGXRCSA-N 0 0 394.258 4.233 20 5 GIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000016443113 818442881 /nfs/dbraw/zinc/44/28/81/818442881.db2.gz LQDWFLOYECVNJN-UHFFFAOYSA-N 0 0 382.247 4.362 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000016641732 818461728 /nfs/dbraw/zinc/46/17/28/818461728.db2.gz SBJHGOBFWDRIGC-LLVKDONJSA-N 0 0 377.491 4.383 20 5 GIBDRN O=[N+]([O-])c1ccccc1Sc1ccccc1-c1nc(Cc2ccncn2)no1 ZINC000572442762 823339923 /nfs/dbraw/zinc/33/99/23/823339923.db2.gz CYCNGDDPRLXHQF-UHFFFAOYSA-N 0 0 391.412 4.177 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000176976886 823340354 /nfs/dbraw/zinc/34/03/54/823340354.db2.gz RDVQJWCVYJJCTR-CYBMUJFWSA-N 0 0 382.420 4.061 20 5 GIBDRN CC(C)(C)c1ccc(OCCCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000017482728 818517261 /nfs/dbraw/zinc/51/72/61/818517261.db2.gz NIAAJUFRTSXERQ-UHFFFAOYSA-N 0 0 381.432 4.071 20 5 GIBDRN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000460293108 823342515 /nfs/dbraw/zinc/34/25/15/823342515.db2.gz XRBIVDHJOHTCPQ-OWCLPIDISA-N 0 0 391.512 4.011 20 5 GIBDRN CSc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000018009895 818538178 /nfs/dbraw/zinc/53/81/78/818538178.db2.gz DSAJFNGHIAZFGQ-UHFFFAOYSA-N 0 0 380.853 4.121 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000018009434 818538254 /nfs/dbraw/zinc/53/82/54/818538254.db2.gz JAXDDQNHPXFRFI-UHFFFAOYSA-N 0 0 398.202 4.390 20 5 GIBDRN Cc1c2ccccc2sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018078526 818543776 /nfs/dbraw/zinc/54/37/76/818543776.db2.gz CDWFTEZQZABXLX-UHFFFAOYSA-N 0 0 381.457 4.080 20 5 GIBDRN O=C(NCCCSc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018082908 818544111 /nfs/dbraw/zinc/54/41/11/818544111.db2.gz SKOIVOBDPMGSOS-UHFFFAOYSA-N 0 0 399.516 4.110 20 5 GIBDRN CC(C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000057886524 823344920 /nfs/dbraw/zinc/34/49/20/823344920.db2.gz HGCJZQYDXSJAPB-FQEVSTJZSA-N 0 0 395.463 4.177 20 5 GIBDRN CC(C)[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018135792 818549872 /nfs/dbraw/zinc/54/98/72/818549872.db2.gz RXWQZOIULZQCON-MRXNPFEDSA-N 0 0 377.238 4.484 20 5 GIBDRN CC(C)[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018135793 818549881 /nfs/dbraw/zinc/54/98/81/818549881.db2.gz RXWQZOIULZQCON-INIZCTEOSA-N 0 0 377.238 4.484 20 5 GIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000018228174 818557854 /nfs/dbraw/zinc/55/78/54/818557854.db2.gz ZTQGVCWMFBRUPL-UHFFFAOYSA-N 0 0 387.461 4.051 20 5 GIBDRN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])s1 ZINC000018235253 818559392 /nfs/dbraw/zinc/55/93/92/818559392.db2.gz JSXYLKVPZVKMDG-UHFFFAOYSA-N 0 0 389.336 4.417 20 5 GIBDRN CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000018253829 818561320 /nfs/dbraw/zinc/56/13/20/818561320.db2.gz ATRUSBWXYYQDGF-IZZDOVSWSA-N 0 0 386.429 4.145 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000018769464 818577409 /nfs/dbraw/zinc/57/74/09/818577409.db2.gz CFDYWAIMFBYFTL-MRXNPFEDSA-N 0 0 397.412 4.006 20 5 GIBDRN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC ZINC000018826910 818578805 /nfs/dbraw/zinc/57/88/05/818578805.db2.gz JRDSLSWEWLDIEO-UHFFFAOYSA-N 0 0 399.447 4.245 20 5 GIBDRN O=C(Nc1ccccc1N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018839696 818579352 /nfs/dbraw/zinc/57/93/52/818579352.db2.gz HOIASOCFIFTSOI-UHFFFAOYSA-N 0 0 394.475 4.050 20 5 GIBDRN CCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 ZINC000018840103 818579366 /nfs/dbraw/zinc/57/93/66/818579366.db2.gz YEHUYBKSSZSZSA-UHFFFAOYSA-N 0 0 397.460 4.263 20 5 GIBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000019231168 818588768 /nfs/dbraw/zinc/58/87/68/818588768.db2.gz ADKQVDBFAFQMLU-UHFFFAOYSA-N 0 0 392.396 4.019 20 5 GIBDRN Cc1csc(Sc2ccc(-c3nc(-c4cnccn4)no3)cc2[N+](=O)[O-])n1 ZINC000177007438 823348128 /nfs/dbraw/zinc/34/81/28/823348128.db2.gz ARIQFOLSNQZPBE-UHFFFAOYSA-N 0 0 398.429 4.018 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000122397219 823348722 /nfs/dbraw/zinc/34/87/22/823348722.db2.gz CVINUQFVSJUBIO-UHFFFAOYSA-N 0 0 384.310 4.105 20 5 GIBDRN COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000020021338 818609942 /nfs/dbraw/zinc/60/99/42/818609942.db2.gz AHLPTJBPLQXQKJ-UHFFFAOYSA-N 0 0 392.411 4.459 20 5 GIBDRN CCCc1noc2nc(CC)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OCC)c12 ZINC000409954540 823352858 /nfs/dbraw/zinc/35/28/58/823352858.db2.gz ABHFVRLUHBDILH-UHFFFAOYSA-N 0 0 398.419 4.297 20 5 GIBDRN Cc1cc(NC(=O)[C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])ccc1Br ZINC000021389754 818682666 /nfs/dbraw/zinc/68/26/66/818682666.db2.gz YFIASKVRCWJVMA-JTQLQIEISA-N 0 0 397.200 4.211 20 5 GIBDRN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000409965995 823356938 /nfs/dbraw/zinc/35/69/38/823356938.db2.gz KHUCYOVMBBJXPN-NHYWBVRUSA-N 0 0 381.354 4.175 20 5 GIBDRN CC(C)(CC(=O)[O-])[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000572539083 823357043 /nfs/dbraw/zinc/35/70/43/823357043.db2.gz UQEQGLIYNKRXIF-UHFFFAOYSA-N 0 0 378.812 4.383 20 5 GIBDRN CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000021592737 818710163 /nfs/dbraw/zinc/71/01/63/818710163.db2.gz BCJISRCCRZXMHR-AWEZNQCLSA-N 0 0 378.812 4.147 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000021629950 818716048 /nfs/dbraw/zinc/71/60/48/818716048.db2.gz RRUVIHVHZRTMRG-SECBINFHSA-N 0 0 385.203 4.316 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000021630044 818716693 /nfs/dbraw/zinc/71/66/93/818716693.db2.gz VTDFJSSRBHDWSU-LBPRGKRZSA-N 0 0 378.812 4.280 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000189101944 823358091 /nfs/dbraw/zinc/35/80/91/823358091.db2.gz QBRBWPPIDRJAED-KRWDZBQOSA-N 0 0 391.374 4.095 20 5 GIBDRN O=C(Nc1cccc2nccn21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000460342371 823358846 /nfs/dbraw/zinc/35/88/46/823358846.db2.gz GUMAAOQEISENKN-UHFFFAOYSA-N 0 0 387.399 4.107 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1ccccn1)c1ccccc1 ZINC000021819344 818739478 /nfs/dbraw/zinc/73/94/78/818739478.db2.gz RTTXOATZEKYJQE-IBGZPJMESA-N 0 0 396.834 4.113 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] ZINC000409978504 823360610 /nfs/dbraw/zinc/36/06/10/823360610.db2.gz JCOUWEKGBMNNTC-UHFFFAOYSA-N 0 0 395.440 4.398 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000409978979 823360961 /nfs/dbraw/zinc/36/09/61/823360961.db2.gz UYRLHWCGBLBVCK-OAHLLOKOSA-N 0 0 379.416 4.450 20 5 GIBDRN C[C@H](SCc1ccccc1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355149 823362396 /nfs/dbraw/zinc/36/23/96/823362396.db2.gz VXKVPRIICKHSKM-IFXJQAMLSA-N 0 0 388.514 4.491 20 5 GIBDRN Cc1cccc(-n2ccnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000022133819 818775412 /nfs/dbraw/zinc/77/54/12/818775412.db2.gz ZZNSJWDLXTZVIK-UHFFFAOYSA-N 0 0 393.428 4.431 20 5 GIBDRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359296 823363566 /nfs/dbraw/zinc/36/35/66/823363566.db2.gz NRGMELSJYPAYCP-KPZWWZAWSA-N 0 0 392.864 4.290 20 5 GIBDRN COc1cc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000022368910 818798250 /nfs/dbraw/zinc/79/82/50/818798250.db2.gz MMKPJJAPHHJYEW-UHFFFAOYSA-N 0 0 399.230 4.191 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000022414659 818803414 /nfs/dbraw/zinc/80/34/14/818803414.db2.gz HBNIVQVVBPMSPO-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022470754 818811512 /nfs/dbraw/zinc/81/15/12/818811512.db2.gz OULABYCLEGHVBS-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000022471209 818811642 /nfs/dbraw/zinc/81/16/42/818811642.db2.gz KBLCTKYEBZTSSV-LSDHHAIUSA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000022495593 818817753 /nfs/dbraw/zinc/81/77/53/818817753.db2.gz LIKKSHHSMPLYJX-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000022495682 818818295 /nfs/dbraw/zinc/81/82/95/818818295.db2.gz JJGGIBIGOFUHDN-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000022497936 818818322 /nfs/dbraw/zinc/81/83/22/818818322.db2.gz WMBXVXJLNFIQSI-AWEZNQCLSA-N 0 0 384.432 4.385 20 5 GIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000022547682 818823483 /nfs/dbraw/zinc/82/34/83/818823483.db2.gz STHZFGAECSQJOX-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000022550786 818824201 /nfs/dbraw/zinc/82/42/01/818824201.db2.gz JGBNXGAGZSPQNL-PPOCWRSBSA-N 0 0 388.807 4.140 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000022636521 818835400 /nfs/dbraw/zinc/83/54/00/818835400.db2.gz AUWXVEAYBLTIGT-NSHDSACASA-N 0 0 384.379 4.411 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000022636516 818835609 /nfs/dbraw/zinc/83/56/09/818835609.db2.gz AUWXVEAYBLTIGT-LLVKDONJSA-N 0 0 384.379 4.411 20 5 GIBDRN O=C(COc1cccc2ccccc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460353442 823361654 /nfs/dbraw/zinc/36/16/54/823361654.db2.gz PTVBKOQCESYJBV-NRFANRHFSA-N 0 0 394.452 4.401 20 5 GIBDRN CNc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000022656430 818838131 /nfs/dbraw/zinc/83/81/31/818838131.db2.gz JGEMCEAIZKSLLO-HXUWFJFHSA-N 0 0 375.428 4.350 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000022670171 818839385 /nfs/dbraw/zinc/83/93/85/818839385.db2.gz UTLFQKMKAJFYGD-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN COc1ccc(CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccncc2)cc1 ZINC000460376400 823368966 /nfs/dbraw/zinc/36/89/66/823368966.db2.gz SZQLOMOYCIMXJH-UHFFFAOYSA-N 0 0 397.818 4.499 20 5 GIBDRN CCOCCCNC(=O)[C@@H](C)OC(=O)c1c2ccccc2cc2ccccc21 ZINC000022787540 818860664 /nfs/dbraw/zinc/86/06/64/818860664.db2.gz SUUNQSKERZRGMS-MRXNPFEDSA-N 0 0 379.456 4.081 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000022911047 818875755 /nfs/dbraw/zinc/87/57/55/818875755.db2.gz UOMVNKYHPRVZFR-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1nc2ccccc2nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000023055621 818894119 /nfs/dbraw/zinc/89/41/19/818894119.db2.gz DCJQUWHCKYDLBX-UHFFFAOYSA-N 0 0 379.401 4.189 20 5 GIBDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000023107736 818898400 /nfs/dbraw/zinc/89/84/00/818898400.db2.gz KPUAYNHVHQIFMA-UHFFFAOYSA-N 0 0 398.728 4.255 20 5 GIBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000023222101 818911973 /nfs/dbraw/zinc/91/19/73/818911973.db2.gz PMCCIGWWEZOZBH-CYBMUJFWSA-N 0 0 398.415 4.008 20 5 GIBDRN Cc1ccnc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 ZINC000122567586 823374003 /nfs/dbraw/zinc/37/40/03/823374003.db2.gz GQXQVWBHYNOPKI-UHFFFAOYSA-N 0 0 384.779 4.391 20 5 GIBDRN Cc1nc(C2(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCCCC2)no1 ZINC000023508154 818951025 /nfs/dbraw/zinc/95/10/25/818951025.db2.gz SDKCWAVBBKHDBM-UHFFFAOYSA-N 0 0 386.452 4.173 20 5 GIBDRN O=C(c1ccc(F)cc1)c1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000058304003 823376793 /nfs/dbraw/zinc/37/67/93/823376793.db2.gz SQXUHSCTOBXHLL-UHFFFAOYSA-N 0 0 377.331 4.405 20 5 GIBDRN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058328679 823379314 /nfs/dbraw/zinc/37/93/14/823379314.db2.gz PEHJIAFMZYNNHK-UHFFFAOYSA-N 0 0 381.407 4.457 20 5 GIBDRN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000024047247 819015272 /nfs/dbraw/zinc/01/52/72/819015272.db2.gz YEJJIYNYKNJONT-AWEZNQCLSA-N 0 0 398.415 4.070 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2c(Br)cccc21 ZINC000410053272 823380911 /nfs/dbraw/zinc/38/09/11/823380911.db2.gz LWQYFUACWMNWIU-AWEZNQCLSA-N 0 0 392.209 4.003 20 5 GIBDRN CC[C@H](c1cccc(OC)c1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572678560 823381091 /nfs/dbraw/zinc/38/10/91/823381091.db2.gz XHHCFIIGVKRDBD-GOSISDBHSA-N 0 0 382.420 4.237 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1[N+](=O)[O-] ZINC000024227060 819037574 /nfs/dbraw/zinc/03/75/74/819037574.db2.gz ZPNSXRWHMAWAMZ-UHFFFAOYSA-N 0 0 399.838 4.379 20 5 GIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCC(C(C)(C)C)CC1 ZINC000410059449 823382122 /nfs/dbraw/zinc/38/21/22/823382122.db2.gz ZQQRXKBSUBUZJT-UHFFFAOYSA-N 0 0 384.480 4.457 20 5 GIBDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460418574 823382739 /nfs/dbraw/zinc/38/27/39/823382739.db2.gz GNDJRSVMGMLKNZ-SFHVURJKSA-N 0 0 392.459 4.182 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3C[C@H]4CCC[C@H]43)n2CCc2ccccc2)cc1 ZINC000460431572 823386912 /nfs/dbraw/zinc/38/69/12/823386912.db2.gz YNEOSYZZSSNWFW-UYAOXDASSA-N 0 0 389.459 4.085 20 5 GIBDRN Cc1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000410096170 823390145 /nfs/dbraw/zinc/39/01/45/823390145.db2.gz UFPAABBAWBPUTM-HNNXBMFYSA-N 0 0 379.416 4.450 20 5 GIBDRN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Cl ZINC000460452390 823394065 /nfs/dbraw/zinc/39/40/65/823394065.db2.gz GXWWNJXPRDFMBF-NSHDSACASA-N 0 0 383.231 4.028 20 5 GIBDRN C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000572781791 823397708 /nfs/dbraw/zinc/39/77/08/823397708.db2.gz JVMDLXDNRKPESB-XIKOKIGWSA-N 0 0 392.814 4.091 20 5 GIBDRN O=C(c1ccc(F)c(F)c1F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000177209581 823399878 /nfs/dbraw/zinc/39/98/78/823399878.db2.gz QTLNDNDOSOUVAU-UHFFFAOYSA-N 0 0 392.255 4.217 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1OC(F)(F)F ZINC000460472226 823400661 /nfs/dbraw/zinc/40/06/61/823400661.db2.gz NNUGUDXHRSWNDF-UHFFFAOYSA-N 0 0 388.729 4.385 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460481924 823403709 /nfs/dbraw/zinc/40/37/09/823403709.db2.gz WPXPSHRJOBHJRA-CVEARBPZSA-N 0 0 378.350 4.076 20 5 GIBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177212861 823400940 /nfs/dbraw/zinc/40/09/40/823400940.db2.gz MZXONEOOVZOHRQ-UHFFFAOYSA-N 0 0 396.378 4.103 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2cccc(Cl)c2)no1 ZINC000122742953 823404092 /nfs/dbraw/zinc/40/40/92/823404092.db2.gz JXFNBZVCXWGTNO-UHFFFAOYSA-N 0 0 383.751 4.032 20 5 GIBDRN C[C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000460483661 823404461 /nfs/dbraw/zinc/40/44/61/823404461.db2.gz AJUFOGLDDBXMHG-CYBMUJFWSA-N 0 0 380.366 4.466 20 5 GIBDRN C[C@@H](C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572819544 823405203 /nfs/dbraw/zinc/40/52/03/823405203.db2.gz JOTAEJWUETWYNB-CYBMUJFWSA-N 0 0 396.365 4.255 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccncc2F)cc1 ZINC000122750990 823405475 /nfs/dbraw/zinc/40/54/75/823405475.db2.gz KJTDFBAFQRQSOY-UHFFFAOYSA-N 0 0 383.335 4.182 20 5 GIBDRN O=C(Nc1ccc(OCc2ccccc2)nc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058534109 823405497 /nfs/dbraw/zinc/40/54/97/823405497.db2.gz RQYJLUCFARFNEZ-UHFFFAOYSA-N 0 0 388.383 4.302 20 5 GIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc4c(c3)OCCO4)no2)c1 ZINC000572827088 823406348 /nfs/dbraw/zinc/40/63/48/823406348.db2.gz SYDFJKYOZRVPLB-UHFFFAOYSA-N 0 0 393.277 4.102 20 5 GIBDRN Cc1ccc(CC[C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000460509552 823412666 /nfs/dbraw/zinc/41/26/66/823412666.db2.gz HVQKIPJAIVIGFF-LBPRGKRZSA-N 0 0 380.828 4.056 20 5 GIBDRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460511902 823413276 /nfs/dbraw/zinc/41/32/76/823413276.db2.gz ZWSHDSCMFLXLCS-CYBMUJFWSA-N 0 0 380.366 4.151 20 5 GIBDRN COc1ccc(C2(C(=O)NCCc3ccccc3[N+](=O)[O-])CCCCC2)cc1 ZINC000460502255 823410115 /nfs/dbraw/zinc/41/01/15/823410115.db2.gz QCERRCLGQPXSJA-UHFFFAOYSA-N 0 0 382.460 4.164 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000122777433 823410565 /nfs/dbraw/zinc/41/05/65/823410565.db2.gz HZMUWIZLFOZBQQ-GOSISDBHSA-N 0 0 384.436 4.038 20 5 GIBDRN CC(C)c1ccccc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000122841784 823421672 /nfs/dbraw/zinc/42/16/72/823421672.db2.gz KKCDMKVWODXRGV-UHFFFAOYSA-N 0 0 393.237 4.498 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410218471 823423014 /nfs/dbraw/zinc/42/30/14/823423014.db2.gz NLLKTZAJCXLGAB-UHFFFAOYSA-N 0 0 377.803 4.053 20 5 GIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122854590 823423782 /nfs/dbraw/zinc/42/37/82/823423782.db2.gz DKRHDLVXZNHZNB-TZMCWYRMSA-N 0 0 387.299 4.104 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000058649332 823424287 /nfs/dbraw/zinc/42/42/87/823424287.db2.gz SZFFLSYTFSPJIZ-HNNXBMFYSA-N 0 0 396.443 4.212 20 5 GIBDRN Cc1c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000460529467 823421295 /nfs/dbraw/zinc/42/12/95/823421295.db2.gz XJAZCDHECALTHD-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN CN(C[C@@H]1CCOC1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000177312427 823429493 /nfs/dbraw/zinc/42/94/93/823429493.db2.gz OLQFIYCXZPBBKJ-ZDUSSCGKSA-N 0 0 390.823 4.149 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000410232206 823427946 /nfs/dbraw/zinc/42/79/46/823427946.db2.gz NIQPDVZRLUTOQC-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Cl ZINC000122881353 823428106 /nfs/dbraw/zinc/42/81/06/823428106.db2.gz USZAQBMIEGBWIS-UHFFFAOYSA-N 0 0 393.802 4.025 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)c1 ZINC000410242132 823431525 /nfs/dbraw/zinc/43/15/25/823431525.db2.gz RDSIRYXXVCIDHF-UHFFFAOYSA-N 0 0 378.425 4.074 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000024592776 819854072 /nfs/dbraw/zinc/85/40/72/819854072.db2.gz CGUCDVRZVZGTQM-UHFFFAOYSA-N 0 0 381.432 4.271 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000024941615 819898282 /nfs/dbraw/zinc/89/82/82/819898282.db2.gz SUXBEMJOOFPZFY-CQSZACIVSA-N 0 0 399.472 4.231 20 5 GIBDRN O=C(CN1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025442635 819980722 /nfs/dbraw/zinc/98/07/22/819980722.db2.gz SXKFWYRPTQXPOW-INIZCTEOSA-N 0 0 377.803 4.163 20 5 GIBDRN CCn1c(-c2ccccc2)nn(CN(C)Cc2ccccc2[N+](=O)[O-])c1=S ZINC000025479058 819989100 /nfs/dbraw/zinc/98/91/00/819989100.db2.gz OLQNVHCGXHGWLV-UHFFFAOYSA-N 0 0 383.477 4.099 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000025545734 820001622 /nfs/dbraw/zinc/00/16/22/820001622.db2.gz MALIDAIOELDBNF-UHFFFAOYSA-N 0 0 381.457 4.305 20 5 GIBDRN CCCn1nccc1C1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000410281920 823447308 /nfs/dbraw/zinc/44/73/08/823447308.db2.gz MVJHJGWMBIYUGQ-UHFFFAOYSA-N 0 0 384.480 4.345 20 5 GIBDRN CCc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123009768 823447538 /nfs/dbraw/zinc/44/75/38/823447538.db2.gz OEXYWIJXRKHSGM-AZUAARDMSA-N 0 0 386.423 4.025 20 5 GIBDRN CCN(Cc1ccc(Cl)s1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025923346 820040004 /nfs/dbraw/zinc/04/00/04/820040004.db2.gz GEGXCTYJQHALEN-UHFFFAOYSA-N 0 0 378.841 4.382 20 5 GIBDRN Cc1sc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 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CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000030542206 820636591 /nfs/dbraw/zinc/63/65/91/820636591.db2.gz RXWBWZBNQNMRCD-FQEVSTJZSA-N 0 0 393.399 4.450 20 5 GIBDRN CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000030542209 820636599 /nfs/dbraw/zinc/63/65/99/820636599.db2.gz RXWBWZBNQNMRCD-HXUWFJFHSA-N 0 0 393.399 4.450 20 5 GIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(Cc2ccccc2)s1 ZINC000123299131 823492805 /nfs/dbraw/zinc/49/28/05/823492805.db2.gz CVHXTYIGDWQRTM-CYBMUJFWSA-N 0 0 379.441 4.234 20 5 GIBDRN COc1ccccc1CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410444571 823496332 /nfs/dbraw/zinc/49/63/32/823496332.db2.gz OMYGZAMAFGWLFY-UHFFFAOYSA-N 0 0 396.365 4.373 20 5 GIBDRN COc1cc(C(=O)NC(C)(C)Cc2ccccc2Cl)c([N+](=O)[O-])cc1F ZINC000410453543 823497025 /nfs/dbraw/zinc/49/70/25/823497025.db2.gz WDRXJGMYJHTFOH-UHFFFAOYSA-N 0 0 380.803 4.147 20 5 GIBDRN COc1ccc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000059785378 823498831 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385.383 4.095 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000460747701 823503180 /nfs/dbraw/zinc/50/31/80/823503180.db2.gz NSACEIBTWCMXJW-UHFFFAOYSA-N 0 0 388.387 4.087 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031389111 820802099 /nfs/dbraw/zinc/80/20/99/820802099.db2.gz QZLHBMIKTPXKGZ-OAHLLOKOSA-N 0 0 398.400 4.090 20 5 GIBDRN O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000031471301 820815345 /nfs/dbraw/zinc/81/53/45/820815345.db2.gz UCFXQBXQYUIQHD-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000031604728 820832067 /nfs/dbraw/zinc/83/20/67/820832067.db2.gz GCUXIKBQHPRLRK-UHFFFAOYSA-N 0 0 399.447 4.295 20 5 GIBDRN CCN(Cc1ccccn1)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000177675758 823512230 /nfs/dbraw/zinc/51/22/30/823512230.db2.gz VYRNMIZDIAZRBI-IAGOWNOFSA-N 0 0 396.491 4.134 20 5 GIBDRN Cc1ccccc1-n1ccnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031844722 820867051 /nfs/dbraw/zinc/86/70/51/820867051.db2.gz QICOIGAWHFQURM-UHFFFAOYSA-N 0 0 393.428 4.431 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000189890369 823510530 /nfs/dbraw/zinc/51/05/30/823510530.db2.gz AUEIWRMPRLRJRC-NRFANRHFSA-N 0 0 391.427 4.135 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123456772 823510811 /nfs/dbraw/zinc/51/08/11/823510811.db2.gz GDJQOTVHUVXWIY-UHFFFAOYSA-N 0 0 389.795 4.270 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc[nH]1 ZINC000123459277 823511139 /nfs/dbraw/zinc/51/11/39/823511139.db2.gz LCNHEKBVUJBBNO-HNNXBMFYSA-N 0 0 396.369 4.107 20 5 GIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410736598 823511620 /nfs/dbraw/zinc/51/16/20/823511620.db2.gz OHMZKORMIAIZRH-KCJUWKMLSA-N 0 0 384.276 4.417 20 5 GIBDRN CCCc1ccccc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000032051353 820891971 /nfs/dbraw/zinc/89/19/71/820891971.db2.gz NKWDTXBEULFWFV-UHFFFAOYSA-N 0 0 380.347 4.410 20 5 GIBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032158224 820900152 /nfs/dbraw/zinc/90/01/52/820900152.db2.gz QYMAERHSOZPOFH-CQSZACIVSA-N 0 0 390.399 4.360 20 5 GIBDRN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](c2ccsc2)O1 ZINC000177688720 823513739 /nfs/dbraw/zinc/51/37/39/823513739.db2.gz DUKRDCQVFMGALF-NHYWBVRUSA-N 0 0 388.470 4.473 20 5 GIBDRN O=C(Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000123529532 823518043 /nfs/dbraw/zinc/51/80/43/823518043.db2.gz FJIBANBHEGEDSM-UHFFFAOYSA-N 0 0 385.763 4.346 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(CC(C)C)nc1C(F)F ZINC000410818924 823516403 /nfs/dbraw/zinc/51/64/03/823516403.db2.gz QUWCKEOOKFVGOI-UHFFFAOYSA-N 0 0 382.367 4.036 20 5 GIBDRN Cc1cscc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000123537046 823518877 /nfs/dbraw/zinc/51/88/77/823518877.db2.gz 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CC(C)COc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000060451324 823529261 /nfs/dbraw/zinc/52/92/61/823529261.db2.gz XWABAWLKROYTKC-UHFFFAOYSA-N 0 0 383.448 4.134 20 5 GIBDRN CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1c(C)noc1C ZINC000123600863 823524923 /nfs/dbraw/zinc/52/49/23/823524923.db2.gz RHSPKKONWYWLNB-LLVKDONJSA-N 0 0 384.339 4.074 20 5 GIBDRN COc1ccc(N(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000040112464 821140393 /nfs/dbraw/zinc/14/03/93/821140393.db2.gz HQFWTOJXBCRZDT-UHFFFAOYSA-N 0 0 392.411 4.216 20 5 GIBDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060505973 823535625 /nfs/dbraw/zinc/53/56/25/823535625.db2.gz VWCZYDNLGNPKIP-CQSZACIVSA-N 0 0 380.441 4.123 20 5 GIBDRN COc1cc(OCc2nc3ccc(Br)cc3o2)ccc1[N+](=O)[O-] ZINC000460869328 823532892 /nfs/dbraw/zinc/53/28/92/823532892.db2.gz GNJFYXRVEKSXJR-UHFFFAOYSA-N 0 0 379.166 4.086 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177833283 823533193 /nfs/dbraw/zinc/53/31/93/823533193.db2.gz XLTRMONDLQPBLC-JTQLQIEISA-N 0 0 397.309 4.321 20 5 GIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177834306 823533315 /nfs/dbraw/zinc/53/33/15/823533315.db2.gz YGTZYTRVCPNKNO-ZDUSSCGKSA-N 0 0 396.422 4.336 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1[N+](=O)[O-] ZINC000177835550 823533791 /nfs/dbraw/zinc/53/37/91/823533791.db2.gz QHFOVJWCKQJPSH-CYBMUJFWSA-N 0 0 382.445 4.243 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000177836301 823533917 /nfs/dbraw/zinc/53/39/17/823533917.db2.gz PXRVOXHQGIRMTK-SNVBAGLBSA-N 0 0 383.267 4.147 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(OC(C)C)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123732967 823535883 /nfs/dbraw/zinc/53/58/83/823535883.db2.gz WZCIUCFFIIAUNJ-UHFFFAOYSA-N 0 0 391.355 4.298 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000177852642 823536603 /nfs/dbraw/zinc/53/66/03/823536603.db2.gz YSESQSWOULNULE-CYBMUJFWSA-N 0 0 392.415 4.322 20 5 GIBDRN COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000177856029 823536988 /nfs/dbraw/zinc/53/69/88/823536988.db2.gz NQCOXDCINUCIIS-NSHDSACASA-N 0 0 393.237 4.165 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2csc(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000177856213 823537007 /nfs/dbraw/zinc/53/70/07/823537007.db2.gz MNLWIENBZYIYKE-OAHLLOKOSA-N 0 0 395.484 4.370 20 5 GIBDRN C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)C1 ZINC000460912062 823540971 /nfs/dbraw/zinc/54/09/71/823540971.db2.gz KWMGOQPRHADINK-ATZDWAIDSA-N 0 0 399.495 4.047 20 5 GIBDRN C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)C1 ZINC000460912065 823540973 /nfs/dbraw/zinc/54/09/73/823540973.db2.gz KWMGOQPRHADINK-MNEFBYGVSA-N 0 0 399.495 4.047 20 5 GIBDRN Cc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000177860088 823537540 /nfs/dbraw/zinc/53/75/40/823537540.db2.gz MTLBVSJMCHYFJD-CYBMUJFWSA-N 0 0 382.395 4.027 20 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CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000041816158 821233237 /nfs/dbraw/zinc/23/32/37/821233237.db2.gz BXPXAHCTSCGKNH-KRWDZBQOSA-N 0 0 393.896 4.003 20 5 GIBDRN COc1cccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC(F)F ZINC000177864690 823538350 /nfs/dbraw/zinc/53/83/50/823538350.db2.gz MOTNJBLUWMQDOZ-LLVKDONJSA-N 0 0 380.347 4.004 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1[N+](=O)[O-] ZINC000041894976 821242432 /nfs/dbraw/zinc/24/24/32/821242432.db2.gz FBYZLBZFBUCKPF-ZBEGNZNMSA-N 0 0 399.403 4.333 20 5 GIBDRN C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]2CCCC[C@H]12 ZINC000041905884 821245526 /nfs/dbraw/zinc/24/55/26/821245526.db2.gz VOPSEQRJTQKZOW-QRQLOZEOSA-N 0 0 385.508 4.238 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1OCCc1ccccc1 ZINC000041947256 821248732 /nfs/dbraw/zinc/24/87/32/821248732.db2.gz JZOVYAWJZHRBNU-UHFFFAOYSA-N 0 0 376.412 4.398 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000177872218 823539391 /nfs/dbraw/zinc/53/93/91/823539391.db2.gz QDASLWZJDSVKFF-AWEZNQCLSA-N 0 0 381.436 4.028 20 5 GIBDRN Cc1cccc(OCc2nnc(SCc3cc(F)ccc3[N+](=O)[O-])o2)c1 ZINC000042106776 821266987 /nfs/dbraw/zinc/26/69/87/821266987.db2.gz ZBRKJOVMBRWEPT-UHFFFAOYSA-N 0 0 375.381 4.297 20 5 GIBDRN CC(C)C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460909091 823540229 /nfs/dbraw/zinc/54/02/29/823540229.db2.gz NNXMFNBAFROHAU-PKOBYXMFSA-N 0 0 399.495 4.047 20 5 GIBDRN COc1ccc(-c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])o2)cc1OC ZINC000042128961 821270906 /nfs/dbraw/zinc/27/09/06/821270906.db2.gz XOQDWAILLOAKHC-UHFFFAOYSA-N 0 0 391.380 4.093 20 5 GIBDRN Cc1ccc(OCc2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000042157190 821276832 /nfs/dbraw/zinc/27/68/32/821276832.db2.gz YQZIBACMPOJEPH-UHFFFAOYSA-N 0 0 387.417 4.036 20 5 GIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000042391014 821306389 /nfs/dbraw/zinc/30/63/89/821306389.db2.gz QGXRMPSFNCFFQF-UHFFFAOYSA-N 0 0 382.395 4.026 20 5 GIBDRN Cc1c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cccc1[N+](=O)[O-] ZINC000042391685 821306610 /nfs/dbraw/zinc/30/66/10/821306610.db2.gz UIWXHDZVQHMXGQ-UHFFFAOYSA-N 0 0 395.440 4.147 20 5 GIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000042391570 821306728 /nfs/dbraw/zinc/30/67/28/821306728.db2.gz BNPVVVQODGQPMD-UHFFFAOYSA-N 0 0 382.395 4.026 20 5 GIBDRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000042631162 821316180 /nfs/dbraw/zinc/31/61/80/821316180.db2.gz YWOKQFHXGJPIIM-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN O=C(Cc1coc(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918246 821344585 /nfs/dbraw/zinc/34/45/85/821344585.db2.gz MODFXCZJQYKMBZ-UHFFFAOYSA-N 0 0 389.314 4.032 20 5 GIBDRN C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180639414 821378494 /nfs/dbraw/zinc/37/84/94/821378494.db2.gz ACLUEDFDVZXXTH-CYBMUJFWSA-N 0 0 377.828 4.053 20 5 GIBDRN CC[C@@H](C)Oc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000180670548 821389701 /nfs/dbraw/zinc/38/97/01/821389701.db2.gz UYKSXKQIHCCAFY-OAHLLOKOSA-N 0 0 398.463 4.041 20 5 GIBDRN CC[C@H](C)Oc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000180670768 821389763 /nfs/dbraw/zinc/38/97/63/821389763.db2.gz UTFIBXNCWNLMCV-HNNXBMFYSA-N 0 0 398.463 4.041 20 5 GIBDRN Cc1csc2nc(CS[C@@H](C)c3cc([N+](=O)[O-])ccc3C)cc(=O)n12 ZINC000180683712 821394209 /nfs/dbraw/zinc/39/42/09/821394209.db2.gz XDWWYKCCRQVSHD-LBPRGKRZSA-N 0 0 375.475 4.275 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000043342445 821395520 /nfs/dbraw/zinc/39/55/20/821395520.db2.gz LDXKGSXQEJXOOR-SFHVURJKSA-N 0 0 389.839 4.226 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCOc1cccc(S(C)(=O)=O)c1 ZINC000180708354 821409046 /nfs/dbraw/zinc/40/90/46/821409046.db2.gz GGOZPWPLJGJDFQ-CQSZACIVSA-N 0 0 395.502 4.180 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000180728302 821421017 /nfs/dbraw/zinc/42/10/17/821421017.db2.gz KBOXRMWLEADLHJ-UHFFFAOYSA-N 0 0 394.456 4.054 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000180729510 821421540 /nfs/dbraw/zinc/42/15/40/821421540.db2.gz CKYHODLATHRSSC-INIZCTEOSA-N 0 0 395.337 4.219 20 5 GIBDRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180748064 821431506 /nfs/dbraw/zinc/43/15/06/821431506.db2.gz IMIOVKMLBVNGKT-UHFFFAOYSA-N 0 0 395.390 4.456 20 5 GIBDRN COc1ccc(Br)cc1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000043742335 821450703 /nfs/dbraw/zinc/45/07/03/821450703.db2.gz SWFLWIVNQXHAEV-UHFFFAOYSA-N 0 0 399.266 4.008 20 5 GIBDRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180791267 821460779 /nfs/dbraw/zinc/46/07/79/821460779.db2.gz MIGWEVXOPMJAMA-UHFFFAOYSA-N 0 0 377.400 4.317 20 5 GIBDRN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)cc1 ZINC000180845275 821491332 /nfs/dbraw/zinc/49/13/32/821491332.db2.gz JGECOZAFHQOTPT-HNNXBMFYSA-N 0 0 389.415 4.286 20 5 GIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000180848241 821492716 /nfs/dbraw/zinc/49/27/16/821492716.db2.gz BOEXFNQVOWUUDW-BLLLJJGKSA-N 0 0 399.285 4.071 20 5 GIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)c1 ZINC000044288658 821560774 /nfs/dbraw/zinc/56/07/74/821560774.db2.gz YJUDXKDBDKQCIR-UHFFFAOYSA-N 0 0 391.430 4.049 20 5 GIBDRN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cc(F)c(F)c(F)c1 ZINC000181014463 821594242 /nfs/dbraw/zinc/59/42/42/821594242.db2.gz UNJYEBRMIPCQBO-UHFFFAOYSA-N 0 0 390.365 4.045 20 5 GIBDRN COCc1ccccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000044550415 821607172 /nfs/dbraw/zinc/60/71/72/821607172.db2.gz IIDGXOQNMSVGNS-HNNXBMFYSA-N 0 0 383.448 4.230 20 5 GIBDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000044553044 821608374 /nfs/dbraw/zinc/60/83/74/821608374.db2.gz DJIYLQNNTLOYSW-UHFFFAOYSA-N 0 0 391.427 4.258 20 5 GIBDRN Cc1csc2nc(CSCc3ccc([N+](=O)[O-])cc3Cl)cc(=O)n12 ZINC000181081808 821623403 /nfs/dbraw/zinc/62/34/03/821623403.db2.gz INODCPOMLBKIOO-UHFFFAOYSA-N 0 0 381.866 4.059 20 5 GIBDRN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 ZINC000181123274 821647636 /nfs/dbraw/zinc/64/76/36/821647636.db2.gz UWPGKBXYODTJTQ-JTQLQIEISA-N 0 0 376.210 4.349 20 5 GIBDRN Cc1c(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000181124362 821648220 /nfs/dbraw/zinc/64/82/20/821648220.db2.gz ZOMUFUZCCSWJFT-WBVHZDCISA-N 0 0 393.802 4.347 20 5 GIBDRN CCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000044738685 821651656 /nfs/dbraw/zinc/65/16/56/821651656.db2.gz WAGZMIRLMQLAOL-NSHDSACASA-N 0 0 378.450 4.253 20 5 GIBDRN O=C(CCc1ccc2[nH]ccc2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000181132479 821652933 /nfs/dbraw/zinc/65/29/33/821652933.db2.gz SKPLMFLVXBOTGL-UHFFFAOYSA-N 0 0 393.443 4.079 20 5 GIBDRN CCOc1ccc(OCC)c(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000044832053 821669418 /nfs/dbraw/zinc/66/94/18/821669418.db2.gz LAEZWVXIDHQIIS-AWEZNQCLSA-N 0 0 387.436 4.140 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000181359625 821786569 /nfs/dbraw/zinc/78/65/69/821786569.db2.gz FHYNXDHXKXTFQN-MRXNPFEDSA-N 0 0 389.839 4.304 20 5 GIBDRN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(F)c(F)c1 ZINC000181426396 821820778 /nfs/dbraw/zinc/82/07/78/821820778.db2.gz PZGQDHIZWNCHCG-SFHVURJKSA-N 0 0 380.391 4.138 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000181493658 821852418 /nfs/dbraw/zinc/85/24/18/821852418.db2.gz NAUIDDNYSFKGQT-JTQLQIEISA-N 0 0 399.373 4.162 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000181576466 821886253 /nfs/dbraw/zinc/88/62/53/821886253.db2.gz YUQQDOIIVBOTGL-INIZCTEOSA-N 0 0 392.502 4.371 20 5 GIBDRN CC(C)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(F)cc1F ZINC000181647925 821921686 /nfs/dbraw/zinc/92/16/86/821921686.db2.gz YEYPIZCXGBPWMO-SFHVURJKSA-N 0 0 388.374 4.410 20 5 GIBDRN CSc1c(F)cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000181678247 821939721 /nfs/dbraw/zinc/93/97/21/821939721.db2.gz NSVVDTIJHNLBDZ-UHFFFAOYSA-N 0 0 390.371 4.033 20 5 GIBDRN COCc1ccsc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000181821186 822006097 /nfs/dbraw/zinc/00/60/97/822006097.db2.gz GMPXDMAELSEPEI-UHFFFAOYSA-N 0 0 388.367 4.007 20 5 GIBDRN Cc1cc(C)cc(OCc2noc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000181843875 822014863 /nfs/dbraw/zinc/01/48/63/822014863.db2.gz YJUWRWKPBJYOJZ-INIZCTEOSA-N 0 0 396.447 4.333 20 5 GIBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2)c1 ZINC000181859668 822018672 /nfs/dbraw/zinc/01/86/72/822018672.db2.gz AOJCAVTUURRKOG-OAHLLOKOSA-N 0 0 393.447 4.096 20 5 GIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000181882046 822025419 /nfs/dbraw/zinc/02/54/19/822025419.db2.gz QWKSDHXZIFCHFS-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN CCCCC1CCC(c2cc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)n[nH]2)CC1 ZINC000181893869 822029093 /nfs/dbraw/zinc/02/90/93/822029093.db2.gz ADXOLLKIXZGFGS-UHFFFAOYSA-N 0 0 388.472 4.076 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1 ZINC000181947423 822042685 /nfs/dbraw/zinc/04/26/85/822042685.db2.gz ZMMHYCOUYHOOEI-UHFFFAOYSA-N 0 0 394.349 4.301 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(-c2ccccn2)s1 ZINC000181957352 822045787 /nfs/dbraw/zinc/04/57/87/822045787.db2.gz ZTYPRXPWRYGLQH-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN CCOc1ccc([C@@H](C)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1[N+](=O)[O-] ZINC000181982788 822052738 /nfs/dbraw/zinc/05/27/38/822052738.db2.gz BFPCTSDHRFRLHB-CQSZACIVSA-N 0 0 399.447 4.302 20 5 GIBDRN CSc1ccccc1NC(=O)CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182047479 822072871 /nfs/dbraw/zinc/07/28/71/822072871.db2.gz YGMWKSAZDAYCSE-UHFFFAOYSA-N 0 0 379.869 4.041 20 5 GIBDRN COc1ccc([C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)C)cc1 ZINC000182055963 822076781 /nfs/dbraw/zinc/07/67/81/822076781.db2.gz AOXKCMWWAFNASW-LJQANCHMSA-N 0 0 382.420 4.140 20 5 GIBDRN C[S@](=O)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000182104625 822095496 /nfs/dbraw/zinc/09/54/96/822095496.db2.gz NMPWAQDAPHUQFS-WINIVTDRSA-N 0 0 384.457 4.064 20 5 GIBDRN CCCc1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000182171314 822129645 /nfs/dbraw/zinc/12/96/45/822129645.db2.gz IGYUMKWJBMOCBB-UHFFFAOYSA-N 0 0 398.394 4.133 20 5 GIBDRN CCN(CC)C(=O)COc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000182310823 822198292 /nfs/dbraw/zinc/19/82/92/822198292.db2.gz FZLXLJBUSIRMHM-MRXNPFEDSA-N 0 0 385.464 4.324 20 5 GIBDRN Cn1nc(C2CCCC2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000182369239 822218086 /nfs/dbraw/zinc/21/80/86/822218086.db2.gz PRTSKNDLYZMYJE-UHFFFAOYSA-N 0 0 393.241 4.001 20 5 GIBDRN O=C(Nc1ccccc1CCC(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182374125 822219690 /nfs/dbraw/zinc/21/96/90/822219690.db2.gz JFHLWKHKMNVSAH-UHFFFAOYSA-N 0 0 382.294 4.071 20 5 GIBDRN CC(=O)Nc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc(C(F)(F)F)c1 ZINC000182449948 822246712 /nfs/dbraw/zinc/24/67/12/822246712.db2.gz ACHCTAVQCPBSMO-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182491418 822264768 /nfs/dbraw/zinc/26/47/68/822264768.db2.gz OUQITKMCAIMUPA-GFCCVEGCSA-N 0 0 397.362 4.321 20 5 GIBDRN COc1ccc(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000182496768 822267888 /nfs/dbraw/zinc/26/78/88/822267888.db2.gz HCDSRUCBKKJQHQ-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN COc1cc(CNc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182511685 822275961 /nfs/dbraw/zinc/27/59/61/822275961.db2.gz PHIZADOMYOVXSJ-UHFFFAOYSA-N 0 0 392.280 4.277 20 5 GIBDRN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(OC(F)(F)F)cc1 ZINC000182513217 822276867 /nfs/dbraw/zinc/27/68/67/822276867.db2.gz OHMMKDUOBYPZSK-JTQLQIEISA-N 0 0 381.310 4.485 20 5 GIBDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182522656 822281269 /nfs/dbraw/zinc/28/12/69/822281269.db2.gz GPTQPOUZHARFPN-SCLBCKFNSA-N 0 0 385.468 4.323 20 5 GIBDRN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538290 822290257 /nfs/dbraw/zinc/29/02/57/822290257.db2.gz SVXGSDXVHYSZIM-QWHCGFSZSA-N 0 0 395.419 4.015 20 5 GIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178047255 822298570 /nfs/dbraw/zinc/29/85/70/822298570.db2.gz AYWRZOKSFPYVRG-UHFFFAOYSA-N 0 0 392.440 4.472 20 5 GIBDRN Cc1cccc(Cn2nccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182623302 822326585 /nfs/dbraw/zinc/32/65/85/822326585.db2.gz QNORVGRAXPAOAZ-AWEZNQCLSA-N 0 0 382.395 4.029 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccccc2F)n1 ZINC000182643784 822336037 /nfs/dbraw/zinc/33/60/37/822336037.db2.gz ZARAJXCVZBVNFU-LBPRGKRZSA-N 0 0 386.358 4.109 20 5 GIBDRN Cc1nc(C)n(-c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000178202558 822351315 /nfs/dbraw/zinc/35/13/15/822351315.db2.gz FWERIEZEFKSTJH-UHFFFAOYSA-N 0 0 393.428 4.259 20 5 GIBDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178227683 822356136 /nfs/dbraw/zinc/35/61/36/822356136.db2.gz ZNJPENOEIOKUBW-ZDUSSCGKSA-N 0 0 395.440 4.454 20 5 GIBDRN C[C@@H](Nc1ccc(Cl)c(OC(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182710758 822356903 /nfs/dbraw/zinc/35/69/03/822356903.db2.gz GZLWMTJJGRZVGX-SECBINFHSA-N 0 0 385.754 4.289 20 5 GIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000178273062 822361886 /nfs/dbraw/zinc/36/18/86/822361886.db2.gz UECKDDUEHNGFKH-CQSZACIVSA-N 0 0 399.447 4.047 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000045175002 822368035 /nfs/dbraw/zinc/36/80/35/822368035.db2.gz RIWXGLSOJORTPW-OAHLLOKOSA-N 0 0 392.459 4.256 20 5 GIBDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182814033 822371783 /nfs/dbraw/zinc/37/17/83/822371783.db2.gz PCRFXLDAOHWZPQ-XJKSGUPXSA-N 0 0 389.839 4.022 20 5 GIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C[C@H](C)O ZINC000182821051 822372941 /nfs/dbraw/zinc/37/29/41/822372941.db2.gz QSKDHGMDRVDFFG-KGLIPLIRSA-N 0 0 380.510 4.014 20 5 GIBDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000045248224 822373286 /nfs/dbraw/zinc/37/32/86/822373286.db2.gz CMTWTLMHDLSRSD-ZDUSSCGKSA-N 0 0 384.823 4.267 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000045248713 822373508 /nfs/dbraw/zinc/37/35/08/822373508.db2.gz GDWZFAIPTPPYEW-IBGZPJMESA-N 0 0 381.819 4.295 20 5 GIBDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000045259794 822374141 /nfs/dbraw/zinc/37/41/41/822374141.db2.gz SCWMWSMUADRFPS-NSHDSACASA-N 0 0 375.375 4.281 20 5 GIBDRN CC(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000453476807 822374402 /nfs/dbraw/zinc/37/44/02/822374402.db2.gz GFLDMMCGTUDOPW-GOSISDBHSA-N 0 0 387.484 4.109 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000182856878 822380067 /nfs/dbraw/zinc/38/00/67/822380067.db2.gz VSLNGBRQRFZWDP-HXOBKFHXSA-N 0 0 397.478 4.159 20 5 GIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000182856901 822380169 /nfs/dbraw/zinc/38/01/69/822380169.db2.gz VSLNGBRQRFZWDP-SBUREZEXSA-N 0 0 397.478 4.159 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182859941 822380691 /nfs/dbraw/zinc/38/06/91/822380691.db2.gz KMTYLEQLAUWNQE-SFHVURJKSA-N 0 0 399.353 4.111 20 5 GIBDRN O=C(NCc1cc(Br)ccc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000045399242 822384209 /nfs/dbraw/zinc/38/42/09/822384209.db2.gz RXXXSIBTMLJHEE-UHFFFAOYSA-N 0 0 387.592 4.080 20 5 GIBDRN COc1ccc(C2(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])CCCC2)cc1OC ZINC000182887326 822386168 /nfs/dbraw/zinc/38/61/68/822386168.db2.gz LQEPKZMRQQFWHU-UHFFFAOYSA-N 0 0 398.459 4.082 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)C2CCC(C)CC2)cc1OC ZINC000045415693 822386387 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4.398 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000182927746 822394427 /nfs/dbraw/zinc/39/44/27/822394427.db2.gz XLJMWCIWVHCADH-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CCCc4cccc(O)c43)cc2[N+](=O)[O-])CC1 ZINC000182930229 822394822 /nfs/dbraw/zinc/39/48/22/822394822.db2.gz VWMLXGRTLXBNDU-UHFFFAOYSA-N 0 0 395.459 4.130 20 5 GIBDRN CCC(CC)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000182972398 822402249 /nfs/dbraw/zinc/40/22/49/822402249.db2.gz CWTUHXCVMUCZQP-FXAWDEMLSA-N 0 0 389.496 4.227 20 5 GIBDRN Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000178681913 822402469 /nfs/dbraw/zinc/40/24/69/822402469.db2.gz XUSSTHFJBTZNEZ-UHFFFAOYSA-N 0 0 394.818 4.217 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182999999 822408709 /nfs/dbraw/zinc/40/87/09/822408709.db2.gz LMSHFUCBAOWPRM-SECBINFHSA-N 0 0 379.775 4.088 20 5 GIBDRN 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395.440 4.185 20 5 GIBDRN O=C(Nc1ccc(F)cc1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000045990175 822431566 /nfs/dbraw/zinc/43/15/66/822431566.db2.gz ZXYSPFAHVXIRRD-UHFFFAOYSA-N 0 0 394.200 4.323 20 5 GIBDRN O=C(c1ccc(OCc2ccccc2)nc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000179097333 822437956 /nfs/dbraw/zinc/43/79/56/822437956.db2.gz KMNVMTMQVJEGLF-UHFFFAOYSA-N 0 0 389.411 4.162 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000454201848 822438487 /nfs/dbraw/zinc/43/84/87/822438487.db2.gz XYRWSFHZWIXSMM-ZBEGNZNMSA-N 0 0 375.425 4.331 20 5 GIBDRN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc2ccc(F)cc2c1 ZINC000179114344 822439669 /nfs/dbraw/zinc/43/96/69/822439669.db2.gz OFJAPIKJCKNXIO-UHFFFAOYSA-N 0 0 393.330 4.294 20 5 GIBDRN COc1ccc(OC)c(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454229357 822441249 /nfs/dbraw/zinc/44/12/49/822441249.db2.gz VDHWWOJXEYYJGJ-OAHLLOKOSA-N 0 0 385.420 4.024 20 5 GIBDRN C[C@@H]1c2cccn2CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 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391.475 4.424 20 5 GIBDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456113451 822779119 /nfs/dbraw/zinc/77/91/19/822779119.db2.gz HCYLGGBQZRWZME-WCBMZHEXSA-N 0 0 384.276 4.417 20 5 GIBDRN C[C@@H](c1nc2ccccc2s1)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051877791 822781791 /nfs/dbraw/zinc/78/17/91/822781791.db2.gz GGZTZWPVKZOBAN-LBPRGKRZSA-N 0 0 395.444 4.448 20 5 GIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000174393084 822782973 /nfs/dbraw/zinc/78/29/73/822782973.db2.gz WBZDDJFVXIRHIN-UHFFFAOYSA-N 0 0 395.459 4.184 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C(N)=O)c1 ZINC000456158889 822785166 /nfs/dbraw/zinc/78/51/66/822785166.db2.gz FXTDIOBSHYAOFW-UHFFFAOYSA-N 0 0 387.461 4.147 20 5 GIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174403446 822785323 /nfs/dbraw/zinc/78/53/23/822785323.db2.gz LRSGJVGDYOIDHT-DZGCQCFKSA-N 0 0 391.518 4.465 20 5 GIBDRN CC(C)(C)n1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1C1CC1 ZINC000185450621 822786075 /nfs/dbraw/zinc/78/60/75/822786075.db2.gz CCGIQSBXWFBHGL-UHFFFAOYSA-N 0 0 379.420 4.224 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000456172767 822786204 /nfs/dbraw/zinc/78/62/04/822786204.db2.gz FHUFHJLHZHZUMK-UHFFFAOYSA-N 0 0 390.827 4.065 20 5 GIBDRN CCOCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185451878 822786195 /nfs/dbraw/zinc/78/61/95/822786195.db2.gz KHTMXHXRLKZVIE-UHFFFAOYSA-N 0 0 380.853 4.166 20 5 GIBDRN CC(C)Cn1ncc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3NC(C)C)cnc21 ZINC000456189633 822787324 /nfs/dbraw/zinc/78/73/24/822787324.db2.gz OZWQNAINOIDOIP-UHFFFAOYSA-N 0 0 396.451 4.068 20 5 GIBDRN O=C(N[C@H]1CC12CCOCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000456220454 822788484 /nfs/dbraw/zinc/78/84/84/822788484.db2.gz QQAPDXPHMVUWAK-SFHVURJKSA-N 0 0 384.457 4.045 20 5 GIBDRN CC[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@@H](C)O ZINC000456218361 822788551 /nfs/dbraw/zinc/78/85/51/822788551.db2.gz FIDBTSCZNWJRBV-IAQYHMDHSA-N 0 0 394.880 4.289 20 5 GIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000174442452 822790405 /nfs/dbraw/zinc/79/04/05/822790405.db2.gz DMNIWSPPHCPDNM-JTQLQIEISA-N 0 0 383.857 4.074 20 5 GIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456257239 822790683 /nfs/dbraw/zinc/79/06/83/822790683.db2.gz QNAFMRSXDPMNDE-WIYYLYMNSA-N 0 0 394.421 4.220 20 5 GIBDRN CCCN1C(=O)CCc2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000185504007 822791422 /nfs/dbraw/zinc/79/14/22/822791422.db2.gz JTXDSFWJYQEDRL-ZDUSSCGKSA-N 0 0 399.422 4.165 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000185550784 822795699 /nfs/dbraw/zinc/79/56/99/822795699.db2.gz CVEIQXPYXDLOGI-HNNXBMFYSA-N 0 0 389.521 4.276 20 5 GIBDRN CC[C@H](C)NC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000052358172 822797150 /nfs/dbraw/zinc/79/71/50/822797150.db2.gz AQQYNDXCUACEIT-AWEZNQCLSA-N 0 0 378.432 4.283 20 5 GIBDRN CC[C@H](C)NC(=O)c1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000052358383 822797177 /nfs/dbraw/zinc/79/71/77/822797177.db2.gz PCGGLAIAZQOKTJ-AWEZNQCLSA-N 0 0 378.432 4.283 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456315332 822797587 /nfs/dbraw/zinc/79/75/87/822797587.db2.gz JUWIJANWGRCGQN-BFYDXBDKSA-N 0 0 392.521 4.110 20 5 GIBDRN CC(=O)c1ccc(NCc2nn(-c3ccccc3)c3c2CCC3)c([N+](=O)[O-])c1 ZINC000052473782 822801182 /nfs/dbraw/zinc/80/11/82/822801182.db2.gz YYTJCEIMKPGDHW-UHFFFAOYSA-N 0 0 376.416 4.084 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000185604604 822801319 /nfs/dbraw/zinc/80/13/19/822801319.db2.gz LIQCSVMBOKYJPL-UONOGXRCSA-N 0 0 376.334 4.095 20 5 GIBDRN COc1cc(CNCc2ncc(C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000174571922 822806633 /nfs/dbraw/zinc/80/66/33/822806633.db2.gz LQGXJLKWQJMTHP-UHFFFAOYSA-N 0 0 399.472 4.237 20 5 GIBDRN C[C@@H](C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc([N+](=O)[O-])cc1F ZINC000456448712 822807714 /nfs/dbraw/zinc/80/77/14/822807714.db2.gz LJBMRBUXAHWYPI-CLAHSXSESA-N 0 0 382.313 4.058 20 5 GIBDRN Cc1nc(-c2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)cs1 ZINC000052736777 822808858 /nfs/dbraw/zinc/80/88/58/822808858.db2.gz LULVORUSTUKPKO-UHFFFAOYSA-N 0 0 392.440 4.438 20 5 GIBDRN CCc1[nH]nc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1[N+](=O)[O-] ZINC000185680514 822809591 /nfs/dbraw/zinc/80/95/91/822809591.db2.gz HTRKZWXNNMWDBH-UHFFFAOYSA-N 0 0 380.404 4.020 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000456497134 822810352 /nfs/dbraw/zinc/81/03/52/822810352.db2.gz DPBZRHJTQLKAAW-OCCSQVGLSA-N 0 0 380.853 4.268 20 5 GIBDRN C[C@@H](Sc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185689911 822810479 /nfs/dbraw/zinc/81/04/79/822810479.db2.gz YRYZESSAMLZALO-SECBINFHSA-N 0 0 386.351 4.439 20 5 GIBDRN Cc1cc(COc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)on1 ZINC000052795578 822810674 /nfs/dbraw/zinc/81/06/74/822810674.db2.gz MJIMNQUHIGQCJN-UHFFFAOYSA-N 0 0 378.340 4.244 20 5 GIBDRN COc1cc(CS[C@H](C)c2cnccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000185694115 822810737 /nfs/dbraw/zinc/81/07/37/822810737.db2.gz NQMJKLOIXWORTC-SNVBAGLBSA-N 0 0 385.392 4.032 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1csc2ccccc12 ZINC000052805477 822811475 /nfs/dbraw/zinc/81/14/75/822811475.db2.gz HEXCTAOXYXMWFK-CYBMUJFWSA-N 0 0 399.472 4.277 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000456510201 822811553 /nfs/dbraw/zinc/81/15/53/822811553.db2.gz NFFHOMFIZHPFCP-BPUTZDHNSA-N 0 0 386.473 4.146 20 5 GIBDRN NC(=O)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 ZINC000052888399 822813970 /nfs/dbraw/zinc/81/39/70/822813970.db2.gz HOEVYEXCMATIAR-UHFFFAOYSA-N 0 0 389.820 4.050 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052929974 822816020 /nfs/dbraw/zinc/81/60/20/822816020.db2.gz CRBBKDYEEYNJCZ-OAGGEKHMSA-N 0 0 382.464 4.281 20 5 GIBDRN COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000052927537 822816034 /nfs/dbraw/zinc/81/60/34/822816034.db2.gz SQYHSTFOUDCSGL-CQSZACIVSA-N 0 0 392.415 4.424 20 5 GIBDRN Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052928036 822816101 /nfs/dbraw/zinc/81/61/01/822816101.db2.gz HXZWIWQSGGFQJG-UHFFFAOYSA-N 0 0 390.321 4.266 20 5 GIBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000052954830 822816726 /nfs/dbraw/zinc/81/67/26/822816726.db2.gz GNGRERXRWBMUCS-UHFFFAOYSA-N 0 0 375.808 4.040 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456568491 822816911 /nfs/dbraw/zinc/81/69/11/822816911.db2.gz PFBRKPWQMLSLST-SJCJKPOMSA-N 0 0 390.823 4.362 20 5 GIBDRN Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000456574663 822817568 /nfs/dbraw/zinc/81/75/68/822817568.db2.gz MNRHBENXKLXLEI-NWDGAFQWSA-N 0 0 384.276 4.249 20 5 GIBDRN Cc1csc(C2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000185758023 822818301 /nfs/dbraw/zinc/81/83/01/822818301.db2.gz PPDKMHYJPARPBZ-GFCCVEGCSA-N 0 0 377.441 4.009 20 5 GIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456598866 822819078 /nfs/dbraw/zinc/81/90/78/822819078.db2.gz XWCPQSBKPDJQEP-ZDUSSCGKSA-N 0 0 397.250 4.379 20 5 GIBDRN CN1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000456617298 822819652 /nfs/dbraw/zinc/81/96/52/822819652.db2.gz YXPCIEUCPLHPCL-OAHLLOKOSA-N 0 0 393.365 4.315 20 5 GIBDRN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000174669697 822821261 /nfs/dbraw/zinc/82/12/61/822821261.db2.gz WMJJJAGLQRXNQQ-JTQLQIEISA-N 0 0 376.775 4.288 20 5 GIBDRN C[C@@H](OCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccccc1 ZINC000174673732 822821793 /nfs/dbraw/zinc/82/17/93/822821793.db2.gz JRAURFJAEGGKKW-OAHLLOKOSA-N 0 0 385.420 4.131 20 5 GIBDRN Cn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000053227628 822826938 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4.208 20 5 GIBDRN CC[C@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000053481569 822837163 /nfs/dbraw/zinc/83/71/63/822837163.db2.gz HTPMNTVBDAUDOV-CVEARBPZSA-N 0 0 382.464 4.425 20 5 GIBDRN C[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000053513856 822838273 /nfs/dbraw/zinc/83/82/73/822838273.db2.gz AGPPBFNHZVLCBD-GFCCVEGCSA-N 0 0 385.807 4.053 20 5 GIBDRN CCc1cc(NCc2cccc(NC(C)=O)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053562107 822840937 /nfs/dbraw/zinc/84/09/37/822840937.db2.gz NKRQJNQMLDLSPB-UHFFFAOYSA-N 0 0 391.431 4.185 20 5 GIBDRN COc1cccc([C@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000186004336 822843072 /nfs/dbraw/zinc/84/30/72/822843072.db2.gz LZFMGSJRNYGYFM-GOSISDBHSA-N 0 0 389.839 4.304 20 5 GIBDRN CSc1cccc(C(=O)NCCSCc2ccccc2F)c1[N+](=O)[O-] ZINC000186006072 822843184 /nfs/dbraw/zinc/84/31/84/822843184.db2.gz HTLUTWWDRBTVOH-UHFFFAOYSA-N 0 0 380.466 4.119 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000186009081 822843611 /nfs/dbraw/zinc/84/36/11/822843611.db2.gz XETOYWMSEOXAES-GOSISDBHSA-N 0 0 389.839 4.304 20 5 GIBDRN COc1cc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000457017667 822846570 /nfs/dbraw/zinc/84/65/70/822846570.db2.gz LYJFXMBOTMODFX-NSHDSACASA-N 0 0 386.395 4.103 20 5 GIBDRN C[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000053761229 822847385 /nfs/dbraw/zinc/84/73/85/822847385.db2.gz SLNWUKVLOUMKPM-GJZGRUSLSA-N 0 0 391.431 4.049 20 5 GIBDRN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000053794592 822848258 /nfs/dbraw/zinc/84/82/58/822848258.db2.gz OVLLMSMDVJRFSF-UHFFFAOYSA-N 0 0 399.476 4.161 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H](CCc4ccccc4)C3)co2)cc1 ZINC000186066301 822848745 /nfs/dbraw/zinc/84/87/45/822848745.db2.gz OGADHTLBLVTCMK-OAQYLSRUSA-N 0 0 393.443 4.083 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000186075500 822849504 /nfs/dbraw/zinc/84/95/04/822849504.db2.gz NVCFZXWCEOCRLG-SNVBAGLBSA-N 0 0 382.388 4.409 20 5 GIBDRN O=c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2sc3c(c21)CCCS3 ZINC000053844573 822850506 /nfs/dbraw/zinc/85/05/06/822850506.db2.gz HHCHMSGJCNWLER-UHFFFAOYSA-N 0 0 379.850 4.252 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000053866935 822851224 /nfs/dbraw/zinc/85/12/24/822851224.db2.gz QZRKJMAPXUNEPS-UHFFFAOYSA-N 0 0 389.411 4.027 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000174903349 822853348 /nfs/dbraw/zinc/85/33/48/822853348.db2.gz PBOSBRIDYICYNK-CQSZACIVSA-N 0 0 399.447 4.362 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000457222221 822861364 /nfs/dbraw/zinc/86/13/64/822861364.db2.gz XFDQZUCTLKNBGJ-AWEZNQCLSA-N 0 0 380.510 4.278 20 5 GIBDRN O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054168024 822865133 /nfs/dbraw/zinc/86/51/33/822865133.db2.gz YIUKOBNAUGXZGZ-UHFFFAOYSA-N 0 0 376.412 4.070 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000054195572 822867463 /nfs/dbraw/zinc/86/74/63/822867463.db2.gz PGXMVNZCCJJEKM-GFCCVEGCSA-N 0 0 387.461 4.097 20 5 GIBDRN Cc1ccc(OCc2nc(COc3ccc([N+](=O)[O-])cc3C=O)cs2)cc1 ZINC000054247131 822870691 /nfs/dbraw/zinc/87/06/91/822870691.db2.gz INFLDGZAFNFDHD-UHFFFAOYSA-N 0 0 384.413 4.330 20 5 GIBDRN C[C@@H](C(=O)NCc1ccncc1OCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569027927 822871044 /nfs/dbraw/zinc/87/10/44/822871044.db2.gz VZURZTCAMIKEQU-OAHLLOKOSA-N 0 0 385.464 4.225 20 5 GIBDRN O=[N+]([O-])c1ccccc1/C=C\c1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000569034483 822871697 /nfs/dbraw/zinc/87/16/97/822871697.db2.gz HKHNUPLUVYLLNO-KHPPLWFESA-N 0 0 377.400 4.245 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(Cl)c(OC)c1 ZINC000569043970 822872902 /nfs/dbraw/zinc/87/29/02/822872902.db2.gz RDSOLZZJGKYFRS-INIZCTEOSA-N 0 0 390.867 4.184 20 5 GIBDRN Cc1ccc2c(c1)N(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C[C@@H](C)O2 ZINC000175050229 822873867 /nfs/dbraw/zinc/87/38/67/822873867.db2.gz BEKQSVNVIAZQSF-CYBMUJFWSA-N 0 0 395.440 4.454 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000054314685 822875476 /nfs/dbraw/zinc/87/54/76/822875476.db2.gz UEAMEHLRSHSADK-NSHDSACASA-N 0 0 382.445 4.100 20 5 GIBDRN Cc1c(CN(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cnn1C ZINC000569065923 822875932 /nfs/dbraw/zinc/87/59/32/822875932.db2.gz DORUNDSGRLMMBC-UHFFFAOYSA-N 0 0 396.472 4.060 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2c(O)cccc21 ZINC000186323994 822876174 /nfs/dbraw/zinc/87/61/74/822876174.db2.gz UKBFOLGMHMOWOS-CQSZACIVSA-N 0 0 381.432 4.055 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC000175073945 822877932 /nfs/dbraw/zinc/87/79/32/822877932.db2.gz UMQOSFLEPLBZTK-IBGZPJMESA-N 0 0 396.472 4.172 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1[N+](=O)[O-] ZINC000186346173 822879192 /nfs/dbraw/zinc/87/91/92/822879192.db2.gz JBVKJAMIVARHBW-UHFFFAOYSA-N 0 0 399.472 4.113 20 5 GIBDRN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186352620 822880354 /nfs/dbraw/zinc/88/03/54/822880354.db2.gz JNPVFEFDLNSPOC-UHFFFAOYSA-N 0 0 385.807 4.152 20 5 GIBDRN COc1ccc(OC)c([C@H]2C[C@H]2c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1 ZINC000569153886 822884782 /nfs/dbraw/zinc/88/47/82/822884782.db2.gz UUDBNNCCUAQAFH-NVXWUHKLSA-N 0 0 395.415 4.165 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000186382650 822885335 /nfs/dbraw/zinc/88/53/35/822885335.db2.gz BDBTXBDAZWDRTM-UHFFFAOYSA-N 0 0 394.200 4.087 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cs1 ZINC000054444992 822886373 /nfs/dbraw/zinc/88/63/73/822886373.db2.gz IMHOCDGNQJUDQF-UHFFFAOYSA-N 0 0 382.854 4.299 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1[N+](=O)[O-] ZINC000186393566 822887138 /nfs/dbraw/zinc/88/71/38/822887138.db2.gz IPLRYBGQXLUSAQ-UHFFFAOYSA-N 0 0 389.314 4.005 20 5 GIBDRN CC(C)(C)OCc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)no1 ZINC000186429451 822893710 /nfs/dbraw/zinc/89/37/10/822893710.db2.gz GEEMKOARSWKZAT-UHFFFAOYSA-N 0 0 385.420 4.448 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186448129 822897276 /nfs/dbraw/zinc/89/72/76/822897276.db2.gz BBONJYVSOATMKA-OAQYLSRUSA-N 0 0 393.468 4.350 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1[N+](=O)[O-] ZINC000186457679 822898751 /nfs/dbraw/zinc/89/87/51/822898751.db2.gz URELPBXPRRAQPB-SFHVURJKSA-N 0 0 379.441 4.231 20 5 GIBDRN COc1ccccc1C(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175189608 822900789 /nfs/dbraw/zinc/90/07/89/822900789.db2.gz DTOGBWFITSUVDN-UHFFFAOYSA-N 0 0 382.338 4.287 20 5 GIBDRN CCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000186476620 822901585 /nfs/dbraw/zinc/90/15/85/822901585.db2.gz LVWFXVLJLBDMPJ-AWEZNQCLSA-N 0 0 388.489 4.419 20 5 GIBDRN Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175198579 822902275 /nfs/dbraw/zinc/90/22/75/822902275.db2.gz DVDFSCTVHSVRPF-UHFFFAOYSA-N 0 0 384.358 4.188 20 5 GIBDRN CSc1cccc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1[N+](=O)[O-] ZINC000186488132 822903483 /nfs/dbraw/zinc/90/34/83/822903483.db2.gz YJLQWSAUSHFZON-CYBMUJFWSA-N 0 0 377.491 4.231 20 5 GIBDRN Cc1ccccc1-n1nccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175207709 822904372 /nfs/dbraw/zinc/90/43/72/822904372.db2.gz LBHOXSBNSYNPNR-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-] ZINC000054748468 822909673 /nfs/dbraw/zinc/90/96/73/822909673.db2.gz AGIBEKBESSDUBO-UHFFFAOYSA-N 0 0 398.444 4.131 20 5 GIBDRN CSc1cccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)c1[N+](=O)[O-] ZINC000186540186 822910698 /nfs/dbraw/zinc/91/06/98/822910698.db2.gz QQCZIYNGYLTSSE-UHFFFAOYSA-N 0 0 390.436 4.282 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OCc2cccnc2)cc1 ZINC000054777679 822911748 /nfs/dbraw/zinc/91/17/48/822911748.db2.gz YTKHKRGAKHPWMX-CQSZACIVSA-N 0 0 395.390 4.199 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000569373582 822912755 /nfs/dbraw/zinc/91/27/55/822912755.db2.gz MDUZKMQPTHYCSZ-HXUWFJFHSA-N 0 0 376.416 4.463 20 5 GIBDRN CCC[C@H](C)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000175252447 822914798 /nfs/dbraw/zinc/91/47/98/822914798.db2.gz ZKADPVUIVVXWFU-VIFPVBQESA-N 0 0 381.230 4.236 20 5 GIBDRN CC(C)CCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000175283082 822923883 /nfs/dbraw/zinc/92/38/83/822923883.db2.gz LTFQPDKQCTZXQB-UHFFFAOYSA-N 0 0 395.415 4.114 20 5 GIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175289552 822925674 /nfs/dbraw/zinc/92/56/74/822925674.db2.gz OKSBBTXEMPVKQW-UONOGXRCSA-N 0 0 387.299 4.151 20 5 GIBDRN COc1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])c1 ZINC000186642093 822928243 /nfs/dbraw/zinc/92/82/43/822928243.db2.gz XIFCCFGTVIUIMM-UHFFFAOYSA-N 0 0 387.392 4.047 20 5 GIBDRN CC(C)[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000175299213 822928330 /nfs/dbraw/zinc/92/83/30/822928330.db2.gz BBWKYFHVOBBYQV-GOSISDBHSA-N 0 0 395.463 4.403 20 5 GIBDRN CCOc1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641926 822928353 /nfs/dbraw/zinc/92/83/53/822928353.db2.gz KPDXJGNOSVLIEF-SPLOXXLWSA-N 0 0 398.438 4.306 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC(C)C ZINC000186654278 822930166 /nfs/dbraw/zinc/93/01/66/822930166.db2.gz UJWJUOVPNPATFA-GFCCVEGCSA-N 0 0 376.384 4.272 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000175305238 822930344 /nfs/dbraw/zinc/93/03/44/822930344.db2.gz WLXTUDXBUUIUCZ-UHFFFAOYSA-N 0 0 392.839 4.362 20 5 GIBDRN COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1SC ZINC000457897170 822930350 /nfs/dbraw/zinc/93/03/50/822930350.db2.gz GRIYPQSHAWEFOP-UHFFFAOYSA-N 0 0 387.461 4.178 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1c(F)cc(F)cc1F ZINC000175309241 822931319 /nfs/dbraw/zinc/93/13/19/822931319.db2.gz RSCHQMCANATODS-UHFFFAOYSA-N 0 0 382.341 4.211 20 5 GIBDRN CC(C)Oc1ccc(F)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000569520646 822933926 /nfs/dbraw/zinc/93/39/26/822933926.db2.gz PYOCOPZDTYPTJQ-UHFFFAOYSA-N 0 0 375.400 4.228 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000055071722 822936469 /nfs/dbraw/zinc/93/64/69/822936469.db2.gz WIPYJCULYULDME-CQSZACIVSA-N 0 0 392.864 4.370 20 5 GIBDRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000457935106 822939933 /nfs/dbraw/zinc/93/99/33/822939933.db2.gz FMRLPBDSATXKLQ-LLVKDONJSA-N 0 0 382.338 4.422 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000055152514 822941584 /nfs/dbraw/zinc/94/15/84/822941584.db2.gz VPOYGPPGFLLTGL-NWDGAFQWSA-N 0 0 386.383 4.204 20 5 GIBDRN CCOc1cc(F)ccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152865 822941588 /nfs/dbraw/zinc/94/15/88/822941588.db2.gz MTEADNHUQWLQCU-SNVBAGLBSA-N 0 0 381.791 4.225 20 5 GIBDRN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457944257 822941767 /nfs/dbraw/zinc/94/17/67/822941767.db2.gz RFROLRJIOOQTLY-MRVPVSSYSA-N 0 0 385.367 4.050 20 5 GIBDRN CC[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Oc1ccccc1F ZINC000186711372 822942122 /nfs/dbraw/zinc/94/21/22/822942122.db2.gz MBZMAPSEBUGFAF-LBPRGKRZSA-N 0 0 378.425 4.043 20 5 GIBDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000055156257 822942261 /nfs/dbraw/zinc/94/22/61/822942261.db2.gz OWXLCCJETOQAIA-ZDUSSCGKSA-N 0 0 395.419 4.393 20 5 GIBDRN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1Cl ZINC000186722955 822944631 /nfs/dbraw/zinc/94/46/31/822944631.db2.gz OTWCQALHLMLMSG-UHFFFAOYSA-N 0 0 399.756 4.378 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457962688 822944714 /nfs/dbraw/zinc/94/47/14/822944714.db2.gz PWZXTDXYESROGY-AWEZNQCLSA-N 0 0 396.472 4.255 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000175382702 822953187 /nfs/dbraw/zinc/95/31/87/822953187.db2.gz 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CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055591130 822983114 /nfs/dbraw/zinc/98/31/14/822983114.db2.gz YITLBULGOONOHG-UHFFFAOYSA-N 0 0 396.230 4.294 20 5 GIBDRN O=C(Nc1ccc(CCC(F)(F)F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000175494061 822983208 /nfs/dbraw/zinc/98/32/08/822983208.db2.gz SKMRQHCSQUKPFJ-UHFFFAOYSA-N 0 0 378.310 4.218 20 5 GIBDRN CCCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000055594984 822984967 /nfs/dbraw/zinc/98/49/67/822984967.db2.gz PKLNMCRMDVFTKM-UHFFFAOYSA-N 0 0 392.795 4.076 20 5 GIBDRN COCCOc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000055601347 822985985 /nfs/dbraw/zinc/98/59/85/822985985.db2.gz ZASALAYOSTXZMJ-AWEZNQCLSA-N 0 0 390.461 4.048 20 5 GIBDRN CC(C)c1nnc(CCC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000175513424 822988019 /nfs/dbraw/zinc/98/80/19/822988019.db2.gz AXMOGOUZQCWSNC-UHFFFAOYSA-N 0 0 392.843 4.130 20 5 GIBDRN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055619516 822988413 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Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055660456 822995382 /nfs/dbraw/zinc/99/53/82/822995382.db2.gz DXJHRTUYVKFTOH-OAQYLSRUSA-N 0 0 382.463 4.267 20 5 GIBDRN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175549986 822995415 /nfs/dbraw/zinc/99/54/15/822995415.db2.gz LKHUMTRWLYIFBU-UHFFFAOYSA-N 0 0 399.204 4.067 20 5 GIBDRN Cc1ccc(CCCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000175550678 822995670 /nfs/dbraw/zinc/99/56/70/822995670.db2.gz BDORTSYBECSIAF-UHFFFAOYSA-N 0 0 376.434 4.087 20 5 GIBDRN CCO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000175552216 822995881 /nfs/dbraw/zinc/99/58/81/822995881.db2.gz CAZXDILXFKYJST-INIZCTEOSA-N 0 0 399.285 4.073 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000055688298 822999534 /nfs/dbraw/zinc/99/95/34/822999534.db2.gz ASGXVGMTIOAULQ-UHFFFAOYSA-N 0 0 389.839 4.419 20 5 GIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)c1 ZINC000055709327 823001455 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O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175622263 823008296 /nfs/dbraw/zinc/00/82/96/823008296.db2.gz XJKQKVMVBZCWSR-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN CCc1ccc([C@@H](COC)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000175625900 823009032 /nfs/dbraw/zinc/00/90/32/823009032.db2.gz ZNWWSVSLTOVVBF-GOSISDBHSA-N 0 0 389.452 4.058 20 5 GIBDRN CC[C@]1(CO)CCCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000187097027 823010154 /nfs/dbraw/zinc/01/01/54/823010154.db2.gz CFEAZPJBDDCRAO-FQEVSTJZSA-N 0 0 394.537 4.358 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000175640444 823011277 /nfs/dbraw/zinc/01/12/77/823011277.db2.gz HLAGEJAJWFIICK-HNNXBMFYSA-N 0 0 392.521 4.273 20 5 GIBDRN Cc1ccc(Cl)c2sc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])nc21 ZINC000570186658 823013486 /nfs/dbraw/zinc/01/34/86/823013486.db2.gz SJNGTXAWUDNAML-UHFFFAOYSA-N 0 0 379.829 4.265 20 5 GIBDRN Cc1[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc1-c1ccccc1 ZINC000187134019 823015736 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ZINC000570431808 823037209 /nfs/dbraw/zinc/03/72/09/823037209.db2.gz BGSWPKNXLAUZAT-INIZCTEOSA-N 0 0 393.447 4.376 20 5 GIBDRN CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175775470 823037314 /nfs/dbraw/zinc/03/73/14/823037314.db2.gz ZBWULTSZGICFHR-UHFFFAOYSA-N 0 0 377.784 4.093 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000055753916 823037681 /nfs/dbraw/zinc/03/76/81/823037681.db2.gz OSELJXMRAFTJQM-CQSZACIVSA-N 0 0 381.432 4.170 20 5 GIBDRN CC[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000570444577 823039307 /nfs/dbraw/zinc/03/93/07/823039307.db2.gz SAHWCKAOINMRKV-GOSISDBHSA-N 0 0 377.448 4.280 20 5 GIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175786131 823040076 /nfs/dbraw/zinc/04/00/76/823040076.db2.gz SDBKHEZHSXXNNW-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN O=C(NCc1ccc2ccccc2n1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458436567 823040088 /nfs/dbraw/zinc/04/00/88/823040088.db2.gz YGCTYNRIXUYXPJ-GOSISDBHSA-N 0 0 390.443 4.232 20 5 GIBDRN Cc1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cccc1C(=O)N1CCCC1 ZINC000175786781 823040274 /nfs/dbraw/zinc/04/02/74/823040274.db2.gz UVBSHYDJEJJSLR-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000055778601 823042970 /nfs/dbraw/zinc/04/29/70/823042970.db2.gz CRIROYAUQJYOHX-MRXNPFEDSA-N 0 0 375.768 4.134 20 5 GIBDRN CCn1c(COc2ccc(C)cc2)nnc1SCc1csc([N+](=O)[O-])c1 ZINC000123824881 823543391 /nfs/dbraw/zinc/54/33/91/823543391.db2.gz DIPGSBSHTLROTF-UHFFFAOYSA-N 0 0 390.490 4.447 20 5 GIBDRN CCOc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000411108175 823547709 /nfs/dbraw/zinc/54/77/09/823547709.db2.gz ITSCBUAUXAPAJW-SJLPKXTDSA-N 0 0 398.459 4.410 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cccc(COc2ccccc2)c1 ZINC000060611675 823547799 /nfs/dbraw/zinc/54/77/99/823547799.db2.gz XGNNLBBDVBLIHM-UHFFFAOYSA-N 0 0 391.427 4.173 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000411151763 823552197 /nfs/dbraw/zinc/55/21/97/823552197.db2.gz DPOIBDFCAAZVRL-SFHVURJKSA-N 0 0 383.448 4.054 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)cc2[N+](=O)[O-])CC1 ZINC000460966304 823552214 /nfs/dbraw/zinc/55/22/14/823552214.db2.gz BYACUXXJDPAZDY-FQEVSTJZSA-N 0 0 383.492 4.236 20 5 GIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411254974 823560567 /nfs/dbraw/zinc/56/05/67/823560567.db2.gz OKDZKQJLHXKNFW-NLWGTHIKSA-N 0 0 396.443 4.079 20 5 GIBDRN CCCOc1ccc([C@H](C)NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1OC ZINC000124042069 823562417 /nfs/dbraw/zinc/56/24/17/823562417.db2.gz KHKBSBMSZMVRRH-ZDUSSCGKSA-N 0 0 390.411 4.331 20 5 GIBDRN COc1ccc(OC)c(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000060861182 823563088 /nfs/dbraw/zinc/56/30/88/823563088.db2.gz QHBJWRXAJZIFRV-UHFFFAOYSA-N 0 0 394.431 4.032 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CCc4c3cccc4F)cc2[N+](=O)[O-])CC1 ZINC000461054160 823566779 /nfs/dbraw/zinc/56/67/79/823566779.db2.gz OUVKIDSRMFQZRX-UHFFFAOYSA-N 0 0 383.423 4.173 20 5 GIBDRN CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000190414958 823570787 /nfs/dbraw/zinc/57/07/87/823570787.db2.gz SPJFMIPEFQOHSI-ZFWWWQNUSA-N 0 0 384.358 4.162 20 5 GIBDRN CCCOc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000411445960 823574954 /nfs/dbraw/zinc/57/49/54/823574954.db2.gz HTRPKXGZLHBUNT-MDASCCDHSA-N 0 0 398.459 4.373 20 5 GIBDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000124185935 823575543 /nfs/dbraw/zinc/57/55/43/823575543.db2.gz NDTOGECQDVUJTF-KRWDZBQOSA-N 0 0 387.480 4.151 20 5 GIBDRN O=C(Nc1nccc2sccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461105589 823578428 /nfs/dbraw/zinc/57/84/28/823578428.db2.gz YJYOVQJFQAQWQQ-UHFFFAOYSA-N 0 0 378.207 4.219 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000061113895 823578822 /nfs/dbraw/zinc/57/88/22/823578822.db2.gz JIFCHZZZMCDUDD-UHFFFAOYSA-N 0 0 380.404 4.229 20 5 GIBDRN Cc1ccc(Br)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124229323 823579282 /nfs/dbraw/zinc/57/92/82/823579282.db2.gz MLENIMGFURMRHP-UHFFFAOYSA-N 0 0 390.237 4.256 20 5 GIBDRN O=C(N[C@@H]1CCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000061142460 823580643 /nfs/dbraw/zinc/58/06/43/823580643.db2.gz VTCDJCRYASNARQ-MRXNPFEDSA-N 0 0 394.349 4.343 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000190501624 823581440 /nfs/dbraw/zinc/58/14/40/823581440.db2.gz LZBQBQNCPSSYQB-UHFFFAOYSA-N 0 0 376.796 4.395 20 5 GIBDRN CCOc1cccc2cc([C@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3F)oc21 ZINC000124272667 823582911 /nfs/dbraw/zinc/58/29/11/823582911.db2.gz JUXABQWCUURIBX-LBPRGKRZSA-N 0 0 386.379 4.299 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000061190480 823583195 /nfs/dbraw/zinc/58/31/95/823583195.db2.gz ADKFQXTVUHSJQY-HNNXBMFYSA-N 0 0 392.459 4.395 20 5 GIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1cccc2ccccc21 ZINC000061193662 823583538 /nfs/dbraw/zinc/58/35/38/823583538.db2.gz BYXCOURBFDWUTB-UHFFFAOYSA-N 0 0 392.367 4.042 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000190547972 823585206 /nfs/dbraw/zinc/58/52/06/823585206.db2.gz WBKDXTDRUMBCKQ-UHFFFAOYSA-N 0 0 380.444 4.453 20 5 GIBDRN COC(=O)c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(F)cc1F ZINC000190557452 823586275 /nfs/dbraw/zinc/58/62/75/823586275.db2.gz BQVZNLVLBJOEJM-UHFFFAOYSA-N 0 0 378.331 4.035 20 5 GIBDRN O=C(NC1CC(c2cccc(Cl)c2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461144468 823587067 /nfs/dbraw/zinc/58/70/67/823587067.db2.gz DRMKLDQYWPITAY-UHFFFAOYSA-N 0 0 396.834 4.110 20 5 GIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)cc1[N+](=O)[O-] ZINC000124322976 823587301 /nfs/dbraw/zinc/58/73/01/823587301.db2.gz KADSBHRCTIGOSW-UHFFFAOYSA-N 0 0 381.413 4.209 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000124334981 823588162 /nfs/dbraw/zinc/58/81/62/823588162.db2.gz WBUKGCPZRVKACI-INIZCTEOSA-N 0 0 396.428 4.039 20 5 GIBDRN COCc1nc(C)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000124368483 823590776 /nfs/dbraw/zinc/59/07/76/823590776.db2.gz ZBLYJZRBDBKSQA-UHFFFAOYSA-N 0 0 395.868 4.216 20 5 GIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(F)c(F)cc1F ZINC000124376167 823591682 /nfs/dbraw/zinc/59/16/82/823591682.db2.gz UPNDGOYNAKTGNB-UHFFFAOYSA-N 0 0 379.319 4.388 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC(c1cccs1)c1cccs1 ZINC000124386342 823592386 /nfs/dbraw/zinc/59/23/86/823592386.db2.gz GNOBNZYLEGVWER-UHFFFAOYSA-N 0 0 387.486 4.349 20 5 GIBDRN COc1cc(OC)cc(-c2cccc(NCc3ccc(OC)c([N+](=O)[O-])c3)n2)c1 ZINC000461210068 823599249 /nfs/dbraw/zinc/59/92/49/823599249.db2.gz FJYZZIPLOVMFSL-UHFFFAOYSA-N 0 0 395.415 4.295 20 5 GIBDRN Cc1nc2ccccc2c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000124495094 823601329 /nfs/dbraw/zinc/60/13/29/823601329.db2.gz OYCVEOXYLVRZGM-LBPRGKRZSA-N 0 0 382.445 4.274 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000124533642 823604284 /nfs/dbraw/zinc/60/42/84/823604284.db2.gz LQNNXCOVZBLLGX-XLIONFOSSA-N 0 0 397.475 4.149 20 5 GIBDRN CC[C@H](C)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCCO1 ZINC000461254964 823605612 /nfs/dbraw/zinc/60/56/12/823605612.db2.gz YDDKDIWNZPMRGI-YJBOKZPZSA-N 0 0 399.495 4.048 20 5 GIBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000124551193 823605860 /nfs/dbraw/zinc/60/58/60/823605860.db2.gz FAPFOLKPFWHOLJ-UHFFFAOYSA-N 0 0 399.790 4.399 20 5 GIBDRN Cc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1[N+](=O)[O-] ZINC000461259971 823606929 /nfs/dbraw/zinc/60/69/29/823606929.db2.gz AOCRUESURJUMDA-ZDUSSCGKSA-N 0 0 398.385 4.032 20 5 GIBDRN CC[C@H](SC)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000124595380 823609578 /nfs/dbraw/zinc/60/95/78/823609578.db2.gz UJAVPLVAJPOQIG-SFHVURJKSA-N 0 0 399.424 4.415 20 5 GIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411829881 823609856 /nfs/dbraw/zinc/60/98/56/823609856.db2.gz WBNWFMZQOSTMCV-LHHMISFZSA-N 0 0 390.361 4.389 20 5 GIBDRN CO[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000461284280 823611567 /nfs/dbraw/zinc/61/15/67/823611567.db2.gz PGDALAJQMPEURD-OLZOCXBDSA-N 0 0 391.855 4.014 20 5 GIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H](C)c2nccs2)cc1OC ZINC000411889681 823613190 /nfs/dbraw/zinc/61/31/90/823613190.db2.gz XSJFGDKRMPTQBT-OLZOCXBDSA-N 0 0 379.482 4.336 20 5 GIBDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000461302282 823614032 /nfs/dbraw/zinc/61/40/32/823614032.db2.gz SPNRCNKTEPUJRF-JLTOFOAXSA-N 0 0 381.407 4.298 20 5 GIBDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000461335707 823619604 /nfs/dbraw/zinc/61/96/04/823619604.db2.gz VMGWEHWELQTLHZ-JLTOFOAXSA-N 0 0 394.406 4.143 20 5 GIBDRN CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000124772492 823625008 /nfs/dbraw/zinc/62/50/08/823625008.db2.gz XMHJZWHDWQHFGZ-NSHDSACASA-N 0 0 384.255 4.003 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CS[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190925446 823625389 /nfs/dbraw/zinc/62/53/89/823625389.db2.gz JBVOGIRVUAWNMP-GFCCVEGCSA-N 0 0 381.475 4.001 20 5 GIBDRN Cc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1[N+](=O)[O-] ZINC000062246175 823626042 /nfs/dbraw/zinc/62/60/42/823626042.db2.gz DDSVBMLOVIXVQD-UHFFFAOYSA-N 0 0 384.255 4.391 20 5 GIBDRN O=C(CC1CCC(C(F)(F)F)CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461385617 823627528 /nfs/dbraw/zinc/62/75/28/823627528.db2.gz JLYKUBOZESIQKO-UHFFFAOYSA-N 0 0 386.370 4.075 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000412122383 823627995 /nfs/dbraw/zinc/62/79/95/823627995.db2.gz MVIVFYGMQVSIHB-NWDGAFQWSA-N 0 0 396.287 4.042 20 5 GIBDRN CCSCc1cccc(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC000412125791 823628133 /nfs/dbraw/zinc/62/81/33/823628133.db2.gz JPUHBMGCXHPUMX-UHFFFAOYSA-N 0 0 378.425 4.177 20 5 GIBDRN O=C(c1ccccc1CCC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461400062 823629606 /nfs/dbraw/zinc/62/96/06/823629606.db2.gz SXYDWZRTUKVLTC-UHFFFAOYSA-N 0 0 394.349 4.125 20 5 GIBDRN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461403518 823630139 /nfs/dbraw/zinc/63/01/39/823630139.db2.gz PJGZKTHBNIVVCL-JKSUJKDBSA-N 0 0 380.444 4.305 20 5 GIBDRN O=C(CSc1ccc2ccccc2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461405340 823630359 /nfs/dbraw/zinc/63/03/59/823630359.db2.gz SSFOPFMPUUSBSZ-UHFFFAOYSA-N 0 0 394.452 4.261 20 5 GIBDRN O=C(N[C@@H](CO)C1CCCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000461404929 823630379 /nfs/dbraw/zinc/63/03/79/823630379.db2.gz FHHUUXGSBVHIMN-SFHVURJKSA-N 0 0 392.521 4.158 20 5 GIBDRN C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000461407559 823630763 /nfs/dbraw/zinc/63/07/63/823630763.db2.gz PKQIPZUPXZDCLO-LBPRGKRZSA-N 0 0 394.349 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GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000163658388 823733534 /nfs/dbraw/zinc/73/35/34/823733534.db2.gz KNRIUNUZNBSGNA-UHFFFAOYSA-N 0 0 387.439 4.391 20 5 GIBDRN Cc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461878890 823734933 /nfs/dbraw/zinc/73/49/33/823734933.db2.gz WHMVVUZCPQWJIM-LLVKDONJSA-N 0 0 382.342 4.176 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(NCCO[C@H]3CCCCO3)c([N+](=O)[O-])c2)cc1 ZINC000461881053 823736045 /nfs/dbraw/zinc/73/60/45/823736045.db2.gz HWEOBHXCQIXLMM-FQEVSTJZSA-N 0 0 399.447 4.111 20 5 GIBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000064029968 823737335 /nfs/dbraw/zinc/73/73/35/823737335.db2.gz YGPKQJMKSYOZJX-JTQLQIEISA-N 0 0 379.210 4.302 20 5 GIBDRN CCCCc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000064078584 823743252 /nfs/dbraw/zinc/74/32/52/823743252.db2.gz PYUQTVRDGSBPTD-UHFFFAOYSA-N 0 0 385.468 4.149 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](c4ncc5n4CCCC5)C3)c2c1 ZINC000413276355 823743782 /nfs/dbraw/zinc/74/37/82/823743782.db2.gz BXKRPWXAACOJDX-MRXNPFEDSA-N 0 0 377.448 4.060 20 5 GIBDRN O=C(c1sccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163752339 823745466 /nfs/dbraw/zinc/74/54/66/823745466.db2.gz KJKRTOLZFHIKJP-UHFFFAOYSA-N 0 0 381.251 4.224 20 5 GIBDRN O=[N+]([O-])c1cnc(NCCc2cc(C(F)(F)F)ccn2)c(C(F)(F)F)c1 ZINC000413304640 823748500 /nfs/dbraw/zinc/74/85/00/823748500.db2.gz XXKQYHHSEIHYGS-UHFFFAOYSA-N 0 0 380.248 4.077 20 5 GIBDRN COc1cc(CN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1O ZINC000125944616 823750174 /nfs/dbraw/zinc/75/01/74/823750174.db2.gz KODMGAGLWHJJGO-UHFFFAOYSA-N 0 0 385.445 4.065 20 5 GIBDRN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000191741104 823753201 /nfs/dbraw/zinc/75/32/01/823753201.db2.gz SBCQFAKNHKECPE-GDBMZVCRSA-N 0 0 390.823 4.338 20 5 GIBDRN CC1(C)C[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000413331383 823754006 /nfs/dbraw/zinc/75/40/06/823754006.db2.gz HGJBAYOXVUNNSS-SECBINFHSA-N 0 0 383.317 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ZINC000461983547 823782236 /nfs/dbraw/zinc/78/22/36/823782236.db2.gz LZWUKIGTPUZWBL-UHFFFAOYSA-N 0 0 385.427 4.335 20 5 GIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000191824439 823785084 /nfs/dbraw/zinc/78/50/84/823785084.db2.gz JWDYVEZRIBDVJU-SECBINFHSA-N 0 0 384.841 4.284 20 5 GIBDRN O=C(NC1CC1)c1ccc(NCc2cccc(-c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000164217639 823787152 /nfs/dbraw/zinc/78/71/52/823787152.db2.gz YYQGFQMUPHSLHL-UHFFFAOYSA-N 0 0 388.427 4.161 20 5 GIBDRN Cc1ccccc1[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000126105273 823789065 /nfs/dbraw/zinc/78/90/65/823789065.db2.gz UWVCADLOIFQAEX-KXBFYZLASA-N 0 0 394.431 4.088 20 5 GIBDRN CSCC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000164244236 823789352 /nfs/dbraw/zinc/78/93/52/823789352.db2.gz MTBFDVCTOYPKGE-GOEBONIOSA-N 0 0 385.493 4.091 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)no1 ZINC000064330154 823794051 /nfs/dbraw/zinc/79/40/51/823794051.db2.gz 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O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@H](Cc2ccccc2)C1 ZINC000126200819 823811148 /nfs/dbraw/zinc/81/11/48/823811148.db2.gz YYKJMYPFJOICGD-CQSZACIVSA-N 0 0 389.249 4.062 20 5 GIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000064422421 823816303 /nfs/dbraw/zinc/81/63/03/823816303.db2.gz LPDAWECHOAWEIM-UHFFFAOYSA-N 0 0 389.839 4.163 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2cccc(OCCC(C)C)c2)cc([N+](=O)[O-])c1 ZINC000064424410 823817191 /nfs/dbraw/zinc/81/71/91/823817191.db2.gz LCCVAOCIOMVZST-UHFFFAOYSA-N 0 0 386.404 4.059 20 5 GIBDRN O=C(NCc1ccccc1OCC(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126260961 823823334 /nfs/dbraw/zinc/82/33/34/823823334.db2.gz KELSERSLNYYARC-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN CCCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000413719267 823824748 /nfs/dbraw/zinc/82/47/48/823824748.db2.gz FTEZPOOURWXSPZ-ZCNNSNEGSA-N 0 0 379.460 4.410 20 5 GIBDRN COc1ccccc1N1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462089992 823824892 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396.369 4.323 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c1 ZINC000574840217 823839813 /nfs/dbraw/zinc/83/98/13/823839813.db2.gz LKVRWIIUJVGFIQ-UHFFFAOYSA-N 0 0 378.388 4.391 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000413834124 823847742 /nfs/dbraw/zinc/84/77/42/823847742.db2.gz MECHDDUHMWOZBX-UWJYYQICSA-N 0 0 395.459 4.081 20 5 GIBDRN COc1cc(-c2nc(C(C)(C)Cc3ccccc3)no2)cc([N+](=O)[O-])c1OC ZINC000574871642 823848850 /nfs/dbraw/zinc/84/88/50/823848850.db2.gz ZPFFBFFRVRXVCJ-UHFFFAOYSA-N 0 0 383.404 4.182 20 5 GIBDRN CC(C)(C)c1nc2ccc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2s1 ZINC000462169716 823852100 /nfs/dbraw/zinc/85/21/00/823852100.db2.gz MHLQLQKLDVNVLO-UHFFFAOYSA-N 0 0 384.461 4.213 20 5 GIBDRN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413880837 823857044 /nfs/dbraw/zinc/85/70/44/823857044.db2.gz MXHTVBMEBUNRNJ-UHFFFAOYSA-N 0 0 397.475 4.064 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096561 823859176 /nfs/dbraw/zinc/85/91/76/823859176.db2.gz DNCUGOBFHCJDIP-KBXCAEBGSA-N 0 0 391.786 4.148 20 5 GIBDRN CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000574920671 823860716 /nfs/dbraw/zinc/86/07/16/823860716.db2.gz UZLFFWIFRIAQEN-UHFFFAOYSA-N 0 0 382.342 4.107 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000574929406 823862489 /nfs/dbraw/zinc/86/24/89/823862489.db2.gz CTHNOLCOLRDGKQ-GFCCVEGCSA-N 0 0 387.745 4.320 20 5 GIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(F)c1F ZINC000165775023 823862770 /nfs/dbraw/zinc/86/27/70/823862770.db2.gz YZYFDQFRFINYHZ-LBPRGKRZSA-N 0 0 375.375 4.308 20 5 GIBDRN CC(C)c1ccc(CN(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000064691721 823864792 /nfs/dbraw/zinc/86/47/92/823864792.db2.gz CMAOIZXWBOVEJY-UHFFFAOYSA-N 0 0 392.459 4.391 20 5 GIBDRN CC(C)c1ccc(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000064693221 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CC(C)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064785200 823886171 /nfs/dbraw/zinc/88/61/71/823886171.db2.gz IHHIDVLSMAISFP-GFCCVEGCSA-N 0 0 378.812 4.441 20 5 GIBDRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000414020079 823890504 /nfs/dbraw/zinc/89/05/04/823890504.db2.gz QXGBBYXYENXPRT-CYBMUJFWSA-N 0 0 396.871 4.222 20 5 GIBDRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000064828065 823893680 /nfs/dbraw/zinc/89/36/80/823893680.db2.gz FKATZELELGYSLI-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN O=C(Nc1cccc(-c2nccs2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000064833830 823896567 /nfs/dbraw/zinc/89/65/67/823896567.db2.gz BDAQNWVQDACJCF-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN CSc1ccc(Cl)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064848196 823899449 /nfs/dbraw/zinc/89/94/49/823899449.db2.gz CFRXLZPHBZGBTG-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000126597372 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20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126659560 823921370 /nfs/dbraw/zinc/92/13/70/823921370.db2.gz KUPVZNQDXOJJFE-UHFFFAOYSA-N 0 0 389.415 4.060 20 5 GIBDRN CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000064975062 823921638 /nfs/dbraw/zinc/92/16/38/823921638.db2.gz SOXLGZDHPQVOCY-UHFFFAOYSA-N 0 0 388.411 4.353 20 5 GIBDRN CSc1ccc(C(=O)N[C@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000170628475 823921990 /nfs/dbraw/zinc/92/19/90/823921990.db2.gz YLKKCPYHTSSXCV-CQSZACIVSA-N 0 0 378.450 4.053 20 5 GIBDRN COc1cc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(OC)c1Cl ZINC000414176504 823923357 /nfs/dbraw/zinc/92/33/57/823923357.db2.gz JBHULUJOTFBLOJ-STQMWFEESA-N 0 0 380.832 4.058 20 5 GIBDRN Cc1c(CS(=O)(=O)Cc2csc(CCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000065039300 823928794 /nfs/dbraw/zinc/92/87/94/823928794.db2.gz LQGTXFINPYSNSH-UHFFFAOYSA-N 0 0 382.507 4.063 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170670573 823932017 /nfs/dbraw/zinc/93/20/17/823932017.db2.gz DWWCWRYYPYTMKB-MRXNPFEDSA-N 0 0 391.431 4.081 20 5 GIBDRN Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000065072716 823936432 /nfs/dbraw/zinc/93/64/32/823936432.db2.gz UHFYGSGVYJQVAY-UHFFFAOYSA-N 0 0 380.400 4.314 20 5 GIBDRN CC[C@H]1CCCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462352136 823936500 /nfs/dbraw/zinc/93/65/00/823936500.db2.gz ZRLOKXZXNCHVHP-NSHDSACASA-N 0 0 381.281 4.245 20 5 GIBDRN Cc1ccc(-c2nnc(NC(=O)CCNc3ccccc3[N+](=O)[O-])s2)c(C)c1 ZINC000065084758 823938651 /nfs/dbraw/zinc/93/86/51/823938651.db2.gz OXNLOLPNRMPYRQ-UHFFFAOYSA-N 0 0 397.460 4.171 20 5 GIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462397705 823959325 /nfs/dbraw/zinc/95/93/25/823959325.db2.gz RIDYKPPUFJLKJK-WWGRRREGSA-N 0 0 394.880 4.203 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000126837547 823963055 /nfs/dbraw/zinc/96/30/55/823963055.db2.gz SSSFIJFXUYQHSC-LJQANCHMSA-N 0 0 381.819 4.471 20 5 GIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H](n2cccn2)C1 ZINC000462410786 823964033 /nfs/dbraw/zinc/96/40/33/823964033.db2.gz PFAQIHDOCASBKU-KRWDZBQOSA-N 0 0 394.456 4.030 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(Cl)ccc1OC ZINC000462415377 823966508 /nfs/dbraw/zinc/96/65/08/823966508.db2.gz HMSPMYKTTWFUTM-OAHLLOKOSA-N 0 0 390.867 4.484 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000462422730 823969405 /nfs/dbraw/zinc/96/94/05/823969405.db2.gz OWSTXHLMRCDSBL-HRAATJIYSA-N 0 0 382.460 4.440 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Cl)ccc1OC ZINC000462422912 823969632 /nfs/dbraw/zinc/96/96/32/823969632.db2.gz QPQDRZZSTZJJRF-CQSZACIVSA-N 0 0 376.840 4.142 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000462437612 823975322 /nfs/dbraw/zinc/97/53/22/823975322.db2.gz SHEONJJQBIYNBD-SFHVURJKSA-N 0 0 382.460 4.363 20 5 GIBDRN Cc1c(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000192409324 823976337 /nfs/dbraw/zinc/97/63/37/823976337.db2.gz XSWSRYGRECESMI-UHFFFAOYSA-N 0 0 389.839 4.072 20 5 GIBDRN COC(=O)C[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000575781701 823993566 /nfs/dbraw/zinc/99/35/66/823993566.db2.gz QVTBUWVNYAOQFE-LLVKDONJSA-N 0 0 394.474 4.335 20 5 GIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000170870661 823995276 /nfs/dbraw/zinc/99/52/76/823995276.db2.gz WIEAXPDPZCZOPN-MRXNPFEDSA-N 0 0 397.475 4.348 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000192459105 823998204 /nfs/dbraw/zinc/99/82/04/823998204.db2.gz XXASGEFPNYUNFL-INIZCTEOSA-N 0 0 394.349 4.136 20 5 GIBDRN C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000170899197 824002761 /nfs/dbraw/zinc/00/27/61/824002761.db2.gz WAENJTCRJBZKBP-LBPRGKRZSA-N 0 0 375.375 4.308 20 5 GIBDRN COc1cccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2cc(F)ccc2OC)c1 ZINC000192474542 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COc1ccc2nc(-c3noc(C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)ccc2c1 ZINC000571131252 823137837 /nfs/dbraw/zinc/13/78/37/823137837.db2.gz IUSBKUMTIKDYIY-UHFFFAOYSA-N 0 0 398.325 4.342 20 5 GIBDRN CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000187817245 823139443 /nfs/dbraw/zinc/13/94/43/823139443.db2.gz QZTDGCZOSBEZNX-PWFNWSNSSA-N 0 0 388.489 4.289 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056401552 823143712 /nfs/dbraw/zinc/14/37/12/823143712.db2.gz FHLGZSKKGRSCHI-NEPJUHHUSA-N 0 0 379.363 4.318 20 5 GIBDRN COc1ccccc1C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000176174165 823144937 /nfs/dbraw/zinc/14/49/37/823144937.db2.gz MUSPHAGQZPANQE-SFHVURJKSA-N 0 0 385.464 4.012 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176164450 823140752 /nfs/dbraw/zinc/14/07/52/823140752.db2.gz KDHLKABSTCXPII-UHFFFAOYSA-N 0 0 391.427 4.205 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1occc1-c1ccc(F)cc1 ZINC000571201861 823147671 /nfs/dbraw/zinc/14/76/71/823147671.db2.gz SARIJUHUXDNZEK-UHFFFAOYSA-N 0 0 393.374 4.448 20 5 GIBDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176189857 823148827 /nfs/dbraw/zinc/14/88/27/823148827.db2.gz DKGJDOPSYOFPNC-RYUDHWBXSA-N 0 0 377.238 4.279 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000459243377 823150545 /nfs/dbraw/zinc/15/05/45/823150545.db2.gz MFVAFLVEGHPYSV-LBPRGKRZSA-N 0 0 394.378 4.124 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000121266812 823151475 /nfs/dbraw/zinc/15/14/75/823151475.db2.gz BTHSPWYYZCRBLK-UHFFFAOYSA-N 0 0 396.777 4.210 20 5 GIBDRN COCc1nc(Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cs1 ZINC000571245093 823154711 /nfs/dbraw/zinc/15/47/11/823154711.db2.gz MLZVMINBAZOHOZ-UHFFFAOYSA-N 0 0 388.430 4.053 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000176242397 823161415 /nfs/dbraw/zinc/16/14/15/823161415.db2.gz GSRZHUZRXPIWQP-UHFFFAOYSA-N 0 0 388.395 4.100 20 5 GIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176242156 823161002 /nfs/dbraw/zinc/16/10/02/823161002.db2.gz YBUCJECAMNVFKB-DIFFPNOSSA-N 0 0 380.803 4.202 20 5 GIBDRN CCCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cn1 ZINC000121323130 823163290 /nfs/dbraw/zinc/16/32/90/823163290.db2.gz RUNPFSFCQRZNOA-UHFFFAOYSA-N 0 0 379.420 4.066 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)CC1CC1 ZINC000571310113 823163716 /nfs/dbraw/zinc/16/37/16/823163716.db2.gz SJJPRRGINMTVGL-UHFFFAOYSA-N 0 0 387.867 4.413 20 5 GIBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176263596 823166648 /nfs/dbraw/zinc/16/66/48/823166648.db2.gz IPONKJMLOUSNKI-KPHLJTLVSA-N 0 0 395.868 4.211 20 5 GIBDRN CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000571391368 823176508 /nfs/dbraw/zinc/17/65/08/823176508.db2.gz ATJTVGRBMORRHX-OAHLLOKOSA-N 0 0 386.795 4.179 20 5 GIBDRN O=C(c1cnc(-c2ccccc2F)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121402889 823178149 /nfs/dbraw/zinc/17/81/49/823178149.db2.gz DMNWWXCINLGPHN-UHFFFAOYSA-N 0 0 383.404 4.056 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000176340339 823186747 /nfs/dbraw/zinc/18/67/47/823186747.db2.gz LXPDVKRBFDAIDZ-LJQANCHMSA-N 0 0 388.851 4.112 20 5 GIBDRN Cc1noc(CCC(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)n1 ZINC000121485115 823192801 /nfs/dbraw/zinc/19/28/01/823192801.db2.gz OCSSTTIBVKKQJK-UHFFFAOYSA-N 0 0 385.427 4.212 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)n1 ZINC000176389314 823196689 /nfs/dbraw/zinc/19/66/89/823196689.db2.gz YQYPBLMAATUODO-UHFFFAOYSA-N 0 0 398.444 4.490 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000176391013 823196935 /nfs/dbraw/zinc/19/69/35/823196935.db2.gz ALOLCKIBOOHKBL-HOTGVXAUSA-N 0 0 393.447 4.210 20 5 GIBDRN Cc1c([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000176397200 823199054 /nfs/dbraw/zinc/19/90/54/823199054.db2.gz UZSSEUGRCALUBQ-AWEZNQCLSA-N 0 0 396.422 4.038 20 5 GIBDRN Cc1c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000176398524 823199469 /nfs/dbraw/zinc/19/94/69/823199469.db2.gz ONHDLMFKWQOLAX-LLVKDONJSA-N 0 0 386.795 4.098 20 5 GIBDRN O=[N+]([O-])c1ccc([C@H](NC[C@@H]2CCN(c3ccccc3)C2)C(F)(F)F)cc1 ZINC000571529284 823196109 /nfs/dbraw/zinc/19/61/09/823196109.db2.gz FCZOESPYZPKNEN-KSSFIOAISA-N 0 0 379.382 4.314 20 5 GIBDRN Cc1sc(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000571598733 823205484 /nfs/dbraw/zinc/20/54/84/823205484.db2.gz RDSQPHNSEXTHSP-CQSZACIVSA-N 0 0 395.484 4.489 20 5 GIBDRN CCCOc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000056747154 823205656 /nfs/dbraw/zinc/20/56/56/823205656.db2.gz NZGOPTHRDNHNSS-UHFFFAOYSA-N 0 0 398.463 4.046 20 5 GIBDRN Cc1cc(Cc2noc([C@H](C)Cn3ncc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000571601573 823206123 /nfs/dbraw/zinc/20/61/23/823206123.db2.gz UQUWSDDNKIYEPT-CQSZACIVSA-N 0 0 377.404 4.030 20 5 GIBDRN Cc1cc(Cc2noc([C@@H](C)Cn3ncc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000571601572 823206263 /nfs/dbraw/zinc/20/62/63/823206263.db2.gz UQUWSDDNKIYEPT-AWEZNQCLSA-N 0 0 377.404 4.030 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000459524252 823211087 /nfs/dbraw/zinc/21/10/87/823211087.db2.gz JKCWLKPYBNZARQ-QGZVFWFLSA-N 0 0 389.477 4.299 20 5 GIBDRN COc1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)sc1Br ZINC000121590073 823211928 /nfs/dbraw/zinc/21/19/28/823211928.db2.gz WJXZRJRYJBCQMK-UHFFFAOYSA-N 0 0 385.239 4.297 20 5 GIBDRN Cc1c(C(=O)Nc2cccnc2-c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121611839 823215607 /nfs/dbraw/zinc/21/56/07/823215607.db2.gz JSNAIUBGWXEWDO-UHFFFAOYSA-N 0 0 392.371 4.434 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000056806209 823217264 /nfs/dbraw/zinc/21/72/64/823217264.db2.gz FUIUVLLCFOARKX-BDJLRTHQSA-N 0 0 375.812 4.132 20 5 GIBDRN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121621562 823217698 /nfs/dbraw/zinc/21/76/98/823217698.db2.gz YBVWYKHQPUQJPJ-GOSISDBHSA-N 0 0 385.782 4.302 20 5 GIBDRN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121621727 823217728 /nfs/dbraw/zinc/21/77/28/823217728.db2.gz YBVWYKHQPUQJPJ-SFHVURJKSA-N 0 0 385.782 4.302 20 5 GIBDRN O=C(Nc1cccc(-n2ccnc2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000571693078 823219787 /nfs/dbraw/zinc/21/97/87/823219787.db2.gz UXHPBGFXYVCTEJ-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1 ZINC000121657702 823224178 /nfs/dbraw/zinc/22/41/78/823224178.db2.gz YMVGTFAGZJERLC-CQSZACIVSA-N 0 0 391.431 4.427 20 5 GIBDRN COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c(OCC2CC2)c1 ZINC000571721183 823224726 /nfs/dbraw/zinc/22/47/26/823224726.db2.gz PYORMGWUSNNAAT-UHFFFAOYSA-N 0 0 395.415 4.341 20 5 GIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c1[N+](=O)[O-] ZINC000188364815 823226584 /nfs/dbraw/zinc/22/65/84/823226584.db2.gz BOBCGNANGSQHCI-CYBMUJFWSA-N 0 0 384.358 4.026 20 5 GIBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000409466786 823226795 /nfs/dbraw/zinc/22/67/95/823226795.db2.gz UQDPULRITMXSII-CQSZACIVSA-N 0 0 390.399 4.326 20 5 GIBDRN COCCOc1ccc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)cc1OC ZINC000121687538 823230410 /nfs/dbraw/zinc/23/04/10/823230410.db2.gz LSTFQTHTOVADTK-LLVKDONJSA-N 0 0 382.363 4.080 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CC1CCC1)CC(F)(F)F ZINC000176538213 823232313 /nfs/dbraw/zinc/23/23/13/823232313.db2.gz ZKROACCNFRQBRP-UHFFFAOYSA-N 0 0 395.175 4.162 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CC(COc4ccccc4)C3)cs2)c1 ZINC000459634840 823234529 /nfs/dbraw/zinc/23/45/29/823234529.db2.gz SQVRDHKXMCSIMY-UHFFFAOYSA-N 0 0 381.457 4.229 20 5 GIBDRN CCC(CC)c1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000121726937 823237952 /nfs/dbraw/zinc/23/79/52/823237952.db2.gz OJZQDLHAFFYJLZ-UHFFFAOYSA-N 0 0 393.425 4.127 20 5 GIBDRN CCC(=O)c1ccc(N[C@H](Cn2ccccc2=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409517878 823239151 /nfs/dbraw/zinc/23/91/51/823239151.db2.gz BMLLTBJFMJCODL-LJQANCHMSA-N 0 0 391.427 4.203 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000409522628 823240336 /nfs/dbraw/zinc/24/03/36/823240336.db2.gz QGDNINZYQGPTPT-KUHUBIRLSA-N 0 0 384.480 4.013 20 5 GIBDRN Cc1c(C(=O)Nc2nc(C(C)(C)C)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121743865 823241325 /nfs/dbraw/zinc/24/13/25/823241325.db2.gz FTHLDIDBJVZBPF-UHFFFAOYSA-N 0 0 378.410 4.126 20 5 GIBDRN O=C(Nc1cccc(OCC(F)(F)F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000057034160 823241635 /nfs/dbraw/zinc/24/16/35/823241635.db2.gz LXSAYCDAAZRMIZ-UHFFFAOYSA-N 0 0 379.294 4.270 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1COc2cc(F)c(Br)cc21 ZINC000409527524 823242023 /nfs/dbraw/zinc/24/20/23/823242023.db2.gz DFAAVMWHOGKGDB-JTQLQIEISA-N 0 0 388.580 4.090 20 5 GIBDRN Cc1ccc(-c2noc(Cc3cccc(OCC(F)(F)F)c3)n2)cc1[N+](=O)[O-] ZINC000571846608 823244970 /nfs/dbraw/zinc/24/49/70/823244970.db2.gz DYTVCYSJDNXYJD-UHFFFAOYSA-N 0 0 393.321 4.485 20 5 GIBDRN CC(C)(C)c1nnc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[nH]1 ZINC000459673559 823247732 /nfs/dbraw/zinc/24/77/32/823247732.db2.gz BBEURFBFSDTDCN-UHFFFAOYSA-N 0 0 399.426 4.232 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)c4cc([N+](=O)[O-])ccc4C)CC3)oc21 ZINC000188473696 823246210 /nfs/dbraw/zinc/24/62/10/823246210.db2.gz QVQDJTKMBITLDS-UHFFFAOYSA-N 0 0 379.416 4.373 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1OC ZINC000176625315 823251861 /nfs/dbraw/zinc/25/18/61/823251861.db2.gz UQWTZADCGCTVTB-UHFFFAOYSA-N 0 0 397.387 4.273 20 5 GIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] ZINC000571923773 823254794 /nfs/dbraw/zinc/25/47/94/823254794.db2.gz NYHBYFOBUPFZPE-UHFFFAOYSA-N 0 0 392.721 4.075 20 5 GIBDRN CN(C)C(=O)C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000057151699 823255397 /nfs/dbraw/zinc/25/53/97/823255397.db2.gz RFLFESSAQOHMSS-OAHLLOKOSA-N 0 0 381.354 4.245 20 5 GIBDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000176650782 823257356 /nfs/dbraw/zinc/25/73/56/823257356.db2.gz QSBVQBYUYJJGGR-VQIMIIECSA-N 0 0 379.460 4.213 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000121819317 823257464 /nfs/dbraw/zinc/25/74/64/823257464.db2.gz AWHKXTLSHWVKGT-IRXDYDNUSA-N 0 0 390.443 4.107 20 5 GIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1cccc(Cl)c1F ZINC000571948003 823258742 /nfs/dbraw/zinc/25/87/42/823258742.db2.gz VILZWJHDRGNVAO-UHFFFAOYSA-N 0 0 378.831 4.366 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001981558 817378676 /nfs/dbraw/zinc/37/86/76/817378676.db2.gz NBRQQFVWEINIPN-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001981560 817378850 /nfs/dbraw/zinc/37/88/50/817378850.db2.gz JAGFDJQITMMYBG-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Cl ZINC000001982830 817379642 /nfs/dbraw/zinc/37/96/42/817379642.db2.gz VRJWTMBMZHKZDV-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@H]1CSc2ccccc2N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000176658998 823259770 /nfs/dbraw/zinc/25/97/70/823259770.db2.gz BXPAKAKHBZYWOG-HNNXBMFYSA-N 0 0 397.500 4.339 20 5 GIBDRN COc1cc(C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000057180435 823260131 /nfs/dbraw/zinc/26/01/31/823260131.db2.gz QNBHSULPJPOJOC-UHFFFAOYSA-N 0 0 399.428 4.200 20 5 GIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000176660210 823260205 /nfs/dbraw/zinc/26/02/05/823260205.db2.gz XGTDRXUIGKADJI-CQSZACIVSA-N 0 0 382.395 4.027 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000003394219 817447216 /nfs/dbraw/zinc/44/72/16/817447216.db2.gz STPSPQTVAPHJDD-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN O=C(COC(=O)c1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003389562 817447272 /nfs/dbraw/zinc/44/72/72/817447272.db2.gz OCQQPBZJRCGHIO-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000176676313 823265087 /nfs/dbraw/zinc/26/50/87/823265087.db2.gz XXRIWEQYCUFYGR-LBPRGKRZSA-N 0 0 393.403 4.405 20 5 GIBDRN Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000003485231 817466616 /nfs/dbraw/zinc/46/66/16/817466616.db2.gz HOZSRXUDBQRACA-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003513617 817474928 /nfs/dbraw/zinc/47/49/28/817474928.db2.gz DYLXGZJVQSVNOB-UHFFFAOYSA-N 0 0 399.786 4.200 20 5 GIBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1Cl ZINC000003523712 817478561 /nfs/dbraw/zinc/47/85/61/817478561.db2.gz NATIYSBRJVMMCM-UHFFFAOYSA-N 0 0 384.171 4.125 20 5 GIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004274140 817515455 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/nfs/dbraw/zinc/30/54/81/818305481.db2.gz VOZJEBVTAIZXNA-NVNXTCNLSA-N 0 0 387.848 4.226 20 5 GIBDRN CCC(=O)c1ccc(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000015304670 818310774 /nfs/dbraw/zinc/31/07/74/818310774.db2.gz MOOKKANBETXACM-UHFFFAOYSA-N 0 0 382.416 4.010 20 5 GIBDRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccco1 ZINC000015410360 818322273 /nfs/dbraw/zinc/32/22/73/818322273.db2.gz UHLZMAAUAYUSOM-UHFFFAOYSA-N 0 0 379.372 4.309 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1cccc(Br)c1 ZINC000015411209 818322704 /nfs/dbraw/zinc/32/27/04/818322704.db2.gz BUUZLXKSYACBPN-UHFFFAOYSA-N 0 0 379.210 4.073 20 5 GIBDRN Cc1nc(C)c(-c2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)o2)s1 ZINC000176937548 823329032 /nfs/dbraw/zinc/32/90/32/823329032.db2.gz XYYBFXKMQYQFPU-UHFFFAOYSA-N 0 0 389.418 4.152 20 5 GIBDRN CC(C)CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000015539406 818334998 /nfs/dbraw/zinc/33/49/98/818334998.db2.gz IABGDBRPARAUPE-UHFFFAOYSA-N 0 0 376.796 4.452 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176939476 823329469 /nfs/dbraw/zinc/32/94/69/823329469.db2.gz XHMKXBIILZCLKZ-CJNGLKHVSA-N 0 0 375.450 4.085 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C)cc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000015600551 818345440 /nfs/dbraw/zinc/34/54/40/818345440.db2.gz VCNHLYWRBOSWNH-UHFFFAOYSA-N 0 0 382.395 4.156 20 5 GIBDRN Cc1nc(-c2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cs1 ZINC000015615700 818348620 /nfs/dbraw/zinc/34/86/20/818348620.db2.gz VURHWWVLIMXKTC-RUDMXATFSA-N 0 0 385.470 4.418 20 5 GIBDRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000015661236 818357041 /nfs/dbraw/zinc/35/70/41/818357041.db2.gz WSSJLWADDKOQMF-MRXNPFEDSA-N 0 0 389.411 4.048 20 5 GIBDRN Cc1ccc([C@H](C)OC(=O)Cc2csc(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000176942722 823330645 /nfs/dbraw/zinc/33/06/45/823330645.db2.gz AAMNGESNSHYQGO-ZDUSSCGKSA-N 0 0 383.429 4.269 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000015698962 818359803 /nfs/dbraw/zinc/35/98/03/818359803.db2.gz ZACIUGJQMGFXEJ-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc(-c3ccncc3)cc1F)CCO2 ZINC000572388219 823331498 /nfs/dbraw/zinc/33/14/98/823331498.db2.gz RLWZBDUUBNFPMJ-UHFFFAOYSA-N 0 0 379.391 4.191 20 5 GIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000015963779 818380109 /nfs/dbraw/zinc/38/01/09/818380109.db2.gz SQSMOEODFMGUIY-ZDUSSCGKSA-N 0 0 390.823 4.003 20 5 GIBDRN CCCOc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015998291 818382666 /nfs/dbraw/zinc/38/26/66/818382666.db2.gz HYPKQWRYURVPQE-UHFFFAOYSA-N 0 0 383.448 4.239 20 5 GIBDRN CCc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OC)c1 ZINC000122294899 823333631 /nfs/dbraw/zinc/33/36/31/823333631.db2.gz HKEYFOAJPLNUKF-UHFFFAOYSA-N 0 0 387.435 4.331 20 5 GIBDRN CSc1nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 ZINC000016153986 818398211 /nfs/dbraw/zinc/39/82/11/818398211.db2.gz YOSDSECBABFTKC-UHFFFAOYSA-N 0 0 395.487 4.036 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cs1 ZINC000016199949 818406179 /nfs/dbraw/zinc/40/61/79/818406179.db2.gz MABAINRKSRDSQO-UHFFFAOYSA-N 0 0 383.429 4.499 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000016324879 818423757 /nfs/dbraw/zinc/42/37/57/818423757.db2.gz PVGUHNBAEBMTKK-UHFFFAOYSA-N 0 0 398.396 4.070 20 5 GIBDRN CCCCc1ccc(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 ZINC000057814483 823335857 /nfs/dbraw/zinc/33/58/57/823335857.db2.gz HUAFJARCNXAGMB-UHFFFAOYSA-N 0 0 391.427 4.044 20 5 GIBDRN CCC1CCC(N(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C2CC2)CC1 ZINC000057821316 823337670 /nfs/dbraw/zinc/33/76/70/823337670.db2.gz RQZKCBKDXJIWEB-UHFFFAOYSA-N 0 0 396.491 4.209 20 5 GIBDRN Cc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 ZINC000057820056 823337732 /nfs/dbraw/zinc/33/77/32/823337732.db2.gz KFKYACXUQVQLFQ-UHFFFAOYSA-N 0 0 394.387 4.070 20 5 GIBDRN COc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000016505674 818451038 /nfs/dbraw/zinc/45/10/38/818451038.db2.gz NOLIQBARUGMHPO-UHFFFAOYSA-N 0 0 383.326 4.063 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@@H]1CC1CCCCC1 ZINC000057823018 823338062 /nfs/dbraw/zinc/33/80/62/823338062.db2.gz LVWLFZGVKXLPGX-LJQANCHMSA-N 0 0 396.491 4.211 20 5 GIBDRN C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000016584326 818456218 /nfs/dbraw/zinc/45/62/18/818456218.db2.gz PALGNIXSAVDTNA-NSHDSACASA-N 0 0 386.458 4.233 20 5 GIBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1Cl ZINC000016590484 818457007 /nfs/dbraw/zinc/45/70/07/818457007.db2.gz JQWWPKISWDGTGG-NSHDSACASA-N 0 0 382.247 4.361 20 5 GIBDRN CCC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000016601602 818458992 /nfs/dbraw/zinc/45/89/92/818458992.db2.gz ZLHJGBNYURYCGX-INIZCTEOSA-N 0 0 392.459 4.295 20 5 GIBDRN O=C(OCc1cc(F)cc2c1OCOC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000016655301 818463214 /nfs/dbraw/zinc/46/32/14/818463214.db2.gz YABNMLFULOZTIO-UHFFFAOYSA-N 0 0 389.360 4.172 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCOC2(CCCCC2)C1 ZINC000122341999 823340921 /nfs/dbraw/zinc/34/09/21/823340921.db2.gz ZLOCVFFTBYYZMO-LBPRGKRZSA-N 0 0 399.394 4.200 20 5 GIBDRN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000017589829 818520480 /nfs/dbraw/zinc/52/04/80/818520480.db2.gz NHXSWBMHKGWCCY-MRXNPFEDSA-N 0 0 387.783 4.091 20 5 GIBDRN Cc1ccc(-c2nnc([C@@H](C)OC(=O)CSc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017654058 818522478 /nfs/dbraw/zinc/52/24/78/818522478.db2.gz VFYGWSFINJQGJR-CYBMUJFWSA-N 0 0 399.428 4.350 20 5 GIBDRN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Br)cc1 ZINC000176984939 823342661 /nfs/dbraw/zinc/34/26/61/823342661.db2.gz WFOLYTWTZWHUBC-UHFFFAOYSA-N 0 0 376.210 4.131 20 5 GIBDRN CCn1c(Cc2ccsc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460293335 823342780 /nfs/dbraw/zinc/34/27/80/823342780.db2.gz YXGXKVHBSTZWST-UHFFFAOYSA-N 0 0 383.477 4.028 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000460298859 823344675 /nfs/dbraw/zinc/34/46/75/823344675.db2.gz QANBJKSLSZOQTM-MAUKXSAKSA-N 0 0 377.448 4.256 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000018084035 818544521 /nfs/dbraw/zinc/54/45/21/818544521.db2.gz HAWCGBNDNDFVOS-UHFFFAOYSA-N 0 0 392.459 4.037 20 5 GIBDRN O=C(N[C@H]1CCSc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018134072 818548807 /nfs/dbraw/zinc/54/88/07/818548807.db2.gz LGXFLODQZGMBQJ-KRWDZBQOSA-N 0 0 397.500 4.165 20 5 GIBDRN COc1cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000018185787 818555238 /nfs/dbraw/zinc/55/52/38/818555238.db2.gz GOWQCXAHTXVNTK-UHFFFAOYSA-N 0 0 382.825 4.240 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000018203584 818556215 /nfs/dbraw/zinc/55/62/15/818556215.db2.gz NHLFEGTXRPTVRM-CQSZACIVSA-N 0 0 379.416 4.432 20 5 GIBDRN CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000018239585 818561376 /nfs/dbraw/zinc/56/13/76/818561376.db2.gz XREHYIZRUYXUJJ-IZZDOVSWSA-N 0 0 386.429 4.145 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1ccccc1OC)C1CC1 ZINC000460304583 823346657 /nfs/dbraw/zinc/34/66/57/823346657.db2.gz JUTVEOCZKWRXFW-UHFFFAOYSA-N 0 0 393.447 4.051 20 5 GIBDRN O=C(OCc1cc(-c2ccco2)on1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000018538027 818571898 /nfs/dbraw/zinc/57/18/98/818571898.db2.gz WROZZABGUBLZSR-UHFFFAOYSA-N 0 0 397.387 4.190 20 5 GIBDRN C[C@H](OC(=O)c1cc2cc(Cl)ccc2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018750842 818576416 /nfs/dbraw/zinc/57/64/16/818576416.db2.gz FEQFWJMCRRUFRO-JTQLQIEISA-N 0 0 388.763 4.178 20 5 GIBDRN Cc1ccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc1[N+](=O)[O-] ZINC000409934421 823347054 /nfs/dbraw/zinc/34/70/54/823347054.db2.gz ZRLMPYUQPWGCBC-UHFFFAOYSA-N 0 0 379.203 4.039 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC000460305822 823347107 /nfs/dbraw/zinc/34/71/07/823347107.db2.gz MPUQSOKGZFOTEU-IBGZPJMESA-N 0 0 393.447 4.223 20 5 GIBDRN CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000018827906 818578829 /nfs/dbraw/zinc/57/88/29/818578829.db2.gz QVDGVYMQUGJILE-GFCCVEGCSA-N 0 0 376.434 4.121 20 5 GIBDRN CCOc1ccc(NC(=O)CN(CC)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000018936151 818580958 /nfs/dbraw/zinc/58/09/58/818580958.db2.gz HRRWGYAMODZWOL-UHFFFAOYSA-N 0 0 397.884 4.169 20 5 GIBDRN CC[C@@H](C)c1ccc([C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122402608 823349647 /nfs/dbraw/zinc/34/96/47/823349647.db2.gz HLIODLGBOQTJJV-PXAZEXFGSA-N 0 0 384.461 4.412 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1cccc(Br)c1 ZINC000019160861 818585805 /nfs/dbraw/zinc/58/58/05/818585805.db2.gz YIOWNCAVGSNOJU-UHFFFAOYSA-N 0 0 393.237 4.463 20 5 GIBDRN CO[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460319538 823351969 /nfs/dbraw/zinc/35/19/69/823351969.db2.gz VHSMRKJUQYKSEU-MRXNPFEDSA-N 0 0 380.853 4.088 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000572515428 823352224 /nfs/dbraw/zinc/35/22/24/823352224.db2.gz CIDYJFUHMXSONF-DNVCBOLYSA-N 0 0 390.867 4.057 20 5 GIBDRN Cc1cc(C)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000020897169 818638155 /nfs/dbraw/zinc/63/81/55/818638155.db2.gz WQOIBECORNQEFY-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN COc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000021117251 818654717 /nfs/dbraw/zinc/65/47/17/818654717.db2.gz NXELYWFTBYYSSU-UHFFFAOYSA-N 0 0 397.250 4.097 20 5 GIBDRN CNc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC000021142115 818658956 /nfs/dbraw/zinc/65/89/56/818658956.db2.gz TVHWILDYRBLQEY-UHFFFAOYSA-N 0 0 396.428 4.203 20 5 GIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000122441015 823354630 /nfs/dbraw/zinc/35/46/30/823354630.db2.gz AGDPYUZIBKTZJO-YWZLYKJASA-N 0 0 395.459 4.067 20 5 GIBDRN COc1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000021178436 818662232 /nfs/dbraw/zinc/66/22/32/818662232.db2.gz OAUGATNPFGRWPV-UHFFFAOYSA-N 0 0 394.427 4.332 20 5 GIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000021354241 818679576 /nfs/dbraw/zinc/67/95/76/818679576.db2.gz JDVXXNLQZOTZGJ-NSHDSACASA-N 0 0 376.434 4.138 20 5 GIBDRN Cc1cnc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000460317627 823351429 /nfs/dbraw/zinc/35/14/29/823351429.db2.gz OTYWMUSKTATEQF-ZUZCIYMTSA-N 0 0 395.868 4.048 20 5 GIBDRN CO[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000460331388 823356111 /nfs/dbraw/zinc/35/61/11/823356111.db2.gz WZHAQBWNWOJHEQ-YVEFUNNKSA-N 0 0 394.880 4.233 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)cc1SC ZINC000409964255 823356054 /nfs/dbraw/zinc/35/60/54/823356054.db2.gz OSRQHIBNTRPOJA-UHFFFAOYSA-N 0 0 398.843 4.390 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)nc2c1 ZINC000177041665 823357460 /nfs/dbraw/zinc/35/74/60/823357460.db2.gz ITUJQCYGGZBKAY-QGZVFWFLSA-N 0 0 391.786 4.102 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000021614026 818714083 /nfs/dbraw/zinc/71/40/83/818714083.db2.gz HARWZZMKBIVDSF-UHFFFAOYSA-N 0 0 392.411 4.500 20 5 GIBDRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572544081 823357883 /nfs/dbraw/zinc/35/78/83/823357883.db2.gz RAFBHJXBNDWNKQ-DNVCBOLYSA-N 0 0 392.459 4.048 20 5 GIBDRN CCCCNC(=O)[C@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767949 818736248 /nfs/dbraw/zinc/73/62/48/818736248.db2.gz JKQSHAQSBYDQCR-AWEZNQCLSA-N 0 0 378.501 4.433 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000021846573 818746266 /nfs/dbraw/zinc/74/62/66/818746266.db2.gz CEKYJGYTSIOJRG-LBPRGKRZSA-N 0 0 388.445 4.028 20 5 GIBDRN Cc1cc(F)cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c1[N+](=O)[O-] ZINC000177064260 823362532 /nfs/dbraw/zinc/36/25/32/823362532.db2.gz FSVHBGLOZDWIKG-UHFFFAOYSA-N 0 0 381.363 4.160 20 5 GIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000022160930 818778080 /nfs/dbraw/zinc/77/80/80/818778080.db2.gz BVSTUFOTAUOJQB-ZDUSSCGKSA-N 0 0 388.445 4.118 20 5 GIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000022161555 818778143 /nfs/dbraw/zinc/77/81/43/818778143.db2.gz RTALWVVXUZINNH-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177068809 823363904 /nfs/dbraw/zinc/36/39/04/823363904.db2.gz FYOSHRPWXPEDRV-UHFFFAOYSA-N 0 0 380.857 4.247 20 5 GIBDRN Cc1cc(Cl)ccc1OCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460362424 823364101 /nfs/dbraw/zinc/36/41/01/823364101.db2.gz YDTFVAPOHLMRIH-SFHVURJKSA-N 0 0 392.864 4.210 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000022414657 818803432 /nfs/dbraw/zinc/80/34/32/818803432.db2.gz HBNIVQVVBPMSPO-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022446409 818807884 /nfs/dbraw/zinc/80/78/84/818807884.db2.gz FSNNUBOQOHZGPU-ZDUSSCGKSA-N 0 0 396.355 4.164 20 5 GIBDRN O=C(Nc1ccccn1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000022465264 818810435 /nfs/dbraw/zinc/81/04/35/818810435.db2.gz XVKIRZHGRWFWOG-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000022467176 818811097 /nfs/dbraw/zinc/81/10/97/818811097.db2.gz IQZNGGCPKWYNGO-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022468490 818811111 /nfs/dbraw/zinc/81/11/11/818811111.db2.gz SSVTVPIYCQCNCP-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000022545545 818823082 /nfs/dbraw/zinc/82/30/82/818823082.db2.gz VAQOSIPWDLEUBH-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000022547210 818823427 /nfs/dbraw/zinc/82/34/27/818823427.db2.gz GGUXRTOFVSKTID-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000022550851 818824219 /nfs/dbraw/zinc/82/42/19/818824219.db2.gz QWRZDAQJFDBZGZ-GOFCXVBSSA-N 0 0 396.443 4.303 20 5 GIBDRN CC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)Cc2ccccc2C1 ZINC000572564020 823361682 /nfs/dbraw/zinc/36/16/82/823361682.db2.gz VRKBKAFPCPYLJB-UHFFFAOYSA-N 0 0 378.350 4.149 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000022736471 818853835 /nfs/dbraw/zinc/85/38/35/818853835.db2.gz YMFOIDXFRXLLLN-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN COc1cc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cc([N+](=O)[O-])c1C ZINC000189193513 823373664 /nfs/dbraw/zinc/37/36/64/823373664.db2.gz UVVBIQHGRFJQEQ-IAGOWNOFSA-N 0 0 388.464 4.056 20 5 GIBDRN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000023013912 818887726 /nfs/dbraw/zinc/88/77/26/818887726.db2.gz RHDONUNCLOQAHB-IBGZPJMESA-N 0 0 379.460 4.345 20 5 GIBDRN CCCCCc1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000023123463 818901020 /nfs/dbraw/zinc/90/10/20/818901020.db2.gz YHAWNEQNKNAGRG-LLVKDONJSA-N 0 0 380.495 4.298 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCSc2ccccc21 ZINC000023228274 818913969 /nfs/dbraw/zinc/91/39/69/818913969.db2.gz XOCAWUAUSLTKMM-UHFFFAOYSA-N 0 0 383.473 4.338 20 5 GIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc2ccccc21 ZINC000023344509 818924802 /nfs/dbraw/zinc/92/48/02/818924802.db2.gz QSYDYRGEJFJZOY-OLZOCXBDSA-N 0 0 398.440 4.232 20 5 GIBDRN Cc1c(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cccc1[N+](=O)[O-] ZINC000410030470 823374526 /nfs/dbraw/zinc/37/45/26/823374526.db2.gz QDXWRAKJMXIFHU-UHFFFAOYSA-N 0 0 379.203 4.039 20 5 GIBDRN O=C(Nc1cccc(C2SCCS2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122574677 823375519 /nfs/dbraw/zinc/37/55/19/823375519.db2.gz MTPPVJCTHPLFOU-UHFFFAOYSA-N 0 0 386.458 4.202 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000023531738 818955970 /nfs/dbraw/zinc/95/59/70/818955970.db2.gz OEIUHIKPSGYXDC-UHFFFAOYSA-N 0 0 397.309 4.102 20 5 GIBDRN CCOc1cc2c(cc1/C=C/C(=O)OCc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000023673604 818971680 /nfs/dbraw/zinc/97/16/80/818971680.db2.gz FYLUMBMCSHQMJT-VFNNOXKTSA-N 0 0 383.400 4.074 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc([N+](=O)[O-])c1C ZINC000189225628 823378691 /nfs/dbraw/zinc/37/86/91/823378691.db2.gz BLSQYSZYHOGYBD-UHFFFAOYSA-N 0 0 394.387 4.092 20 5 GIBDRN COc1cc(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c([N+](=O)[O-])cc1OC ZINC000189224937 823378698 /nfs/dbraw/zinc/37/86/98/823378698.db2.gz MXTCSJOZNGKIMJ-KRWDZBQOSA-N 0 0 384.432 4.153 20 5 GIBDRN COc1cc(C(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000410039787 823377151 /nfs/dbraw/zinc/37/71/51/823377151.db2.gz UWXFYJQZOURGIT-UHFFFAOYSA-N 0 0 386.448 4.303 20 5 GIBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000023754133 818980086 /nfs/dbraw/zinc/98/00/86/818980086.db2.gz XSYMHMJONVKQAO-CQSZACIVSA-N 0 0 379.372 4.188 20 5 GIBDRN COc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000023787969 818984617 /nfs/dbraw/zinc/98/46/17/818984617.db2.gz VGVJSUNCJJHPBT-UHFFFAOYSA-N 0 0 393.827 4.096 20 5 GIBDRN COc1ccc(CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000023961555 818998222 /nfs/dbraw/zinc/99/82/22/818998222.db2.gz PHBNTHVJIZHTSE-UHFFFAOYSA-N 0 0 395.459 4.008 20 5 GIBDRN CC(C)COc1ccc(C(C)(C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000410047729 823379308 /nfs/dbraw/zinc/37/93/08/823379308.db2.gz IFCJHJPQZYPBAT-UHFFFAOYSA-N 0 0 386.448 4.060 20 5 GIBDRN CN(Cc1cc(Br)cs1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058328469 823379264 /nfs/dbraw/zinc/37/92/64/823379264.db2.gz XCRNIZCDWWAOJI-UHFFFAOYSA-N 0 0 394.250 4.172 20 5 GIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000024040427 819012773 /nfs/dbraw/zinc/01/27/73/819012773.db2.gz STFJKCXBZWTAEP-UHFFFAOYSA-N 0 0 380.809 4.009 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000024155084 819027927 /nfs/dbraw/zinc/02/79/27/819027927.db2.gz UIAXHVFAQBZKQI-OAHLLOKOSA-N 0 0 392.411 4.169 20 5 GIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000058348000 823380972 /nfs/dbraw/zinc/38/09/72/823380972.db2.gz UZXWUIAYVUMMTH-CYBMUJFWSA-N 0 0 397.431 4.365 20 5 GIBDRN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Cl)c1 ZINC000460418600 823382911 /nfs/dbraw/zinc/38/29/11/823382911.db2.gz GZHMJTFUXRGAHO-LLVKDONJSA-N 0 0 383.231 4.028 20 5 GIBDRN COc1cccc2sc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc21 ZINC000024552770 819070351 /nfs/dbraw/zinc/07/03/51/819070351.db2.gz VHDDGNKLRZXSIU-UHFFFAOYSA-N 0 0 375.431 4.187 20 5 GIBDRN Cc1ccccc1O[C@@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460423201 823384460 /nfs/dbraw/zinc/38/44/60/823384460.db2.gz WRYDNCBMRHMNDD-AWEZNQCLSA-N 0 0 397.456 4.224 20 5 GIBDRN Cc1nc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000189294105 823388824 /nfs/dbraw/zinc/38/88/24/823388824.db2.gz CYLZMQKEANFHLM-UHFFFAOYSA-N 0 0 383.301 4.126 20 5 GIBDRN O=C(CSc1nc2cc(Cl)ccc2o1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000058391684 823385401 /nfs/dbraw/zinc/38/54/01/823385401.db2.gz FHLDUCKLWWLWOO-UHFFFAOYSA-N 0 0 389.820 4.071 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000122638965 823385805 /nfs/dbraw/zinc/38/58/05/823385805.db2.gz ZHFQZIRDJCACGY-KUHUBIRLSA-N 0 0 388.851 4.075 20 5 GIBDRN CCC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000177178924 823392124 /nfs/dbraw/zinc/39/21/24/823392124.db2.gz ONUKAOKNGYPWMS-GOSISDBHSA-N 0 0 378.375 4.371 20 5 GIBDRN COc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(OC)cc1Cl ZINC000460454479 823394932 /nfs/dbraw/zinc/39/49/32/823394932.db2.gz AJQJOBFSCHUEAH-UHFFFAOYSA-N 0 0 385.203 4.480 20 5 GIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](C)c1ccccc1 ZINC000177194164 823395847 /nfs/dbraw/zinc/39/58/47/823395847.db2.gz JSVYSRBVLHDPEZ-QZTJIDSGSA-N 0 0 384.479 4.463 20 5 GIBDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000572788603 823398854 /nfs/dbraw/zinc/39/88/54/823398854.db2.gz CTXCYOIIRAZMFP-AEFFLSMTSA-N 0 0 398.459 4.372 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccnn1Cc1ccccc1F ZINC000460462212 823397797 /nfs/dbraw/zinc/39/77/97/823397797.db2.gz NYWFVBLDZBRWDL-UHFFFAOYSA-N 0 0 388.786 4.193 20 5 GIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000572781788 823397931 /nfs/dbraw/zinc/39/79/31/823397931.db2.gz JVMDLXDNRKPESB-KPZWWZAWSA-N 0 0 392.814 4.091 20 5 GIBDRN CC(C)NC(=O)c1ccc(NCCCO[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000058489066 823399001 /nfs/dbraw/zinc/39/90/01/823399001.db2.gz WNNKQDSQVRIJQH-INIZCTEOSA-N 0 0 385.464 4.313 20 5 GIBDRN COc1cc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000460467927 823399489 /nfs/dbraw/zinc/39/94/89/823399489.db2.gz ILJYORHSMBNBFZ-UHFFFAOYSA-N 0 0 385.807 4.043 20 5 GIBDRN COc1ccc(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000572800071 823401162 /nfs/dbraw/zinc/40/11/62/823401162.db2.gz ILMXRHMTMPSSBQ-SNVBAGLBSA-N 0 0 384.310 4.185 20 5 GIBDRN COc1ccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000058513414 823402297 /nfs/dbraw/zinc/40/22/97/823402297.db2.gz ZGJAOXKJJYWPMU-UHFFFAOYSA-N 0 0 381.388 4.138 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460498098 823408558 /nfs/dbraw/zinc/40/85/58/823408558.db2.gz VTZSRJIZFBJDGA-LLVKDONJSA-N 0 0 383.231 4.028 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460488129 823405692 /nfs/dbraw/zinc/40/56/92/823405692.db2.gz HKKDBFWERKJGIU-UHFFFAOYSA-N 0 0 392.377 4.394 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nc(-c2ccc(F)cc2)no1 ZINC000122758403 823407082 /nfs/dbraw/zinc/40/70/82/823407082.db2.gz XLLGHZHKOUQNDK-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN O=[N+]([O-])c1ccccc1CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000177238531 823407371 /nfs/dbraw/zinc/40/73/71/823407371.db2.gz LOTCNEABTOWYST-UHFFFAOYSA-N 0 0 388.489 4.454 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1SCc1cscn1 ZINC000460494398 823407734 /nfs/dbraw/zinc/40/77/34/823407734.db2.gz UNWMAWFASNURIJ-UHFFFAOYSA-N 0 0 399.497 4.316 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189397371 823407900 /nfs/dbraw/zinc/40/79/00/823407900.db2.gz ROVZXNQOWXDHKU-UHFFFAOYSA-N 0 0 396.340 4.143 20 5 GIBDRN CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000460499228 823408889 /nfs/dbraw/zinc/40/88/89/823408889.db2.gz ZNWNGTIYKWSNNQ-UHFFFAOYSA-N 0 0 380.366 4.250 20 5 GIBDRN CCO[C@H](C)c1nc(COc2c(Br)cccc2[N+](=O)[O-])cs1 ZINC000122796489 823413758 /nfs/dbraw/zinc/41/37/58/823413758.db2.gz KVIXXNWEJNTJSZ-SECBINFHSA-N 0 0 387.255 4.490 20 5 GIBDRN C[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000460504401 823410774 /nfs/dbraw/zinc/41/07/74/823410774.db2.gz QCKUHPYUDOSFJE-ZDUSSCGKSA-N 0 0 380.366 4.466 20 5 GIBDRN CCO[C@@H](C)c1nc(COc2c(Br)cccc2[N+](=O)[O-])cs1 ZINC000122796276 823413797 /nfs/dbraw/zinc/41/37/97/823413797.db2.gz KVIXXNWEJNTJSZ-VIFPVBQESA-N 0 0 387.255 4.490 20 5 GIBDRN 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ZINC000122968727 823441520 /nfs/dbraw/zinc/44/15/20/823441520.db2.gz JVEQTFNMTHYUEC-NSHDSACASA-N 0 0 386.433 4.438 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCOc1ccc(F)cc1 ZINC000025340836 819966761 /nfs/dbraw/zinc/96/67/61/819966761.db2.gz SWFYDPYQLOXMKF-AWEZNQCLSA-N 0 0 392.452 4.190 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccc(F)cc2)c(-c2cccs2)c1 ZINC000025371198 819971861 /nfs/dbraw/zinc/97/18/61/819971861.db2.gz PDQOJHSNOKGKRC-UHFFFAOYSA-N 0 0 393.417 4.371 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000025372927 819972227 /nfs/dbraw/zinc/97/22/27/819972227.db2.gz LNBPJBFMDPCVKR-INIZCTEOSA-N 0 0 398.843 4.222 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)cc([N+](=O)[O-])c1C ZINC000189552230 823442434 /nfs/dbraw/zinc/44/24/34/823442434.db2.gz YMCLDICHPNGEJF-UHFFFAOYSA-N 0 0 396.399 4.053 20 5 GIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H](C)CO2)c1 ZINC000460579848 823442628 /nfs/dbraw/zinc/44/26/28/823442628.db2.gz XIUSQMNNWIJCAC-IFXJQAMLSA-N 0 0 388.851 4.467 20 5 GIBDRN O=C(CN1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025442638 819980875 /nfs/dbraw/zinc/98/08/75/819980875.db2.gz SXKFWYRPTQXPOW-MRXNPFEDSA-N 0 0 377.803 4.163 20 5 GIBDRN O=C(CN1CCC[C@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025442743 819981524 /nfs/dbraw/zinc/98/15/24/819981524.db2.gz DGTTZFAFOXONAF-KRWDZBQOSA-N 0 0 377.803 4.163 20 5 GIBDRN O=C(OCc1csc(-c2ccco2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000025447344 819982186 /nfs/dbraw/zinc/98/21/86/819982186.db2.gz LLDYGFAVXIGPCK-UHFFFAOYSA-N 0 0 385.401 4.243 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025453514 819983367 /nfs/dbraw/zinc/98/33/67/819983367.db2.gz SCGZIMJPJAGRFX-UHFFFAOYSA-N 0 0 395.293 4.251 20 5 GIBDRN CCCn1nccc1C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000410272502 823443942 /nfs/dbraw/zinc/44/39/42/823443942.db2.gz LWJITRGXDZOANP-UHFFFAOYSA-N 0 0 384.480 4.146 20 5 GIBDRN CCO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000177356930 823444276 /nfs/dbraw/zinc/44/42/76/823444276.db2.gz OLNUOFLRDMENKB-MRXNPFEDSA-N 0 0 399.285 4.073 20 5 GIBDRN COc1cccc([C@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000025581374 820004428 /nfs/dbraw/zinc/00/44/28/820004428.db2.gz YXGGUFGEKMPDSH-HXUWFJFHSA-N 0 0 383.448 4.159 20 5 GIBDRN Cc1ccc(OCc2nc(CC(=O)OCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000025631628 820008678 /nfs/dbraw/zinc/00/86/78/820008678.db2.gz BLRJILXLBDWJLT-UHFFFAOYSA-N 0 0 398.440 4.225 20 5 GIBDRN Cn1cccc1[C@@H]1CCCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000025711875 820017104 /nfs/dbraw/zinc/01/71/04/820017104.db2.gz XEEDOYXBDSSIAL-FQEVSTJZSA-N 0 0 384.480 4.269 20 5 GIBDRN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000025876021 820033840 /nfs/dbraw/zinc/03/38/40/820033840.db2.gz DNGAFHVYXDHXTF-UHFFFAOYSA-N 0 0 382.463 4.345 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccco3)Cc3ccccc3)n2)c1 ZINC000025919807 820039757 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QGWPOWRAXKINAO-PVARCSIZSA-N 0 0 394.899 4.377 20 5 GIBDRN C[C@H](NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000026347500 820087034 /nfs/dbraw/zinc/08/70/34/820087034.db2.gz BODNVSUCTSUGKL-LBPRGKRZSA-N 0 0 396.274 4.211 20 5 GIBDRN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])cc1Cl ZINC000026421493 820095064 /nfs/dbraw/zinc/09/50/64/820095064.db2.gz PCGGGYOPEIXHGR-UHFFFAOYSA-N 0 0 376.727 4.399 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000123053956 823454074 /nfs/dbraw/zinc/45/40/74/823454074.db2.gz UJUVVXFCTSWLPY-UHFFFAOYSA-N 0 0 399.447 4.064 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000026670475 820130169 /nfs/dbraw/zinc/13/01/69/820130169.db2.gz UFODNICMEYRSKP-UHFFFAOYSA-N 0 0 397.353 4.002 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000026759087 820140527 /nfs/dbraw/zinc/14/05/27/820140527.db2.gz HCSBSDXDKOZLHB-CYBMUJFWSA-N 0 0 386.452 4.227 20 5 GIBDRN CCOc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000026767376 820141783 /nfs/dbraw/zinc/14/17/83/820141783.db2.gz HHWMZIUAKZAPMW-KRWDZBQOSA-N 0 0 384.432 4.152 20 5 GIBDRN CCOc1cc(C(=O)Oc2ccc3ccc(OC)cc3c2)c([N+](=O)[O-])cc1OC ZINC000026770001 820142334 /nfs/dbraw/zinc/14/23/34/820142334.db2.gz RDGNOPCYUKPXEW-UHFFFAOYSA-N 0 0 397.383 4.383 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000123069272 823456589 /nfs/dbraw/zinc/45/65/89/823456589.db2.gz VUVDJPJIQAJLGS-UHFFFAOYSA-N 0 0 376.416 4.187 20 5 GIBDRN COc1ccc(Cl)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000123069609 823456853 /nfs/dbraw/zinc/45/68/53/823456853.db2.gz VVYUTRUGJWXMCT-UHFFFAOYSA-N 0 0 375.812 4.453 20 5 GIBDRN Cc1c(C(=O)NCc2cccnc2Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000058819818 823458484 /nfs/dbraw/zinc/45/84/84/823458484.db2.gz JPZMMUFWNJKEDS-UHFFFAOYSA-N 0 0 381.363 4.160 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058821152 823459090 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ZINC000028043191 820307293 /nfs/dbraw/zinc/30/72/93/820307293.db2.gz PHSGOADDKKEKNA-MRXNPFEDSA-N 0 0 380.853 4.082 20 5 GIBDRN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573235270 823468804 /nfs/dbraw/zinc/46/88/04/823468804.db2.gz HWVIXNXCTXWOTG-HNNXBMFYSA-N 0 0 395.440 4.475 20 5 GIBDRN Cc1ccc(CCC2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000028065526 820308800 /nfs/dbraw/zinc/30/88/00/820308800.db2.gz QDYHRLLBSKMWHV-UHFFFAOYSA-N 0 0 392.459 4.265 20 5 GIBDRN O=C(/C=C/c1ccccc1Cl)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028301458 820323528 /nfs/dbraw/zinc/32/35/28/820323528.db2.gz LLNCQDKAXUEQRG-VMPITWQZSA-N 0 0 395.198 4.097 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000460662218 823470352 /nfs/dbraw/zinc/47/03/52/823470352.db2.gz FAWZZYOLPOSCHO-HDICACEKSA-N 0 0 382.416 4.124 20 5 GIBDRN Cc1cnc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000028605353 820344732 /nfs/dbraw/zinc/34/47/32/820344732.db2.gz 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GIBDRN C[C@H]1CCN(C(=O)COc2c(F)cccc2[N+](=O)[O-])c2ccccc2S1 ZINC000185015772 822725507 /nfs/dbraw/zinc/72/55/07/822725507.db2.gz IOPUNUNLIURKPG-LBPRGKRZSA-N 0 0 376.409 4.030 20 5 GIBDRN O=C(Nc1cnccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185091826 822735955 /nfs/dbraw/zinc/73/59/55/822735955.db2.gz CPSNQYXGIGOIOF-UHFFFAOYSA-N 0 0 386.820 4.442 20 5 GIBDRN COc1cccc(-c2noc([C@@H](C)N[C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000185129553 822740626 /nfs/dbraw/zinc/74/06/26/822740626.db2.gz RJYDZMNDNSQADK-UONOGXRCSA-N 0 0 382.420 4.374 20 5 GIBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000051120964 822746623 /nfs/dbraw/zinc/74/66/23/822746623.db2.gz WIOJVUPYCIXGMX-ZDUSSCGKSA-N 0 0 393.472 4.460 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000185228148 822751913 /nfs/dbraw/zinc/75/19/13/822751913.db2.gz ASFKQUCRNNKPBV-MRXNPFEDSA-N 0 0 395.459 4.459 20 5 GIBDRN Cc1cccc([C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccccn2)c1 ZINC000185250336 822754619 /nfs/dbraw/zinc/75/46/19/822754619.db2.gz NSVJEBVESADXEA-BTYIYWSLSA-N 0 0 393.418 4.447 20 5 GIBDRN Cc1nn(C)c(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] ZINC000051405458 822758815 /nfs/dbraw/zinc/75/88/15/822758815.db2.gz CRHGCJTTWLHGFE-UHFFFAOYSA-N 0 0 388.431 4.102 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582251 822766299 /nfs/dbraw/zinc/76/62/99/822766299.db2.gz OPOLKZXRGMOGDG-OXQOHEQNSA-N 0 0 399.447 4.235 20 5 GIBDRN C[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1F ZINC000185335811 822767801 /nfs/dbraw/zinc/76/78/01/822767801.db2.gz FITKCEIUBCIXQH-NSHDSACASA-N 0 0 389.814 4.331 20 5 GIBDRN Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C2CC2)n1 ZINC000456032296 822768853 /nfs/dbraw/zinc/76/88/53/822768853.db2.gz SXZSPPLBCMOWCB-UHFFFAOYSA-N 0 0 379.338 4.124 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000185350692 822769598 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376.416 4.494 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000456131608 822782268 /nfs/dbraw/zinc/78/22/68/822782268.db2.gz RETAYHAEBFMJNB-MNOVXSKESA-N 0 0 376.350 4.201 20 5 GIBDRN O=C(c1c(Cl)cncc1Cl)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456139369 822783211 /nfs/dbraw/zinc/78/32/11/822783211.db2.gz KXWVIXSPNQZGIZ-LBPRGKRZSA-N 0 0 380.231 4.316 20 5 GIBDRN Cn1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2cc(F)ccc21 ZINC000456142438 822783653 /nfs/dbraw/zinc/78/36/53/822783653.db2.gz NIGUWIKNOXJFLF-OAHLLOKOSA-N 0 0 381.407 4.245 20 5 GIBDRN CC[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@H](C)O ZINC000456218362 822788518 /nfs/dbraw/zinc/78/85/18/822788518.db2.gz FIDBTSCZNWJRBV-NHYWBVRUSA-N 0 0 394.880 4.289 20 5 GIBDRN Cc1cc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000052163099 822791891 /nfs/dbraw/zinc/79/18/91/822791891.db2.gz WSSRDJVLQTXLFZ-UHFFFAOYSA-N 0 0 380.370 4.398 20 5 GIBDRN 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ZINC000456840346 822837108 /nfs/dbraw/zinc/83/71/08/822837108.db2.gz KJODSTSHECENIW-LJQANCHMSA-N 0 0 384.407 4.369 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185961148 822837953 /nfs/dbraw/zinc/83/79/53/822837953.db2.gz IJVMTELGUJZYJA-INIZCTEOSA-N 0 0 381.215 4.115 20 5 GIBDRN C[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000053513854 822838122 /nfs/dbraw/zinc/83/81/22/822838122.db2.gz AGPPBFNHZVLCBD-LBPRGKRZSA-N 0 0 385.807 4.053 20 5 GIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@]2(CCSC2)C1 ZINC000456857575 822838550 /nfs/dbraw/zinc/83/85/50/822838550.db2.gz ZPLSWQJUEOKRQB-FQEVSTJZSA-N 0 0 383.473 4.016 20 5 GIBDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456862898 822839095 /nfs/dbraw/zinc/83/90/95/822839095.db2.gz YMHPKHFKBAETOS-GOSISDBHSA-N 0 0 378.350 4.227 20 5 GIBDRN CNC(=O)c1ccc(Oc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000053548815 822840626 /nfs/dbraw/zinc/84/06/26/822840626.db2.gz 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COc1cccc([C@H]2C[C@H](N(C)C(=O)CSc3ccccc3[N+](=O)[O-])C2)c1 ZINC000456951205 822843627 /nfs/dbraw/zinc/84/36/27/822843627.db2.gz WUKZXSVHZPZVKR-WKILWMFISA-N 0 0 386.473 4.100 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000186021023 822844369 /nfs/dbraw/zinc/84/43/69/822844369.db2.gz KBZUVVHPIFJOOI-CYBMUJFWSA-N 0 0 378.450 4.423 20 5 GIBDRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053750227 822847080 /nfs/dbraw/zinc/84/70/80/822847080.db2.gz ROJPKJLYZLJKJK-UHFFFAOYSA-N 0 0 384.779 4.081 20 5 GIBDRN CCOc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000186051367 822847323 /nfs/dbraw/zinc/84/73/23/822847323.db2.gz FWKSWQGVTJRCGA-OAHLLOKOSA-N 0 0 378.432 4.301 20 5 GIBDRN CCOc1ccc2c(c1)[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000186061128 822848366 /nfs/dbraw/zinc/84/83/66/822848366.db2.gz CXUSRNMGTNSYHI-SFHVURJKSA-N 0 0 399.447 4.052 20 5 GIBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000186086839 822850431 /nfs/dbraw/zinc/85/04/31/822850431.db2.gz LKMPJLHCCDUNML-UHFFFAOYSA-N 0 0 378.772 4.158 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000174888316 822851091 /nfs/dbraw/zinc/85/10/91/822851091.db2.gz BKVOLELBOWVZTK-WDEREUQCSA-N 0 0 383.326 4.271 20 5 GIBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000186101234 822851668 /nfs/dbraw/zinc/85/16/68/822851668.db2.gz ONYVTFOKVWXWCL-UHFFFAOYSA-N 0 0 396.762 4.297 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccnn2Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000186115056 822852967 /nfs/dbraw/zinc/85/29/67/822852967.db2.gz CFDJSKNVLRSQOV-UHFFFAOYSA-N 0 0 382.445 4.122 20 5 GIBDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000186153600 822856187 /nfs/dbraw/zinc/85/61/87/822856187.db2.gz HSOWEYOSGOGNGS-UHFFFAOYSA-N 0 0 384.358 4.205 20 5 GIBDRN COc1cc(C(=O)NCC(C)(C)C2=CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000457153855 822857777 /nfs/dbraw/zinc/85/77/77/822857777.db2.gz JMCVSXMRZWHVDR-UHFFFAOYSA-N 0 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822867140 /nfs/dbraw/zinc/86/71/40/822867140.db2.gz IUDSUXIROGJVFL-UHFFFAOYSA-N 0 0 399.419 4.220 20 5 GIBDRN O=[N+]([O-])c1cc2c(nc1N1CCC(c3c[nH]c4ncccc34)CC1)CCCC2 ZINC000568995126 822868291 /nfs/dbraw/zinc/86/82/91/822868291.db2.gz ZEWRKSPKIZSAJQ-UHFFFAOYSA-N 0 0 377.448 4.129 20 5 GIBDRN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569049077 822873596 /nfs/dbraw/zinc/87/35/96/822873596.db2.gz VXBDLLMKQOAFAB-OAHLLOKOSA-N 0 0 399.275 4.388 20 5 GIBDRN COc1ccc(Nc2nc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cs2)cc1 ZINC000175051692 822874067 /nfs/dbraw/zinc/87/40/67/822874067.db2.gz HVNQSSSMVNKMBR-UHFFFAOYSA-N 0 0 396.428 4.006 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OCc2cccnc2)c1 ZINC000186333540 822877675 /nfs/dbraw/zinc/87/76/75/822877675.db2.gz HINFCVFGGBJRLK-UHFFFAOYSA-N 0 0 397.818 4.152 20 5 GIBDRN Cc1c(NC(=O)NCc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000054355493 822878006 /nfs/dbraw/zinc/87/80/06/822878006.db2.gz ARFWDAYORQHEGY-UHFFFAOYSA-N 0 0 382.189 4.127 20 5 GIBDRN COC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000186340717 822878398 /nfs/dbraw/zinc/87/83/98/822878398.db2.gz XBLUKSRXXDAFMO-INIZCTEOSA-N 0 0 392.521 4.376 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn(-c2ccccc2)c1C1CC1 ZINC000186344762 822878946 /nfs/dbraw/zinc/87/89/46/822878946.db2.gz KESPXVOBPGXNFM-UHFFFAOYSA-N 0 0 396.834 4.241 20 5 GIBDRN CCc1cc(Oc2cccc(-c3nnco3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389850 822880870 /nfs/dbraw/zinc/88/08/70/822880870.db2.gz RYNUVBGEPJRNCC-UHFFFAOYSA-N 0 0 389.371 4.457 20 5 GIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)onc1C(F)(F)F ZINC000569138869 822883177 /nfs/dbraw/zinc/88/31/77/822883177.db2.gz ZZYYVQSZHLVYLG-UHFFFAOYSA-N 0 0 397.231 4.435 20 5 GIBDRN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000175112401 822884701 /nfs/dbraw/zinc/88/47/01/822884701.db2.gz BQGOLTHEULTHBP-SNVBAGLBSA-N 0 0 383.267 4.122 20 5 GIBDRN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000175128016 822887985 /nfs/dbraw/zinc/88/79/85/822887985.db2.gz FBQNSDPSJKMRQH-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN O=C(CSc1c(F)cc(F)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054475614 822888908 /nfs/dbraw/zinc/88/89/08/822888908.db2.gz NAUVSIFEWDDLGM-UHFFFAOYSA-N 0 0 376.743 4.396 20 5 GIBDRN CCOc1ccc(OC)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175192963 822901278 /nfs/dbraw/zinc/90/12/78/822901278.db2.gz UVPDRZZDOYWRHQ-UHFFFAOYSA-N 0 0 384.310 4.273 20 5 GIBDRN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000054665990 822902605 /nfs/dbraw/zinc/90/26/05/822902605.db2.gz FYYWSIKETIGFMW-IBGZPJMESA-N 0 0 378.432 4.157 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457663404 822903136 /nfs/dbraw/zinc/90/31/36/822903136.db2.gz HZSWTWWCGJKEGE-CYZMBNFOSA-N 0 0 388.470 4.361 20 5 GIBDRN C[C@@H](C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000569300040 822903963 /nfs/dbraw/zinc/90/39/63/822903963.db2.gz AYBHOAXLGWWOEM-CXAGYDPISA-N 0 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ZINC000175252264 822914777 /nfs/dbraw/zinc/91/47/77/822914777.db2.gz GAOIKIQCRYPASD-UHFFFAOYSA-N 0 0 392.459 4.012 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000569393329 822915835 /nfs/dbraw/zinc/91/58/35/822915835.db2.gz ARDNASWZMKSVOX-UHFFFAOYSA-N 0 0 384.367 4.287 20 5 GIBDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000175260723 822917758 /nfs/dbraw/zinc/91/77/58/822917758.db2.gz OXHAPGBQSDXNEH-UHFFFAOYSA-N 0 0 397.431 4.410 20 5 GIBDRN C[C@@H](C(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000569420127 822920512 /nfs/dbraw/zinc/92/05/12/822920512.db2.gz BFLKBRCHQGAVRA-JLTOFOAXSA-N 0 0 379.391 4.138 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000457846822 822925026 /nfs/dbraw/zinc/92/50/26/822925026.db2.gz HIMBVHNQENFYET-LSBZLQRGSA-N 0 0 383.448 4.252 20 5 GIBDRN C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000569467340 822926683 /nfs/dbraw/zinc/92/66/83/822926683.db2.gz ZBMDYNKDMJMVAQ-NSHDSACASA-N 0 0 377.326 4.367 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186634394 822926970 /nfs/dbraw/zinc/92/69/70/822926970.db2.gz RAFHSYKVLJZLTJ-UHFFFAOYSA-N 0 0 397.435 4.015 20 5 GIBDRN CCOc1ccc([C@H](C)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641939 822928295 /nfs/dbraw/zinc/92/82/95/822928295.db2.gz KPDXJGNOSVLIEF-LHSJRXKWSA-N 0 0 398.438 4.306 20 5 GIBDRN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000054986638 822928737 /nfs/dbraw/zinc/92/87/37/822928737.db2.gz PCHCEBPTNJJXHY-LBPRGKRZSA-N 0 0 393.237 4.004 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c1[N+](=O)[O-] ZINC000186652865 822929975 /nfs/dbraw/zinc/92/99/75/822929975.db2.gz YVZKFHSENMVKIK-UHFFFAOYSA-N 0 0 382.445 4.278 20 5 GIBDRN Cc1cc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000186653861 822930185 /nfs/dbraw/zinc/93/01/85/822930185.db2.gz QSGYCQHRFXLZSC-UHFFFAOYSA-N 0 0 379.196 4.150 20 5 GIBDRN COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1SC ZINC000457911072 822933294 /nfs/dbraw/zinc/93/32/94/822933294.db2.gz KTWDDJNLBCAJAP-UHFFFAOYSA-N 0 0 378.425 4.381 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(F)cc(Cl)cc1Cl ZINC000186671081 822934055 /nfs/dbraw/zinc/93/40/55/822934055.db2.gz QIZLVXGZUUMQPW-UHFFFAOYSA-N 0 0 379.196 4.150 20 5 GIBDRN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457934113 822939427 /nfs/dbraw/zinc/93/94/27/822939427.db2.gz SOVUGEJSGAHARN-SECBINFHSA-N 0 0 397.909 4.163 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000055124541 822940010 /nfs/dbraw/zinc/94/00/10/822940010.db2.gz SEXTYSHFEDOPFM-AWEZNQCLSA-N 0 0 386.473 4.187 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000457953739 822943538 /nfs/dbraw/zinc/94/35/38/822943538.db2.gz XBFCORBKQBKRMI-GFCCVEGCSA-N 0 0 381.354 4.150 20 5 GIBDRN CCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000175363408 822946967 /nfs/dbraw/zinc/94/69/67/822946967.db2.gz VVCPASGOFLQOLD-UHFFFAOYSA-N 0 0 399.447 4.377 20 5 GIBDRN COc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000055363052 822954617 /nfs/dbraw/zinc/95/46/17/822954617.db2.gz ZAQLRZWRAHLZIL-SNVBAGLBSA-N 0 0 398.387 4.324 20 5 GIBDRN COC1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000458064723 822954890 /nfs/dbraw/zinc/95/48/90/822954890.db2.gz NJUJYMBJRYEANZ-UHFFFAOYSA-N 0 0 386.473 4.433 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569708613 822957619 /nfs/dbraw/zinc/95/76/19/822957619.db2.gz UIYIEBUTDORWOT-AWEZNQCLSA-N 0 0 387.461 4.230 20 5 GIBDRN COc1cccc2c1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C2 ZINC000458135215 822961238 /nfs/dbraw/zinc/96/12/38/822961238.db2.gz MLWRWVIWVRISLF-CQSZACIVSA-N 0 0 386.473 4.001 20 5 GIBDRN Cc1c(Cc2noc(CO[C@H]3CCCc4ccccc43)n2)cccc1[N+](=O)[O-] ZINC000569739918 822961719 /nfs/dbraw/zinc/96/17/19/822961719.db2.gz VPZSVJUPKKSMJK-IBGZPJMESA-N 0 0 379.416 4.471 20 5 GIBDRN Cc1c(Cc2noc(CO[C@@H]3CCCc4ccccc43)n2)cccc1[N+](=O)[O-] ZINC000569739919 822961804 /nfs/dbraw/zinc/96/18/04/822961804.db2.gz VPZSVJUPKKSMJK-LJQANCHMSA-N 0 0 379.416 4.471 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@H]1C[C@@H]1C ZINC000569760618 822964928 /nfs/dbraw/zinc/96/49/28/822964928.db2.gz QELNWAOBFQYLGI-YUNKPMOVSA-N 0 0 392.415 4.090 20 5 GIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000175430081 822966660 /nfs/dbraw/zinc/96/66/60/822966660.db2.gz LNPZNQBQUOVLOF-DNVCBOLYSA-N 0 0 388.851 4.454 20 5 GIBDRN Cc1cc(CSc2ncccc2C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000055465729 822966831 /nfs/dbraw/zinc/96/68/31/822966831.db2.gz PDQGGCUDVCPXPP-CYBMUJFWSA-N 0 0 398.444 4.070 20 5 GIBDRN COc1ccccc1OCc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000055467563 822967344 /nfs/dbraw/zinc/96/73/44/822967344.db2.gz SXSXAKTWDHYJST-CQSZACIVSA-N 0 0 396.399 4.266 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@](F)(c2ccccc2)C1 ZINC000569829504 822973758 /nfs/dbraw/zinc/97/37/58/822973758.db2.gz YNMPCPITSGRANN-GOSISDBHSA-N 0 0 395.337 4.299 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1OC ZINC000175467186 822976168 /nfs/dbraw/zinc/97/61/68/822976168.db2.gz YAWYUOVVIANJBS-BBRMVZONSA-N 0 0 388.420 4.209 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055542134 822976171 /nfs/dbraw/zinc/97/61/71/822976171.db2.gz HNDKLYHQWKTERJ-VIFPVBQESA-N 0 0 386.351 4.455 20 5 GIBDRN CC[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1nc(C)cs1 ZINC000458308608 822981520 /nfs/dbraw/zinc/98/15/20/822981520.db2.gz ITSCZDLUCAFIPY-DOTOQJQBSA-N 0 0 388.493 4.400 20 5 GIBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2C)sc1Cc1ccccc1F ZINC000055579991 822981724 /nfs/dbraw/zinc/98/17/24/822981724.db2.gz WTDDJVAPVOZWGJ-UHFFFAOYSA-N 0 0 386.408 4.045 20 5 GIBDRN O=C(NCCOc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569909397 822984650 /nfs/dbraw/zinc/98/46/50/822984650.db2.gz SHPBEZYROMZLPQ-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN CCOc1cc(C)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055616808 822988010 /nfs/dbraw/zinc/98/80/10/822988010.db2.gz BRVDYUODUOMHMJ-UHFFFAOYSA-N 0 0 383.448 4.157 20 5 GIBDRN CCCOc1cc(C)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055620773 822988900 /nfs/dbraw/zinc/98/89/00/822988900.db2.gz DQDOEXOOTOQORX-UHFFFAOYSA-N 0 0 380.404 4.130 20 5 GIBDRN Cc1cn(-c2ccccc2)nc1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000569963883 822990487 /nfs/dbraw/zinc/99/04/87/822990487.db2.gz AYQUEQWZZWPCIK-UHFFFAOYSA-N 0 0 375.388 4.038 20 5 GIBDRN CSc1cccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000186974832 822990549 /nfs/dbraw/zinc/99/05/49/822990549.db2.gz OJHFPOCCSYTFDZ-AWEZNQCLSA-N 0 0 376.409 4.100 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000055654356 822994288 /nfs/dbraw/zinc/99/42/88/822994288.db2.gz QXQARMUBRIJEQC-ZDUSSCGKSA-N 0 0 376.434 4.083 20 5 GIBDRN CC(=O)Nc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2C)nc1-c1ccccc1 ZINC000187000107 822994828 /nfs/dbraw/zinc/99/48/28/822994828.db2.gz VGRQQPLNPWFURF-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000175546367 822994949 /nfs/dbraw/zinc/99/49/49/822994949.db2.gz SGZSGSHMHUDUKY-RYUDHWBXSA-N 0 0 377.238 4.279 20 5 GIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000187007936 822996433 /nfs/dbraw/zinc/99/64/33/822996433.db2.gz DVJFXKLDHGLGTF-UHFFFAOYSA-N 0 0 399.834 4.190 20 5 GIBDRN CC(=O)Nc1sc(NC(=O)c2cccc(C)c2[N+](=O)[O-])nc1-c1ccccc1 ZINC000187011209 822997274 /nfs/dbraw/zinc/99/72/74/822997274.db2.gz IYUAAXRJGSPUQO-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])c(C)c4)CC3)c2c1 ZINC000055681124 822998040 /nfs/dbraw/zinc/99/80/40/822998040.db2.gz GPDKDMDEZOCOTH-UHFFFAOYSA-N 0 0 393.443 4.413 20 5 GIBDRN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000175563128 822998470 /nfs/dbraw/zinc/99/84/70/822998470.db2.gz POJMCGRWVOWVKT-LLVKDONJSA-N 0 0 393.237 4.199 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000055688360 822999539 /nfs/dbraw/zinc/99/95/39/822999539.db2.gz XTHGRUVKGBDJPN-UHFFFAOYSA-N 0 0 379.800 4.012 20 5 GIBDRN O=C(Nc1cc(Br)c(F)cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000175582934 823001756 /nfs/dbraw/zinc/00/17/56/823001756.db2.gz ZPSMCMLMAMXVJB-UHFFFAOYSA-N 0 0 379.594 4.464 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])cc1OC ZINC000055712323 823001869 /nfs/dbraw/zinc/00/18/69/823001869.db2.gz MYWAKNRJVAOEDF-HNNXBMFYSA-N 0 0 390.823 4.073 20 5 GIBDRN CCSCC[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000175592006 823003520 /nfs/dbraw/zinc/00/35/20/823003520.db2.gz LHRUGHBTNCVGOZ-INIZCTEOSA-N 0 0 382.529 4.145 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(SCc3cccs3)s2)c1 ZINC000175599607 823004541 /nfs/dbraw/zinc/00/45/41/823004541.db2.gz DQSRLTTZKLJTSK-UHFFFAOYSA-N 0 0 392.487 4.361 20 5 GIBDRN Cc1c(NC(=O)c2cnc(C3CC3)s2)cc(Br)cc1[N+](=O)[O-] ZINC000570116738 823007286 /nfs/dbraw/zinc/00/72/86/823007286.db2.gz IXBGELBEQGWASP-UHFFFAOYSA-N 0 0 382.239 4.252 20 5 GIBDRN Cc1nc(-c2ccccc2C)sc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000570127114 823008282 /nfs/dbraw/zinc/00/82/82/823008282.db2.gz RYUXHZPSCMDWNG-UHFFFAOYSA-N 0 0 393.428 4.371 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000175627581 823009396 /nfs/dbraw/zinc/00/93/96/823009396.db2.gz DRAXQFAWJUCHFH-STQMWFEESA-N 0 0 375.400 4.172 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000187091642 823009628 /nfs/dbraw/zinc/00/96/28/823009628.db2.gz GCSRTMYXKZXCIX-HZPDHXFCSA-N 0 0 382.464 4.425 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000570150152 823010499 /nfs/dbraw/zinc/01/04/99/823010499.db2.gz GFECGPBHERWFHA-CYBMUJFWSA-N 0 0 394.855 4.496 20 5 GIBDRN CCOc1cc(F)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175635559 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381.251 4.473 20 5 GIBDRN CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175772322 823036903 /nfs/dbraw/zinc/03/69/03/823036903.db2.gz QZHDQOILNBFQCN-VIFPVBQESA-N 0 0 397.191 4.406 20 5 GIBDRN CCOc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000055768772 823041020 /nfs/dbraw/zinc/04/10/20/823041020.db2.gz AEBAVJGKKQNTFJ-UHFFFAOYSA-N 0 0 384.310 4.187 20 5 GIBDRN COc1cc(C(=O)N2CCCc3c(C)ccc(Cl)c32)cc([N+](=O)[O-])c1OC ZINC000411078618 823542085 /nfs/dbraw/zinc/54/20/85/823542085.db2.gz CVCLSBHRSQLSEE-UHFFFAOYSA-N 0 0 390.823 4.167 20 5 GIBDRN COc1cc(CSCC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190173027 823546025 /nfs/dbraw/zinc/54/60/25/823546025.db2.gz BWGINLYCDMIOMC-GFCCVEGCSA-N 0 0 377.409 4.050 20 5 GIBDRN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c([N+](=O)[O-])c1 ZINC000123864062 823547291 /nfs/dbraw/zinc/54/72/91/823547291.db2.gz JWAJNXKBHSKTIL-UHFFFAOYSA-N 0 0 395.419 4.059 20 5 GIBDRN COc1ccc2cc([C@H](C)C(=O)Oc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000060611383 823547807 /nfs/dbraw/zinc/54/78/07/823547807.db2.gz LFIBHYGMWBHRMY-ZDUSSCGKSA-N 0 0 381.384 4.474 20 5 GIBDRN CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C(F)(F)F ZINC000190197500 823549781 /nfs/dbraw/zinc/54/97/81/823549781.db2.gz UTBQPZBMWUYWCG-CYBMUJFWSA-N 0 0 384.358 4.055 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000060644021 823550158 /nfs/dbraw/zinc/55/01/58/823550158.db2.gz VVFVKGRKXYDLNO-NRFANRHFSA-N 0 0 388.427 4.084 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000411140929 823551344 /nfs/dbraw/zinc/55/13/44/823551344.db2.gz DUHJKZXOPKFFCY-QGZVFWFLSA-N 0 0 383.448 4.135 20 5 GIBDRN CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1cccs1 ZINC000411197017 823556314 /nfs/dbraw/zinc/55/63/14/823556314.db2.gz VCBBEWABOVGZBV-QGZVFWFLSA-N 0 0 389.477 4.197 20 5 GIBDRN CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H](CC)c1ccccc1 ZINC000411203787 823557305 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GIBDRN O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000120737222 823054817 /nfs/dbraw/zinc/05/48/17/823054817.db2.gz KPUGIYLMDJBQAH-CVEARBPZSA-N 0 0 396.340 4.429 20 5 GIBDRN CCc1ccc([C@@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000570591068 823058595 /nfs/dbraw/zinc/05/85/95/823058595.db2.gz CJYUWFUZDJHUQC-MRXNPFEDSA-N 0 0 378.432 4.053 20 5 GIBDRN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2s1 ZINC000120780864 823062732 /nfs/dbraw/zinc/06/27/32/823062732.db2.gz PNMMBYGLJTUVRY-UHFFFAOYSA-N 0 0 393.472 4.237 20 5 GIBDRN COc1ccc([C@H](C)CC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000175886337 823063661 /nfs/dbraw/zinc/06/36/61/823063661.db2.gz IXWFDJFLGKFBCJ-CQSZACIVSA-N 0 0 396.399 4.495 20 5 GIBDRN Cc1cnn(-c2ccc(N[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2F)c1 ZINC000570664640 823068839 /nfs/dbraw/zinc/06/88/39/823068839.db2.gz IOGQPUPCGWMWHD-SJLPKXTDSA-N 0 0 384.415 4.020 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000055941431 823068902 /nfs/dbraw/zinc/06/89/02/823068902.db2.gz NIHADLRKWBOAOP-LBPRGKRZSA-N 0 0 397.362 4.070 20 5 GIBDRN CC(C)S(=O)(=O)Cc1ccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000570664776 823069295 /nfs/dbraw/zinc/06/92/95/823069295.db2.gz NAECSXDWJCCJDY-FQEVSTJZSA-N 0 0 388.489 4.408 20 5 GIBDRN CCCCN(CC(F)(F)F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120828989 823072759 /nfs/dbraw/zinc/07/27/59/823072759.db2.gz SAJPLWUOZHKIOI-UHFFFAOYSA-N 0 0 383.164 4.162 20 5 GIBDRN CN1Cc2cc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)ccc2NC1=O ZINC000187486055 823073441 /nfs/dbraw/zinc/07/34/41/823073441.db2.gz KBCSKRROAPASPH-UHFFFAOYSA-N 0 0 378.388 4.444 20 5 GIBDRN O=C(NCc1cccc2cc[nH]c21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458686765 823074219 /nfs/dbraw/zinc/07/42/19/823074219.db2.gz KYWWCSPEINXHIU-SFHVURJKSA-N 0 0 378.432 4.165 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000570716793 823074973 /nfs/dbraw/zinc/07/49/73/823074973.db2.gz MTMUHTQOLQGUEG-YGRLFVJLSA-N 0 0 397.273 4.070 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H](c1ccccc1)c1ccncc1 ZINC000120843428 823075192 /nfs/dbraw/zinc/07/51/92/823075192.db2.gz ZHJLCVSNBOQGKL-JOCHJYFZSA-N 0 0 387.395 4.346 20 5 GIBDRN O=C(NCc1ccc2ncccc2c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458716020 823077545 /nfs/dbraw/zinc/07/75/45/823077545.db2.gz QPEMVMXTDVCUHV-LJQANCHMSA-N 0 0 390.443 4.232 20 5 GIBDRN CCC(CC)[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccs1 ZINC000056008036 823078446 /nfs/dbraw/zinc/07/84/46/823078446.db2.gz OYHXMHHPMUXKDO-GOSISDBHSA-N 0 0 399.476 4.144 20 5 GIBDRN Cc1cccnc1[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000175949149 823080135 /nfs/dbraw/zinc/08/01/35/823080135.db2.gz FHONVEBSQUPNGO-OAHLLOKOSA-N 0 0 392.253 4.188 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000120874613 823080635 /nfs/dbraw/zinc/08/06/35/823080635.db2.gz JEJAFLPTWJBUSO-NRFANRHFSA-N 0 0 380.375 4.394 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3C3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000056034050 823080630 /nfs/dbraw/zinc/08/06/30/823080630.db2.gz WHWMZYPETKTMMM-FQEVSTJZSA-N 0 0 396.491 4.251 20 5 GIBDRN CN(Cc1nc2ccccc2s1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000120874554 823080749 /nfs/dbraw/zinc/08/07/49/823080749.db2.gz PNAJYXQOLGLZCV-UHFFFAOYSA-N 0 0 398.488 4.369 20 5 GIBDRN O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc2ccccc2c2cccnc12 ZINC000056085648 823082794 /nfs/dbraw/zinc/08/27/94/823082794.db2.gz DQWBEYKOTJPVFA-UHFFFAOYSA-N 0 0 383.386 4.360 20 5 GIBDRN CN(C)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 ZINC000056113311 823084769 /nfs/dbraw/zinc/08/47/69/823084769.db2.gz VZJSJNZOSRGOER-UHFFFAOYSA-N 0 0 392.337 4.413 20 5 GIBDRN Cc1sc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000175970186 823084945 /nfs/dbraw/zinc/08/49/45/823084945.db2.gz LKCPRCKNVKYDMY-UHFFFAOYSA-N 0 0 395.343 4.473 20 5 GIBDRN CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120911261 823085518 /nfs/dbraw/zinc/08/55/18/823085518.db2.gz HWEDKGJOPQWYSH-UHFFFAOYSA-N 0 0 378.413 4.025 20 5 GIBDRN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000120953761 823092181 /nfs/dbraw/zinc/09/21/81/823092181.db2.gz NYXRFPLALUMLHQ-UHFFFAOYSA-N 0 0 394.214 4.046 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCCO2)CC1 ZINC000187576341 823091228 /nfs/dbraw/zinc/09/12/28/823091228.db2.gz HVFAUSOAIGGJBJ-OAQYLSRUSA-N 0 0 395.459 4.370 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccc(O)cc3)cc2[N+](=O)[O-])n1 ZINC000120950879 823091739 /nfs/dbraw/zinc/09/17/39/823091739.db2.gz RCNNIVGIQSTUJR-UHFFFAOYSA-N 0 0 387.442 4.469 20 5 GIBDRN Cc1ccc2c(c1)nc(CNCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)n2C ZINC000187586719 823093221 /nfs/dbraw/zinc/09/32/21/823093221.db2.gz SSGGULCHSMCUJY-UHFFFAOYSA-N 0 0 376.416 4.340 20 5 GIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccccc2CN2CCOCC2)o1 ZINC000120969432 823095042 /nfs/dbraw/zinc/09/50/42/823095042.db2.gz WEHFYVZFIUEXHY-UHFFFAOYSA-N 0 0 393.443 4.299 20 5 GIBDRN O=C(c1cnn(-c2ccccc2Cl)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120980073 823096665 /nfs/dbraw/zinc/09/66/65/823096665.db2.gz WNLYZCAOWUQZEX-UHFFFAOYSA-N 0 0 382.807 4.027 20 5 GIBDRN C[C@H](NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000458892965 823102730 /nfs/dbraw/zinc/10/27/30/823102730.db2.gz WICQIOWBVJAFBZ-LIRRHRJNSA-N 0 0 393.447 4.469 20 5 GIBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000056219230 823105938 /nfs/dbraw/zinc/10/59/38/823105938.db2.gz FAOFBVCXSZBLIP-LJQANCHMSA-N 0 0 397.456 4.177 20 5 GIBDRN O=C(CCc1ccc(OC(F)F)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121039240 823107078 /nfs/dbraw/zinc/10/70/78/823107078.db2.gz KPFDJQDVYFRZID-UHFFFAOYSA-N 0 0 376.359 4.108 20 5 GIBDRN CCc1ccc([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000570931588 823109146 /nfs/dbraw/zinc/10/91/46/823109146.db2.gz WPGWRFCIOPZRRR-HXUWFJFHSA-N 0 0 385.464 4.350 20 5 GIBDRN COc1cc(Cc2noc(Cc3c[nH]c4ccc(Cl)cc34)n2)ccc1[N+](=O)[O-] ZINC000570982589 823115316 /nfs/dbraw/zinc/11/53/16/823115316.db2.gz YQTSTKDZEKHBIG-UHFFFAOYSA-N 0 0 398.806 4.303 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCSc2ccncc21 ZINC000176101684 823120836 /nfs/dbraw/zinc/12/08/36/823120836.db2.gz QGTYWQBAZCLGDM-UHFFFAOYSA-N 0 0 392.440 4.486 20 5 GIBDRN COc1c(Cl)cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000056287115 823121320 /nfs/dbraw/zinc/12/13/20/823121320.db2.gz LSPXNXQKFYBWEQ-UHFFFAOYSA-N 0 0 375.812 4.109 20 5 GIBDRN Cc1nc([C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccccc2F)no1 ZINC000187731887 823121410 /nfs/dbraw/zinc/12/14/10/823121410.db2.gz GKXZSHQGRSCGRB-SFHVURJKSA-N 0 0 398.394 4.068 20 5 GIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(NCc2nnc(-c3ccccc3)s2)c1 ZINC000121118124 823121536 /nfs/dbraw/zinc/12/15/36/823121536.db2.gz WPCZSFNCLOKLQC-UHFFFAOYSA-N 0 0 378.360 4.327 20 5 GIBDRN COc1ccc2c(CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)coc2c1 ZINC000056287883 823121819 /nfs/dbraw/zinc/12/18/19/823121819.db2.gz UASNVTMCFMGBDN-UHFFFAOYSA-N 0 0 382.416 4.329 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2ccccc2F)on1 ZINC000056288122 823121826 /nfs/dbraw/zinc/12/18/26/823121826.db2.gz KQMFCBCRBCWKQY-UHFFFAOYSA-N 0 0 383.379 4.440 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000056288123 823121842 /nfs/dbraw/zinc/12/18/42/823121842.db2.gz KHUVAWSDSCYTTB-UHFFFAOYSA-N 0 0 379.416 4.230 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000056288403 823122051 /nfs/dbraw/zinc/12/20/51/823122051.db2.gz BLLDYCCZXGHIFQ-QRWLVFNGSA-N 0 0 395.459 4.240 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000056288448 823122062 /nfs/dbraw/zinc/12/20/62/823122062.db2.gz GSMIAJWXWHZAJE-UHFFFAOYSA-N 0 0 391.431 4.179 20 5 GIBDRN O=C(Nc1ccccc1OCC(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056321743 823127616 /nfs/dbraw/zinc/12/76/16/823127616.db2.gz ZDCYPUQFKKGVNY-UHFFFAOYSA-N 0 0 379.294 4.270 20 5 GIBDRN CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571072233 823128151 /nfs/dbraw/zinc/12/81/51/823128151.db2.gz XNVJMCRKGVLHPD-AWEZNQCLSA-N 0 0 398.868 4.029 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000459128079 823131956 /nfs/dbraw/zinc/13/19/56/823131956.db2.gz JASUAGIOVLBRBH-FQEVSTJZSA-N 0 0 396.491 4.486 20 5 GIBDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000056348513 823132848 /nfs/dbraw/zinc/13/28/48/823132848.db2.gz HIUJOGURIJJZHC-AWEZNQCLSA-N 0 0 390.823 4.448 20 5 GIBDRN COc1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000121192871 823136037 /nfs/dbraw/zinc/13/60/37/823136037.db2.gz HULIRXATTNPWJL-UHFFFAOYSA-N 0 0 387.392 4.047 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000571143828 823140342 /nfs/dbraw/zinc/14/03/42/823140342.db2.gz STZGFQDPAVJKOZ-ZJUUUORDSA-N 0 0 383.267 4.400 20 5 GIBDRN C[C@H](C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571225305 823151504 /nfs/dbraw/zinc/15/15/04/823151504.db2.gz NTTRAKVJLXJXRO-UZCIPKQKSA-N 0 0 392.814 4.137 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000176189830 823148705 /nfs/dbraw/zinc/14/87/05/823148705.db2.gz DKGJDOPSYOFPNC-NWDGAFQWSA-N 0 0 377.238 4.279 20 5 GIBDRN O=C(N[C@@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000187895604 823154199 /nfs/dbraw/zinc/15/41/99/823154199.db2.gz KEAWYEFVVCDOSS-MAUKXSAKSA-N 0 0 392.521 4.158 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000176216516 823154665 /nfs/dbraw/zinc/15/46/65/823154665.db2.gz AWFHCLJNMFRIGI-UHFFFAOYSA-N 0 0 394.387 4.173 20 5 GIBDRN O=C(C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000176217199 823154951 /nfs/dbraw/zinc/15/49/51/823154951.db2.gz RJTAQSNZSHYCSE-HNNXBMFYSA-N 0 0 399.472 4.108 20 5 GIBDRN C[C@H](NC(=O)NCc1cc(F)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000056465584 823155457 /nfs/dbraw/zinc/15/54/57/823155457.db2.gz VCVNSJOGXQNUDG-JTQLQIEISA-N 0 0 396.216 4.057 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176220537 823155541 /nfs/dbraw/zinc/15/55/41/823155541.db2.gz UNPDCNAGZORQNS-UHFFFAOYSA-N 0 0 385.420 4.404 20 5 GIBDRN Cc1coc2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc12 ZINC000187934448 823160544 /nfs/dbraw/zinc/16/05/44/823160544.db2.gz BGDFYSKADKBXSF-UHFFFAOYSA-N 0 0 380.404 4.004 20 5 GIBDRN CC(C)c1ccc(C(=O)NCc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000187948078 823162704 /nfs/dbraw/zinc/16/27/04/823162704.db2.gz ZCZRQLVKKXKIPJ-UHFFFAOYSA-N 0 0 382.445 4.167 20 5 GIBDRN Cc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000056530419 823163168 /nfs/dbraw/zinc/16/31/68/823163168.db2.gz QFDXWTZWHCLTLL-UHFFFAOYSA-N 0 0 396.447 4.354 20 5 GIBDRN O=C([O-])c1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000571314278 823164229 /nfs/dbraw/zinc/16/42/29/823164229.db2.gz HXVFPPCDEQACLC-SFHVURJKSA-N 0 0 389.839 4.195 20 5 GIBDRN COc1ccc([C@H](C)Nc2ncc(Br)cc2[N+](=O)[O-])c(C)c1OC ZINC000571318133 823164457 /nfs/dbraw/zinc/16/44/57/823164457.db2.gz QIEMWTONQVVTBU-JTQLQIEISA-N 0 0 396.241 4.251 20 5 GIBDRN CC(C)(Oc1ccc(F)cc1)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000571324390 823165485 /nfs/dbraw/zinc/16/54/85/823165485.db2.gz UVLLUZJBBBSLQH-UHFFFAOYSA-N 0 0 386.383 4.086 20 5 GIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176263617 823166592 /nfs/dbraw/zinc/16/65/92/823166592.db2.gz IPONKJMLOUSNKI-RPHGYIDUSA-N 0 0 395.868 4.211 20 5 GIBDRN O=C(Nc1ccc(C(=O)C2CCC2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571335170 823166874 /nfs/dbraw/zinc/16/68/74/823166874.db2.gz WSHJANZVGKWLKX-UHFFFAOYSA-N 0 0 395.415 4.004 20 5 GIBDRN Cc1nc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000121366404 823171270 /nfs/dbraw/zinc/17/12/70/823171270.db2.gz KXNVHDMJYACNDN-UHFFFAOYSA-N 0 0 389.770 4.281 20 5 GIBDRN CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000571363042 823171350 /nfs/dbraw/zinc/17/13/50/823171350.db2.gz JOEJMNKASCCOLX-OJNOIJSXSA-N 0 0 378.388 4.029 20 5 GIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCc2ccccc21 ZINC000176301032 823176406 /nfs/dbraw/zinc/17/64/06/823176406.db2.gz SRXCXXMGULYAJM-QGZVFWFLSA-N 0 0 389.249 4.046 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1[N+](=O)[O-] ZINC000188047118 823176955 /nfs/dbraw/zinc/17/69/55/823176955.db2.gz FEKIXAVTNLPQIJ-UHFFFAOYSA-N 0 0 395.419 4.087 20 5 GIBDRN CCn1c(SC[C@@H]2CCC3(CCCC3)O2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000571424980 823181083 /nfs/dbraw/zinc/18/10/83/823181083.db2.gz ODYCRINZNYIEFX-INIZCTEOSA-N 0 0 388.493 4.457 20 5 GIBDRN CC(C)[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2[nH]1 ZINC000056618454 823182185 /nfs/dbraw/zinc/18/21/85/823182185.db2.gz MCWJIIIIEHBDAD-QGZVFWFLSA-N 0 0 377.404 4.080 20 5 GIBDRN COc1cc(Cc2noc(-c3sccc3C3CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000571446191 823183617 /nfs/dbraw/zinc/18/36/17/823183617.db2.gz IVUKKQOQHJARTH-UHFFFAOYSA-N 0 0 387.417 4.192 20 5 GIBDRN COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000121502621 823195966 /nfs/dbraw/zinc/19/59/66/823195966.db2.gz VICHIXZZECSGNX-LBPRGKRZSA-N 0 0 375.812 4.278 20 5 GIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188124437 823190291 /nfs/dbraw/zinc/19/02/91/823190291.db2.gz ZVFCUAQXUDNCFC-GFCCVEGCSA-N 0 0 384.461 4.177 20 5 GIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188124461 823190407 /nfs/dbraw/zinc/19/04/07/823190407.db2.gz ZVFCUAQXUDNCFC-LBPRGKRZSA-N 0 0 384.461 4.177 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188145047 823193407 /nfs/dbraw/zinc/19/34/07/823193407.db2.gz XUOKUGHJIJTPAW-UHFFFAOYSA-N 0 0 378.350 4.004 20 5 GIBDRN COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000121502472 823195930 /nfs/dbraw/zinc/19/59/30/823195930.db2.gz VICHIXZZECSGNX-GFCCVEGCSA-N 0 0 375.812 4.278 20 5 GIBDRN Cc1ccc(-c2nsc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)s1 ZINC000571646667 823213884 /nfs/dbraw/zinc/21/38/84/823213884.db2.gz DKASMOKTIXMPSF-UHFFFAOYSA-N 0 0 385.430 4.217 20 5 GIBDRN COc1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])ccn1 ZINC000571718638 823224080 /nfs/dbraw/zinc/22/40/80/823224080.db2.gz KMLLWSQBNKUHGD-UHFFFAOYSA-N 0 0 381.413 4.402 20 5 GIBDRN Cc1c(NC(=O)C2(c3ccccc3Br)CC2)cccc1[N+](=O)[O-] ZINC000188357209 823225251 /nfs/dbraw/zinc/22/52/51/823225251.db2.gz CSFGXYNSCUDIIX-UHFFFAOYSA-N 0 0 375.222 4.336 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccs1)C(C)(C)CO ZINC000459586487 823225955 /nfs/dbraw/zinc/22/59/55/823225955.db2.gz UCXOCHYDZZSFBR-MRXNPFEDSA-N 0 0 377.466 4.100 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000056889219 823228610 /nfs/dbraw/zinc/22/86/10/823228610.db2.gz LPLRNFQICQYIGQ-UGSOOPFHSA-N 0 0 389.839 4.092 20 5 GIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176544235 823233648 /nfs/dbraw/zinc/23/36/48/823233648.db2.gz LWUJLYLHBCOJLE-JSGCOSHPSA-N 0 0 387.299 4.151 20 5 GIBDRN CC[C@H]1Oc2cc([C@@H](C)Nc3c(F)cc([N+](=O)[O-])cc3F)ccc2NC1=O ZINC000121746243 823241643 /nfs/dbraw/zinc/24/16/43/823241643.db2.gz NMYPGTRLSLXGBF-RFAUZJTJSA-N 0 0 377.347 4.156 20 5 GIBDRN C[S@](=O)Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1Cl ZINC000176594825 823243792 /nfs/dbraw/zinc/24/37/92/823243792.db2.gz AECGGFCRRNKQJN-DEOSSOPVSA-N 0 0 387.244 4.032 20 5 GIBDRN Cc1cc(NC(=O)Cc2cccc(Cl)c2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571844363 823243958 /nfs/dbraw/zinc/24/39/58/823243958.db2.gz JWRUISIDGIGGLV-UHFFFAOYSA-N 0 0 388.786 4.063 20 5 GIBDRN COC(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(C(F)(F)F)c1 ZINC000121756575 823244094 /nfs/dbraw/zinc/24/40/94/823244094.db2.gz HTHQCVYXVHPJGA-UHFFFAOYSA-N 0 0 397.309 4.353 20 5 GIBDRN CCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000176599822 823245270 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GIBDRN Cc1cccc2oc(CCNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 ZINC000409587898 823255721 /nfs/dbraw/zinc/25/57/21/823255721.db2.gz SEDMBZMVIBFSPQ-UHFFFAOYSA-N 0 0 393.321 4.036 20 5 GIBDRN Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000001943888 817377766 /nfs/dbraw/zinc/37/77/66/817377766.db2.gz SRUBPUBCAQUMSY-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001983993 817379610 /nfs/dbraw/zinc/37/96/10/817379610.db2.gz IIKGRLAIXKMXOG-AWEZNQCLSA-N 0 0 384.432 4.212 20 5 GIBDRN Cc1nn(C)c(C)c1CCC(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000176661772 823260302 /nfs/dbraw/zinc/26/03/02/823260302.db2.gz MTFKLOABFKARSK-UHFFFAOYSA-N 0 0 393.443 4.074 20 5 GIBDRN O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1csc([N+](=O)[O-])c1 ZINC000176665850 823261690 /nfs/dbraw/zinc/26/16/90/823261690.db2.gz BJVOGMGHXBMZAR-UHFFFAOYSA-N 0 0 381.316 4.165 20 5 GIBDRN Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003401147 817449183 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LIUSZXBPFQOQRC-VIFPVBQESA-N 0 0 382.207 4.374 20 5 GIBDRN C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cc2ccccc2s1 ZINC000460274301 823336928 /nfs/dbraw/zinc/33/69/28/823336928.db2.gz HXIUGLXGALVHSF-ZDUSSCGKSA-N 0 0 397.456 4.475 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1csc(C2CCCCC2)n1 ZINC000057858684 823342863 /nfs/dbraw/zinc/34/28/63/823342863.db2.gz IZKXWVLBDCZZRS-UHFFFAOYSA-N 0 0 396.472 4.371 20 5 GIBDRN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016722618 818469104 /nfs/dbraw/zinc/46/91/04/818469104.db2.gz GXTWTCYTJVHLTA-UHFFFAOYSA-N 0 0 387.465 4.321 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1cccs1 ZINC000409898230 823339023 /nfs/dbraw/zinc/33/90/23/823339023.db2.gz MNZFCBWPQUPJNS-UHFFFAOYSA-N 0 0 382.441 4.208 20 5 GIBDRN Cc1csc(=O)n1CCSc1nc2ccccc2c2nc3ccccc3n21 ZINC000057863046 823343090 /nfs/dbraw/zinc/34/30/90/823343090.db2.gz ZOWCSMHHGRXLQX-UHFFFAOYSA-N 0 0 392.509 4.360 20 5 GIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057837031 823339741 /nfs/dbraw/zinc/33/97/41/823339741.db2.gz CZFQVHVOCBIMIM-UHFFFAOYSA-N 0 0 383.404 4.369 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000057841463 823340239 /nfs/dbraw/zinc/34/02/39/823340239.db2.gz CPWBZXZDNOMHAT-CQSZACIVSA-N 0 0 384.457 4.097 20 5 GIBDRN C[S@@](=O)c1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1 ZINC000017149975 818501537 /nfs/dbraw/zinc/50/15/37/818501537.db2.gz YLCPXBLSKGEOOX-MHZLTWQESA-N 0 0 375.449 4.482 20 5 GIBDRN Cc1ccc(CSCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017603661 818522096 /nfs/dbraw/zinc/52/20/96/818522096.db2.gz PDQMXTVUTHIKJH-UHFFFAOYSA-N 0 0 376.503 4.045 20 5 GIBDRN Cc1cccc(-c2nnc([C@H](C)OC(=O)CSc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000017654046 818522458 /nfs/dbraw/zinc/52/24/58/818522458.db2.gz KANRVSJOWGMKTH-ZDUSSCGKSA-N 0 0 399.428 4.350 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000057874083 823343714 /nfs/dbraw/zinc/34/37/14/823343714.db2.gz YGOIFTCUAXPFAG-NSHDSACASA-N 0 0 382.247 4.499 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000017917081 818533323 /nfs/dbraw/zinc/53/33/23/818533323.db2.gz LRJURAKXKKHTNM-UHFFFAOYSA-N 0 0 398.202 4.390 20 5 GIBDRN CC(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000018136226 818549907 /nfs/dbraw/zinc/54/99/07/818549907.db2.gz RGJBDGNZCTUXRL-NRFANRHFSA-N 0 0 399.466 4.464 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000018238466 818560910 /nfs/dbraw/zinc/56/09/10/818560910.db2.gz LUXBICOGFJXFJP-NSHDSACASA-N 0 0 388.445 4.291 20 5 GIBDRN CC(C)(COCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000409930167 823346060 /nfs/dbraw/zinc/34/60/60/823346060.db2.gz GBIDLTCTUQRJPX-UHFFFAOYSA-N 0 0 379.416 4.325 20 5 GIBDRN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1OC(F)(F)F ZINC000176998757 823346310 /nfs/dbraw/zinc/34/63/10/823346310.db2.gz WOLGJJWAZRVBEU-UHFFFAOYSA-N 0 0 381.310 4.267 20 5 GIBDRN O=C(COc1ccsc1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000409932178 823346260 /nfs/dbraw/zinc/34/62/60/823346260.db2.gz MOMOTGLSSBHCMO-UHFFFAOYSA-N 0 0 384.413 4.253 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)COCc1ccccc1 ZINC000409933460 823346855 /nfs/dbraw/zinc/34/68/55/823346855.db2.gz ZIBKJDANELKDLH-UHFFFAOYSA-N 0 0 376.840 4.282 20 5 GIBDRN CC(C)(NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000177002507 823346984 /nfs/dbraw/zinc/34/69/84/823346984.db2.gz JAKWBBBMCIIUOJ-IBGZPJMESA-N 0 0 399.447 4.209 20 5 GIBDRN O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000018839700 818579230 /nfs/dbraw/zinc/57/92/30/818579230.db2.gz CHGGINFOBKXGNE-UHFFFAOYSA-N 0 0 390.237 4.210 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F ZINC000057909510 823347585 /nfs/dbraw/zinc/34/75/85/823347585.db2.gz RYSJJPYNBLSSNB-VXGBXAGGSA-N 0 0 378.425 4.101 20 5 GIBDRN COc1ccc(OC(F)F)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000177010402 823348956 /nfs/dbraw/zinc/34/89/56/823348956.db2.gz ZXSOFEDIYWLCRM-UHFFFAOYSA-N 0 0 395.362 4.262 20 5 GIBDRN Cc1ccc(-n2ccnc2SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000021152293 818659481 /nfs/dbraw/zinc/65/94/81/818659481.db2.gz NFNPEBOWAJYLCM-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000177017233 823350136 /nfs/dbraw/zinc/35/01/36/823350136.db2.gz PFWHJBLFSODBAU-AWEZNQCLSA-N 0 0 376.416 4.038 20 5 GIBDRN O=C(Nc1nnc(C2CC2)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000021291704 818672620 /nfs/dbraw/zinc/67/26/20/818672620.db2.gz IJBWMLPAPJTWAK-UHFFFAOYSA-N 0 0 395.444 4.188 20 5 GIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000177041238 823357184 /nfs/dbraw/zinc/35/71/84/823357184.db2.gz IJFSVVLLCKFGOZ-UHFFFAOYSA-N 0 0 398.463 4.098 20 5 GIBDRN Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)cc1[N+](=O)[O-] ZINC000021594560 818711421 /nfs/dbraw/zinc/71/14/21/818711421.db2.gz JXTKIRQSXRKXRU-UHFFFAOYSA-N 0 0 382.445 4.128 20 5 GIBDRN C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000021669612 818722443 /nfs/dbraw/zinc/72/24/43/818722443.db2.gz OXOXBENEFJPLBK-PXAZEXFGSA-N 0 0 398.444 4.089 20 5 GIBDRN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000021676287 818724270 /nfs/dbraw/zinc/72/42/70/818724270.db2.gz DPKNDFWNJMKFHF-UHFFFAOYSA-N 0 0 391.214 4.399 20 5 GIBDRN CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122467107 823358555 /nfs/dbraw/zinc/35/85/55/823358555.db2.gz HUGKGCJPQVPWTP-CYBMUJFWSA-N 0 0 391.855 4.106 20 5 GIBDRN CCc1nccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000572548568 823359165 /nfs/dbraw/zinc/35/91/65/823359165.db2.gz NDKKVHXUKAMKFN-KRWDZBQOSA-N 0 0 395.438 4.224 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000021846571 818746303 /nfs/dbraw/zinc/74/63/03/818746303.db2.gz CEKYJGYTSIOJRG-GFCCVEGCSA-N 0 0 388.445 4.028 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000460346506 823359989 /nfs/dbraw/zinc/35/99/89/823359989.db2.gz JZQKNAAWHLBQSJ-GJZGRUSLSA-N 0 0 385.489 4.195 20 5 GIBDRN O=C(Cc1cccc(OC(F)F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460347751 823360328 /nfs/dbraw/zinc/36/03/28/823360328.db2.gz KBWHBTAFMOVWIJ-QGZVFWFLSA-N 0 0 394.399 4.013 20 5 GIBDRN Cc1c(CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000409983480 823362264 /nfs/dbraw/zinc/36/22/64/823362264.db2.gz MLYYVGJMHMTHIR-KDOFPFPSSA-N 0 0 392.814 4.090 20 5 GIBDRN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000022135501 818775838 /nfs/dbraw/zinc/77/58/38/818775838.db2.gz UAEHQHMDEVPXSE-UHFFFAOYSA-N 0 0 387.395 4.010 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000022444407 818807210 /nfs/dbraw/zinc/80/72/10/818807210.db2.gz MRKOHEMOTSDFKI-HUUCEWRRSA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000022495685 818818267 /nfs/dbraw/zinc/81/82/67/818818267.db2.gz JJGGIBIGOFUHDN-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1cc(C)c(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000022508052 818819333 /nfs/dbraw/zinc/81/93/33/818819333.db2.gz CHRVIVFCRWYFDP-LLVKDONJSA-N 0 0 393.827 4.013 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000022544407 818822367 /nfs/dbraw/zinc/82/23/67/818822367.db2.gz MBKMRDUCCQFZOH-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000022555872 818825989 /nfs/dbraw/zinc/82/59/89/818825989.db2.gz XLVGTEWEXHZRME-QFIPXVFZSA-N 0 0 394.402 4.361 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000022793129 818861401 /nfs/dbraw/zinc/86/14/01/818861401.db2.gz QAVFUBROJVWAIH-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(NCc2ccccc2)n1 ZINC000022883999 818871380 /nfs/dbraw/zinc/87/13/80/818871380.db2.gz BNBLXSKLGXVIHH-UHFFFAOYSA-N 0 0 399.428 4.029 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000022973079 818881990 /nfs/dbraw/zinc/88/19/90/818881990.db2.gz KTVQHHVYYSMGFA-HZPDHXFCSA-N 0 0 388.489 4.360 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000022975755 818882652 /nfs/dbraw/zinc/88/26/52/818882652.db2.gz SKETYGJVFTZVGU-CQSZACIVSA-N 0 0 399.447 4.148 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000122566980 823373717 /nfs/dbraw/zinc/37/37/17/823373717.db2.gz DFWMFUYYKWOXES-RNODOKPDSA-N 0 0 384.432 4.056 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000460394074 823374715 /nfs/dbraw/zinc/37/47/15/823374715.db2.gz LSQLZNZULFLZBD-NTDBWNAOSA-N 0 0 385.508 4.482 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)OCC(=O)c2cccn2C)cc1[N+](=O)[O-] ZINC000023430907 818940446 /nfs/dbraw/zinc/94/04/46/818940446.db2.gz ZHWXOMILSIXEFO-UHFFFAOYSA-N 0 0 390.461 4.111 20 5 GIBDRN Cc1cc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c(C)[nH]1 ZINC000023463716 818943656 /nfs/dbraw/zinc/94/36/56/818943656.db2.gz SZGRUUSYQQPJSZ-UHFFFAOYSA-N 0 0 377.469 4.007 20 5 GIBDRN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000023603164 818963428 /nfs/dbraw/zinc/96/34/28/818963428.db2.gz ZVCHFTNZMAFQGQ-UHFFFAOYSA-N 0 0 397.475 4.112 20 5 GIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cc2ccccc2o1 ZINC000023927845 818995029 /nfs/dbraw/zinc/99/50/29/818995029.db2.gz XMUXOZZHUJNJOM-AWEZNQCLSA-N 0 0 379.416 4.432 20 5 GIBDRN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n[nH]2)cc1 ZINC000024000786 819005534 /nfs/dbraw/zinc/00/55/34/819005534.db2.gz SPSQODPRCMHTHS-CYBMUJFWSA-N 0 0 397.460 4.116 20 5 GIBDRN COc1cccc(Cc2cnc(NC(=O)c3cccc(C)c3[N+](=O)[O-])s2)c1 ZINC000024031434 819011666 /nfs/dbraw/zinc/01/16/66/819011666.db2.gz ONZKGFWCBZCDLR-UHFFFAOYSA-N 0 0 383.429 4.211 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c2ncccc12 ZINC000024058724 819017066 /nfs/dbraw/zinc/01/70/66/819017066.db2.gz SJGHXONTEFBYCU-UHFFFAOYSA-N 0 0 382.851 4.119 20 5 GIBDRN C[C@H](CCOCc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000572674190 823380314 /nfs/dbraw/zinc/38/03/14/823380314.db2.gz AKIQMKBGLKQKAD-OAHLLOKOSA-N 0 0 388.439 4.123 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410053273 823380931 /nfs/dbraw/zinc/38/09/31/823380931.db2.gz LWQYFUACWMNWIU-CQSZACIVSA-N 0 0 392.209 4.003 20 5 GIBDRN Cc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1c(F)cccc1F ZINC000572680336 823381256 /nfs/dbraw/zinc/38/12/56/823381256.db2.gz FSTUMVCMEKKVPQ-UHFFFAOYSA-N 0 0 383.314 4.084 20 5 GIBDRN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024231584 819038303 /nfs/dbraw/zinc/03/83/03/819038303.db2.gz MTFPJOCMZUMXME-BHIYHBOVSA-N 0 0 385.508 4.286 20 5 GIBDRN C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 ZINC000460416616 823381962 /nfs/dbraw/zinc/38/19/62/823381962.db2.gz RMHVNYQZBFTKHC-MRXNPFEDSA-N 0 0 377.448 4.085 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2F)c1 ZINC000572688923 823383417 /nfs/dbraw/zinc/38/34/17/823383417.db2.gz GGDMUPVCHQUVHL-JTQLQIEISA-N 0 0 381.201 4.296 20 5 GIBDRN CCOC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2s1 ZINC000177149618 823383568 /nfs/dbraw/zinc/38/35/68/823383568.db2.gz MGPUWYYPHCCWFU-UHFFFAOYSA-N 0 0 388.376 4.378 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122629057 823384476 /nfs/dbraw/zinc/38/44/76/823384476.db2.gz NGBQINGGJUYXNF-UHFFFAOYSA-N 0 0 379.401 4.155 20 5 GIBDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000460430699 823386769 /nfs/dbraw/zinc/38/67/69/823386769.db2.gz PLOAAWJOUHRCRR-LJQANCHMSA-N 0 0 398.459 4.173 20 5 GIBDRN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)c1ccccc1 ZINC000177183207 823393406 /nfs/dbraw/zinc/39/34/06/823393406.db2.gz UPUYXTQVSGOLIP-IAGOWNOFSA-N 0 0 381.476 4.120 20 5 GIBDRN O=C(C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 ZINC000122663068 823389773 /nfs/dbraw/zinc/38/97/73/823389773.db2.gz LOBQOWBWPUCXKD-LBPRGKRZSA-N 0 0 383.429 4.015 20 5 GIBDRN COc1ccc(CCC2CCN(C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000410106601 823393690 /nfs/dbraw/zinc/39/36/90/823393690.db2.gz GVFQVIJLLKTGDW-UHFFFAOYSA-N 0 0 398.459 4.097 20 5 GIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000460460151 823397116 /nfs/dbraw/zinc/39/71/16/823397116.db2.gz HMOLETLLUYMOLU-LLVKDONJSA-N 0 0 396.802 4.042 20 5 GIBDRN CCOc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000058477284 823397556 /nfs/dbraw/zinc/39/75/56/823397556.db2.gz ZBCCFBQAOLZEDJ-UHFFFAOYSA-N 0 0 377.828 4.478 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccccc1 ZINC000177202981 823398329 /nfs/dbraw/zinc/39/83/29/823398329.db2.gz ZGIUIKPTTQXPOB-VXGBXAGGSA-N 0 0 377.238 4.279 20 5 GIBDRN CCOc1ccccc1CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572796609 823400186 /nfs/dbraw/zinc/40/01/86/823400186.db2.gz QJIVRCOIUFQXNJ-UHFFFAOYSA-N 0 0 392.839 4.074 20 5 GIBDRN COc1cccc2sc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])nc21 ZINC000460472203 823400642 /nfs/dbraw/zinc/40/06/42/823400642.db2.gz QXNSJHFBFFIZLU-UHFFFAOYSA-N 0 0 377.809 4.427 20 5 GIBDRN CC[C@@H](NC(=O)N1CC[C@]2(C1)CCc1ccccc1O2)c1cccc([N+](=O)[O-])c1 ZINC000460487085 823405348 /nfs/dbraw/zinc/40/53/48/823405348.db2.gz BFILKFXXKHHXGV-KNQAVFIVSA-N 0 0 395.459 4.225 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000122760362 823407402 /nfs/dbraw/zinc/40/74/02/823407402.db2.gz CDPVZZFRVNLDLS-CQSZACIVSA-N 0 0 390.465 4.164 20 5 GIBDRN CC(C)NC(=O)c1ccc(NCc2sccc2Br)c([N+](=O)[O-])c1 ZINC000058555424 823408453 /nfs/dbraw/zinc/40/84/53/823408453.db2.gz DPBUNKWQNZDZPS-UHFFFAOYSA-N 0 0 398.282 4.169 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000572863932 823410951 /nfs/dbraw/zinc/41/09/51/823410951.db2.gz LFZUGRIDBHLFMY-UHFFFAOYSA-N 0 0 385.420 4.199 20 5 GIBDRN COc1ccc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000410203845 823419017 /nfs/dbraw/zinc/41/90/17/823419017.db2.gz NJDFJPVLOUXKAL-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000410191140 823414996 /nfs/dbraw/zinc/41/49/96/823414996.db2.gz LOSSKZFKVXSJJP-JTQLQIEISA-N 0 0 381.215 4.258 20 5 GIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000572913563 823418796 /nfs/dbraw/zinc/41/87/96/823418796.db2.gz GZYUGTHKFSJOOC-SFHVURJKSA-N 0 0 378.787 4.168 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410205811 823419609 /nfs/dbraw/zinc/41/96/09/823419609.db2.gz JXOCNQPXLSYSFY-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN Cc1ccc(CC[C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 ZINC000460526635 823419913 /nfs/dbraw/zinc/41/99/13/823419913.db2.gz VXGLQZARSCGOQZ-MRXNPFEDSA-N 0 0 388.467 4.194 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1OCC(F)F ZINC000573005841 823432457 /nfs/dbraw/zinc/43/24/57/823432457.db2.gz DKRPDRNVGCCOEQ-UHFFFAOYSA-N 0 0 384.766 4.463 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2c3c(cccc31)CC2 ZINC000024719142 819868053 /nfs/dbraw/zinc/86/80/53/819868053.db2.gz CVHGLRDAUMJWDG-ZDUSSCGKSA-N 0 0 391.427 4.294 20 5 GIBDRN COc1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024867118 819887235 /nfs/dbraw/zinc/88/72/35/819887235.db2.gz IBFAZOHAUTVLAR-IZZDOVSWSA-N 0 0 394.349 4.208 20 5 GIBDRN O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024901565 819891523 /nfs/dbraw/zinc/89/15/23/819891523.db2.gz DSSCUUMCVHOVGI-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 ZINC000024942346 819898185 /nfs/dbraw/zinc/89/81/85/819898185.db2.gz NSMDUSLHIFNFDV-UHFFFAOYSA-N 0 0 385.445 4.086 20 5 GIBDRN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000177335360 823438038 /nfs/dbraw/zinc/43/80/38/823438038.db2.gz HBPOCDDTKOBONL-GOSISDBHSA-N 0 0 383.448 4.054 20 5 GIBDRN CC(C)[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCO1 ZINC000573040630 823438223 /nfs/dbraw/zinc/43/82/23/823438223.db2.gz JINXIAOAXDKGQW-NRFANRHFSA-N 0 0 398.459 4.061 20 5 GIBDRN COCc1ccccc1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000025305108 819959160 /nfs/dbraw/zinc/95/91/60/819959160.db2.gz JDBKPACGLKHVLW-UHFFFAOYSA-N 0 0 391.427 4.415 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000025427426 819978588 /nfs/dbraw/zinc/97/85/88/819978588.db2.gz OFTRMBODRMEIHS-UHFFFAOYSA-N 0 0 381.715 4.035 20 5 GIBDRN O=C(CN1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025442747 819981384 /nfs/dbraw/zinc/98/13/84/819981384.db2.gz DGTTZFAFOXONAF-QGZVFWFLSA-N 0 0 377.803 4.163 20 5 GIBDRN O=C(NCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000025472309 819987925 /nfs/dbraw/zinc/98/79/25/819987925.db2.gz YBEVDKFPHVBXHZ-UHFFFAOYSA-N 0 0 375.631 4.002 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025530004 819996932 /nfs/dbraw/zinc/99/69/32/819996932.db2.gz VRIYMKMTANRHEH-LBPRGKRZSA-N 0 0 399.447 4.281 20 5 GIBDRN O=C(Nc1cnns1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000189558596 823443990 /nfs/dbraw/zinc/44/39/90/823443990.db2.gz JRWRIFDACYYYDO-UHFFFAOYSA-N 0 0 376.781 4.144 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2[N+](=O)[O-])C1 ZINC000025590162 820005163 /nfs/dbraw/zinc/00/51/63/820005163.db2.gz GWIXMKZHVNFSMP-QFBILLFUSA-N 0 0 394.475 4.203 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000025611379 820006318 /nfs/dbraw/zinc/00/63/18/820006318.db2.gz FGQVHAMYVGOABO-OAHLLOKOSA-N 0 0 390.823 4.243 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nc3ccccc3n2C(F)F)c1 ZINC000025632310 820008687 /nfs/dbraw/zinc/00/86/87/820008687.db2.gz QCJFNINCQOCDMW-UHFFFAOYSA-N 0 0 393.371 4.419 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000573078753 823444907 /nfs/dbraw/zinc/44/49/07/823444907.db2.gz YGVLLLJMLSYKIX-NSHDSACASA-N 0 0 378.812 4.065 20 5 GIBDRN Cc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000025683411 820014195 /nfs/dbraw/zinc/01/41/95/820014195.db2.gz FAOWCJKUXKTSDQ-UHFFFAOYSA-N 0 0 395.440 4.494 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N(C)[C@H](C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000025715652 820017793 /nfs/dbraw/zinc/01/77/93/820017793.db2.gz QIQLWOJMHQMVIK-LLVKDONJSA-N 0 0 377.491 4.381 20 5 GIBDRN COc1ccc(-c2csc(CNC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000177367608 823446796 /nfs/dbraw/zinc/44/67/96/823446796.db2.gz ANVZFSFIRJYSTD-UHFFFAOYSA-N 0 0 398.440 4.027 20 5 GIBDRN COc1ccc(-c2csc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000177369318 823446965 /nfs/dbraw/zinc/44/69/65/823446965.db2.gz NRIVERDFHDAYMX-UHFFFAOYSA-N 0 0 382.441 4.191 20 5 GIBDRN COc1cc(COC(=O)c2c(C)oc(C)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000025858608 820032207 /nfs/dbraw/zinc/03/22/07/820032207.db2.gz MBBRHHQHSLCLPO-UHFFFAOYSA-N 0 0 385.319 4.080 20 5 GIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000189572149 823447268 /nfs/dbraw/zinc/44/72/68/823447268.db2.gz CNMZIUSMDSNKTE-UHFFFAOYSA-N 0 0 392.459 4.339 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000058771025 823448276 /nfs/dbraw/zinc/44/82/76/823448276.db2.gz GYNZNJRWLUUYIC-MRXNPFEDSA-N 0 0 392.358 4.012 20 5 GIBDRN Cc1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1[N+](=O)[O-] ZINC000058770791 823448311 /nfs/dbraw/zinc/44/83/11/823448311.db2.gz PRLROUNLEGGXSZ-INIZCTEOSA-N 0 0 376.359 4.312 20 5 GIBDRN C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025980879 820046209 /nfs/dbraw/zinc/04/62/09/820046209.db2.gz MXDCZWIPKLIFEI-JTQLQIEISA-N 0 0 392.387 4.459 20 5 GIBDRN COc1cc(CN(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])ccc1SC ZINC000058772532 823449207 /nfs/dbraw/zinc/44/92/07/823449207.db2.gz IYFBBZUAOQXIGX-UHFFFAOYSA-N 0 0 392.502 4.319 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000026113129 820059432 /nfs/dbraw/zinc/05/94/32/820059432.db2.gz SLRYYLGCHIPSIQ-UHFFFAOYSA-N 0 0 396.371 4.013 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000026114548 820059885 /nfs/dbraw/zinc/05/98/85/820059885.db2.gz GEKZFDNTBKLDJX-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000026224382 820071724 /nfs/dbraw/zinc/07/17/24/820071724.db2.gz LVFDATDAEFOCJQ-SECBINFHSA-N 0 0 382.825 4.111 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346415 820086224 /nfs/dbraw/zinc/08/62/24/820086224.db2.gz QGLRROODPNFJSX-LLVKDONJSA-N 0 0 382.247 4.361 20 5 GIBDRN CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347546 820087168 /nfs/dbraw/zinc/08/71/68/820087168.db2.gz YKRSDIHMMPFLNP-KRWDZBQOSA-N 0 0 383.492 4.103 20 5 GIBDRN Cc1ccccc1-c1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000026352766 820087912 /nfs/dbraw/zinc/08/79/12/820087912.db2.gz MEOYCGBQGNPLMH-UHFFFAOYSA-N 0 0 398.444 4.383 20 5 GIBDRN CC(C)c1nnc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000026571011 820115718 /nfs/dbraw/zinc/11/57/18/820115718.db2.gz VPTUHJCOGCVHPC-LBPRGKRZSA-N 0 0 389.481 4.058 20 5 GIBDRN C[C@H](Sc1nnc(SCc2ccccc2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000026591423 820119280 /nfs/dbraw/zinc/11/92/80/820119280.db2.gz BMLWMQNCZABJJH-LBPRGKRZSA-N 0 0 387.490 4.046 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccccc2N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000026783027 820143527 /nfs/dbraw/zinc/14/35/27/820143527.db2.gz WOYXCVLSXXRDPC-UHFFFAOYSA-N 0 0 399.447 4.245 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000123072022 823457298 /nfs/dbraw/zinc/45/72/98/823457298.db2.gz PNAJIKRAMHOLRX-LJQANCHMSA-N 0 0 399.422 4.029 20 5 GIBDRN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2s1 ZINC000026969622 820170116 /nfs/dbraw/zinc/17/01/16/820170116.db2.gz FMTKBAPRWTWVIM-UHFFFAOYSA-N 0 0 391.836 4.151 20 5 GIBDRN C[C@H](c1nc(Cc2nc3ccccc3n2C(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000573165062 823458030 /nfs/dbraw/zinc/45/80/30/823458030.db2.gz OOHQDVJDZCYWKC-NSHDSACASA-N 0 0 399.357 4.465 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc([N+](=O)[O-])ccc1Cl ZINC000026980300 820171982 /nfs/dbraw/zinc/17/19/82/820171982.db2.gz FLKWPVWKBUCOHM-UHFFFAOYSA-N 0 0 383.187 4.315 20 5 GIBDRN CSc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000123085832 823459884 /nfs/dbraw/zinc/45/98/84/823459884.db2.gz XAOYFAKWVZLSSO-HIFRSBDPSA-N 0 0 392.502 4.107 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc2cc(F)c(F)cc2[nH]1 ZINC000027081051 820191247 /nfs/dbraw/zinc/19/12/47/820191247.db2.gz ZMUVJQFZCWXAOE-UHFFFAOYSA-N 0 0 392.387 4.179 20 5 GIBDRN CSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000027162192 820203406 /nfs/dbraw/zinc/20/34/06/820203406.db2.gz KVRLDHRARKBUMC-AWEZNQCLSA-N 0 0 385.489 4.408 20 5 GIBDRN CC(=O)c1ccc(OCc2c(F)ccc(Br)c2F)c([N+](=O)[O-])c1 ZINC000410318599 823461807 /nfs/dbraw/zinc/46/18/07/823461807.db2.gz JQTNEMKSNNKIOY-UHFFFAOYSA-N 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O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000027659543 820271504 /nfs/dbraw/zinc/27/15/04/820271504.db2.gz OPYYJGKYIRCEDD-UHFFFAOYSA-N 0 0 388.836 4.369 20 5 GIBDRN COc1cccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000027660962 820272553 /nfs/dbraw/zinc/27/25/53/820272553.db2.gz KCPYWZGBLIGJDR-UHFFFAOYSA-N 0 0 397.250 4.097 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000027982328 820302098 /nfs/dbraw/zinc/30/20/98/820302098.db2.gz FCOBFNMEFSNRGO-UHFFFAOYSA-N 0 0 394.387 4.070 20 5 GIBDRN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 ZINC000460657829 823468793 /nfs/dbraw/zinc/46/87/93/823468793.db2.gz OOLAJLMXMAPLFI-UZLBHIALSA-N 0 0 377.444 4.202 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000028495772 820340627 /nfs/dbraw/zinc/34/06/27/820340627.db2.gz BSCXPNNKUQOUNK-CYBMUJFWSA-N 0 0 390.823 4.060 20 5 GIBDRN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000123162789 823472220 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ZINC000029657052 820494341 /nfs/dbraw/zinc/49/43/41/820494341.db2.gz AKXDMVLIMYSWNP-UHFFFAOYSA-N 0 0 392.790 4.050 20 5 GIBDRN O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000059057110 823485020 /nfs/dbraw/zinc/48/50/20/823485020.db2.gz BEJIXCFFTLLYGW-UHFFFAOYSA-N 0 0 398.221 4.003 20 5 GIBDRN COc1cc(CN(C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000029810864 820522832 /nfs/dbraw/zinc/52/28/32/820522832.db2.gz UGTNRLVLXSOGQZ-HNNXBMFYSA-N 0 0 378.375 4.324 20 5 GIBDRN COc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c(OC)c1 ZINC000410424289 823493534 /nfs/dbraw/zinc/49/35/34/823493534.db2.gz FOJVNQDXNGLJTI-GFCCVEGCSA-N 0 0 376.434 4.040 20 5 GIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000410424616 823493612 /nfs/dbraw/zinc/49/36/12/823493612.db2.gz XAHVROJDMJUMLP-IWEFOYFVSA-N 0 0 382.416 4.059 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CCCCC1 ZINC000460723892 823495352 /nfs/dbraw/zinc/49/53/52/823495352.db2.gz LWXUBGDVTFIDMI-UHFFFAOYSA-N 0 0 387.484 4.049 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000030284921 820595719 /nfs/dbraw/zinc/59/57/19/820595719.db2.gz CBRPOIRCLGUUEA-INIZCTEOSA-N 0 0 396.428 4.039 20 5 GIBDRN CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000189763887 823490121 /nfs/dbraw/zinc/49/01/21/823490121.db2.gz WEHYACMZZGQVJR-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN C[C@H](Nc1ccccc1OCC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123291572 823491375 /nfs/dbraw/zinc/49/13/75/823491375.db2.gz ZNSGCDHOVWBAOV-JTQLQIEISA-N 0 0 399.781 4.331 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2cccc(C)c2)c1 ZINC000030526894 820632110 /nfs/dbraw/zinc/63/21/10/820632110.db2.gz PLVQRDDPBCOSFE-UHFFFAOYSA-N 0 0 382.445 4.122 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1[nH]c2ccc(Cl)cc2c1Cl ZINC000059830084 823500204 /nfs/dbraw/zinc/50/02/04/823500204.db2.gz XOUPDGAVNAWPDD-UHFFFAOYSA-N 0 0 393.230 4.225 20 5 GIBDRN Cc1c(C(=O)NCc2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000059411304 823495783 /nfs/dbraw/zinc/49/57/83/823495783.db2.gz WAGLXGVWOMOONV-UHFFFAOYSA-N 0 0 376.412 4.412 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000059585087 823497021 /nfs/dbraw/zinc/49/70/21/823497021.db2.gz DCSVXVXKILHOQE-UHFFFAOYSA-N 0 0 389.839 4.256 20 5 GIBDRN Cc1nc(-c2ccc([C@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000030891088 820702278 /nfs/dbraw/zinc/70/22/78/820702278.db2.gz RCBIHIHRFYQPLG-ZDUSSCGKSA-N 0 0 381.457 4.447 20 5 GIBDRN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000059786650 823498837 /nfs/dbraw/zinc/49/88/37/823498837.db2.gz SBSJCYXHGKHQFB-MRXNPFEDSA-N 0 0 376.412 4.346 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000059785076 823498952 /nfs/dbraw/zinc/49/89/52/823498952.db2.gz NWHWTQBRVIBKBH-UHFFFAOYSA-N 0 0 381.819 4.419 20 5 GIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000031001920 820719465 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GIBDRN COc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000031257985 820779732 /nfs/dbraw/zinc/77/97/32/820779732.db2.gz ASTXCMFGVJQHJX-NRFANRHFSA-N 0 0 395.459 4.085 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(-c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000460747874 823503184 /nfs/dbraw/zinc/50/31/84/823503184.db2.gz JNGQPAWIOSTVJM-UHFFFAOYSA-N 0 0 377.404 4.168 20 5 GIBDRN CN(C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C ZINC000059949665 823503543 /nfs/dbraw/zinc/50/35/43/823503543.db2.gz GAXRNISUYWIHSW-CYBMUJFWSA-N 0 0 383.876 4.332 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000031488060 820817184 /nfs/dbraw/zinc/81/71/84/820817184.db2.gz LYWJVXXSYMZUEL-UHFFFAOYSA-N 0 0 378.812 4.281 20 5 GIBDRN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031565776 820827475 /nfs/dbraw/zinc/82/74/75/820827475.db2.gz RVSODCIBUJFUSW-QGZVFWFLSA-N 0 0 395.484 4.204 20 5 GIBDRN Cc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000031701954 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/nfs/dbraw/zinc/51/33/12/821513312.db2.gz CYBSUORWBOLZKN-JTQLQIEISA-N 0 0 384.841 4.120 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000180901060 821524775 /nfs/dbraw/zinc/52/47/75/821524775.db2.gz ASNVIRZTZSCMAY-UHFFFAOYSA-N 0 0 391.387 4.073 20 5 GIBDRN CCc1ccc(C2=CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000180905483 821528431 /nfs/dbraw/zinc/52/84/31/821528431.db2.gz CGSXLLLFLMLPNZ-UHFFFAOYSA-N 0 0 390.443 4.497 20 5 GIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2N1 ZINC000180928764 821543492 /nfs/dbraw/zinc/54/34/92/821543492.db2.gz GZNNLPDWVCAFJN-KUHUBIRLSA-N 0 0 387.823 4.075 20 5 GIBDRN C[S@](=O)c1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180932460 821544971 /nfs/dbraw/zinc/54/49/71/821544971.db2.gz FFEBURJKXPXUIA-ZBLYBZFDSA-N 0 0 380.469 4.211 20 5 GIBDRN Cc1c(NC(=O)CSCc2coc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000044332991 821572337 /nfs/dbraw/zinc/57/23/37/821572337.db2.gz RHAXJYCXOFCVJZ-UHFFFAOYSA-N 0 0 383.429 4.430 20 5 GIBDRN Cn1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000180987700 821576581 /nfs/dbraw/zinc/57/65/81/821576581.db2.gz RZDVTGLVHGAQDT-QGZVFWFLSA-N 0 0 390.365 4.226 20 5 GIBDRN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000044523082 821599161 /nfs/dbraw/zinc/59/91/61/821599161.db2.gz ACAQDPCPJUDXME-ZDUSSCGKSA-N 0 0 383.429 4.121 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044521827 821599305 /nfs/dbraw/zinc/59/93/05/821599305.db2.gz XECAGSPGAHKHKZ-BETUJISGSA-N 0 0 387.461 4.027 20 5 GIBDRN O=C(CCc1ccc(Cl)s1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000044524189 821599955 /nfs/dbraw/zinc/59/99/55/821599955.db2.gz JVBADNNTILEOTH-UHFFFAOYSA-N 0 0 376.768 4.482 20 5 GIBDRN Cc1cccc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000044574254 821612707 /nfs/dbraw/zinc/61/27/07/821612707.db2.gz OHNWDGWPTIEZLX-LBPRGKRZSA-N 0 0 377.238 4.027 20 5 GIBDRN Cn1c(COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)nnc1C1CCC1 ZINC000181056818 821613570 /nfs/dbraw/zinc/61/35/70/821613570.db2.gz AJXDGEGZYADALL-UHFFFAOYSA-N 0 0 378.432 4.161 20 5 GIBDRN Cc1sc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000044578646 821613983 /nfs/dbraw/zinc/61/39/83/821613983.db2.gz HERHAEPJKZFUDW-GOSISDBHSA-N 0 0 395.440 4.075 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC000181058585 821614072 /nfs/dbraw/zinc/61/40/72/821614072.db2.gz MGFJRLXSJGHERJ-HNNXBMFYSA-N 0 0 376.409 4.100 20 5 GIBDRN Cc1sc(C(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000044631397 821629899 /nfs/dbraw/zinc/62/98/99/821629899.db2.gz PDKGSEJVGBKKNG-UHFFFAOYSA-N 0 0 375.269 4.061 20 5 GIBDRN Cn1c(CSc2ccc(Br)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000181123810 821647524 /nfs/dbraw/zinc/64/75/24/821647524.db2.gz WJFJNQVNBQJDFA-UHFFFAOYSA-N 0 0 383.271 4.046 20 5 GIBDRN Cc1c([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000181234994 821710840 /nfs/dbraw/zinc/71/08/40/821710840.db2.gz FYQUEYXGRYDTGJ-KGLIPLIRSA-N 0 0 383.427 4.343 20 5 GIBDRN Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)nc1 ZINC000181486882 821847956 /nfs/dbraw/zinc/84/79/56/821847956.db2.gz ZGLVTAKIHMXDMA-UHFFFAOYSA-N 0 0 388.493 4.031 20 5 GIBDRN COc1cc(CNc2nnc(C3CC3)o2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000181517269 821863610 /nfs/dbraw/zinc/86/36/10/821863610.db2.gz TYIMFTWZZDLYQC-UHFFFAOYSA-N 0 0 396.403 4.055 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000181573120 821885083 /nfs/dbraw/zinc/88/50/83/821885083.db2.gz ZRXRPZYPLLEKCL-CQSZACIVSA-N 0 0 386.473 4.487 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000181576485 821886074 /nfs/dbraw/zinc/88/60/74/821886074.db2.gz YUQQDOIIVBOTGL-MRXNPFEDSA-N 0 0 392.502 4.371 20 5 GIBDRN COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c(Br)c1 ZINC000181695189 821947295 /nfs/dbraw/zinc/94/72/95/821947295.db2.gz AWZZUIHUFYVMOJ-NSHDSACASA-N 0 0 395.253 4.225 20 5 GIBDRN CC(C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccn1 ZINC000181724666 821962456 /nfs/dbraw/zinc/96/24/56/821962456.db2.gz TVLWQMPIYOCLTJ-UHFFFAOYSA-N 0 0 389.477 4.208 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](CCCO)c1ccccc1 ZINC000181786610 821991843 /nfs/dbraw/zinc/99/18/43/821991843.db2.gz XINMIWAAWQSDKJ-OAHLLOKOSA-N 0 0 397.353 4.249 20 5 GIBDRN Cc1nc2cc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000181873503 822022674 /nfs/dbraw/zinc/02/26/74/822022674.db2.gz MWAMOGQOPMYVFQ-UHFFFAOYSA-N 0 0 377.809 4.429 20 5 GIBDRN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000181958260 822046182 /nfs/dbraw/zinc/04/61/82/822046182.db2.gz LRFTWYLBYSBUBX-QMMMGPOBSA-N 0 0 389.355 4.338 20 5 GIBDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181959674 822046339 /nfs/dbraw/zinc/04/63/39/822046339.db2.gz OGMKDYOFZODDGB-OCCSQVGLSA-N 0 0 376.359 4.214 20 5 GIBDRN CC(C)NC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000181959246 822046397 /nfs/dbraw/zinc/04/63/97/822046397.db2.gz PZFJBRNJBNIWEF-UHFFFAOYSA-N 0 0 395.337 4.004 20 5 GIBDRN CCn1c(SCCCC(=O)OC(C)(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000182091550 822090411 /nfs/dbraw/zinc/09/04/11/822090411.db2.gz AQTSCIGYJPYRNP-UHFFFAOYSA-N 0 0 392.481 4.087 20 5 GIBDRN COc1ccccc1-c1nnc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000182107931 822096637 /nfs/dbraw/zinc/09/66/37/822096637.db2.gz YOLXMJIBBFBMDK-UHFFFAOYSA-N 0 0 395.293 4.251 20 5 GIBDRN O=C(N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000182179585 822135219 /nfs/dbraw/zinc/13/52/19/822135219.db2.gz KSJCWWHYRVWILV-OAHLLOKOSA-N 0 0 391.214 4.144 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000182205771 822146737 /nfs/dbraw/zinc/14/67/37/822146737.db2.gz SHTODEUYMXWTHN-QMMMGPOBSA-N 0 0 385.164 4.378 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000182238880 822162153 /nfs/dbraw/zinc/16/21/53/822162153.db2.gz KCZPSDRQGOOXSX-SNVBAGLBSA-N 0 0 384.358 4.021 20 5 GIBDRN C[C@H](C(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182280249 822184429 /nfs/dbraw/zinc/18/44/29/822184429.db2.gz HDGJHPIVPVDKQM-NSHDSACASA-N 0 0 384.329 4.215 20 5 GIBDRN O=C(Nc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182284144 822186695 /nfs/dbraw/zinc/18/66/95/822186695.db2.gz WKEVOVNXPYIQAN-UHFFFAOYSA-N 0 0 388.855 4.034 20 5 GIBDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182335167 822206188 /nfs/dbraw/zinc/20/61/88/822206188.db2.gz FUQVFFXARJTBIQ-IUODEOHRSA-N 0 0 376.359 4.214 20 5 GIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000182370821 822218391 /nfs/dbraw/zinc/21/83/91/822218391.db2.gz JIQJXRURXNECAX-UHFFFAOYSA-N 0 0 382.247 4.340 20 5 GIBDRN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000182382894 822223307 /nfs/dbraw/zinc/22/33/07/822223307.db2.gz JRTLNQHQXUMCLX-UHFFFAOYSA-N 0 0 386.738 4.135 20 5 GIBDRN O=C(Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182492309 822265489 /nfs/dbraw/zinc/26/54/89/822265489.db2.gz IUWAMLXEOUDXGW-UHFFFAOYSA-N 0 0 377.347 4.049 20 5 GIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182497011 822267788 /nfs/dbraw/zinc/26/77/88/822267788.db2.gz OOKGKFQSIUOGSJ-ZBFHGGJFSA-N 0 0 381.215 4.162 20 5 GIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182497047 822267820 /nfs/dbraw/zinc/26/78/20/822267820.db2.gz OOKGKFQSIUOGSJ-HOCLYGCPSA-N 0 0 381.215 4.162 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)c1 ZINC000182504517 822271859 /nfs/dbraw/zinc/27/18/59/822271859.db2.gz KELNGNQYIDGVGF-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1Cc1ccccc1 ZINC000182507784 822273962 /nfs/dbraw/zinc/27/39/62/822273962.db2.gz AHFHFXHYSQBUEL-CQSZACIVSA-N 0 0 376.359 4.044 20 5 GIBDRN Cc1cccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c1 ZINC000178093682 822316303 /nfs/dbraw/zinc/31/63/03/822316303.db2.gz MFTMAWNYLSIUGI-GOSISDBHSA-N 0 0 383.448 4.054 20 5 GIBDRN CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000182618029 822324758 /nfs/dbraw/zinc/32/47/58/822324758.db2.gz SGVLSCMMMHZJGS-LLVKDONJSA-N 0 0 385.898 4.373 20 5 GIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000178187897 822346726 /nfs/dbraw/zinc/34/67/26/822346726.db2.gz SDEWJJQGCCLJAH-UHFFFAOYSA-N 0 0 397.460 4.166 20 5 GIBDRN CC(C)[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2[nH]1 ZINC000182673678 822347144 /nfs/dbraw/zinc/34/71/44/822347144.db2.gz SHQXZLMQKAZRCB-KZULUSFZSA-N 0 0 384.411 4.227 20 5 GIBDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000178238150 822357571 /nfs/dbraw/zinc/35/75/71/822357571.db2.gz NOHFFUSIXAQECK-QGZVFWFLSA-N 0 0 398.462 4.277 20 5 GIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182747517 822361790 /nfs/dbraw/zinc/36/17/90/822361790.db2.gz CGUBHFVQEOPCOZ-CYBMUJFWSA-N 0 0 387.411 4.379 20 5 GIBDRN Cc1cc(F)ccc1[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000453430488 822362016 /nfs/dbraw/zinc/36/20/16/822362016.db2.gz TUMRIYCGKDOHJC-SFHVURJKSA-N 0 0 381.411 4.179 20 5 GIBDRN O=C(NCc1coc(-c2cccs2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178282597 822362960 /nfs/dbraw/zinc/36/29/60/822362960.db2.gz FMNCZAJEHKOUEG-UHFFFAOYSA-N 0 0 398.444 4.186 20 5 GIBDRN CCSCc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000182761056 822363714 /nfs/dbraw/zinc/36/37/14/822363714.db2.gz HLAWZQYLALFDDX-UHFFFAOYSA-N 0 0 383.376 4.097 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC(F)F)c1 ZINC000182761754 822363802 /nfs/dbraw/zinc/36/38/02/822363802.db2.gz UEYRMFZQHLYERF-WDEREUQCSA-N 0 0 382.338 4.316 20 5 GIBDRN CC(C)N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(F)cc1Cl ZINC000182834594 822375198 /nfs/dbraw/zinc/37/51/98/822375198.db2.gz WHJYRGHMBPEKQW-UHFFFAOYSA-N 0 0 380.759 4.171 20 5 GIBDRN CCOc1cc(C(=O)N(Cc2ccco2)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000045467875 822389163 /nfs/dbraw/zinc/38/91/63/822389163.db2.gz GTQCBISANDKPAX-UHFFFAOYSA-N 0 0 388.420 4.180 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccco1)c1ccccc1OC ZINC000178543011 822389852 /nfs/dbraw/zinc/38/98/52/822389852.db2.gz FSCJFZUFADZXOS-LJQANCHMSA-N 0 0 397.387 4.116 20 5 GIBDRN CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000182929082 822394918 /nfs/dbraw/zinc/39/49/18/822394918.db2.gz ABEANJDOXIBZOL-CQSZACIVSA-N 0 0 377.466 4.228 20 5 GIBDRN Cc1csc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CCCC2)n1 ZINC000182932673 822395417 /nfs/dbraw/zinc/39/54/17/822395417.db2.gz JBZIFNWWWMBWNV-UHFFFAOYSA-N 0 0 397.403 4.160 20 5 GIBDRN CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000045622790 822401111 /nfs/dbraw/zinc/40/11/11/822401111.db2.gz VGZOYEUHOZZZGS-UHFFFAOYSA-N 0 0 393.447 4.285 20 5 GIBDRN Cn1cccc1[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182972569 822402380 /nfs/dbraw/zinc/40/23/80/822402380.db2.gz PNIAJHHDAIOOIM-OAHLLOKOSA-N 0 0 393.896 4.433 20 5 GIBDRN CCc1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cn1 ZINC000178746041 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000185251718 822754750 /nfs/dbraw/zinc/75/47/50/822754750.db2.gz QPDWBVRUIXNFOH-MRXNPFEDSA-N 0 0 378.432 4.203 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1OCCOC ZINC000185253839 822755174 /nfs/dbraw/zinc/75/51/74/822755174.db2.gz MOUIECCQBSJJTM-KRWDZBQOSA-N 0 0 386.448 4.136 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000185257756 822755530 /nfs/dbraw/zinc/75/55/30/822755530.db2.gz PMXZHPAEDRSTDD-AWEZNQCLSA-N 0 0 389.839 4.414 20 5 GIBDRN C[C@H](NC(=O)[C@@]1(Cc2cccc(Cl)c2)CCOC1)c1ccccc1[N+](=O)[O-] ZINC000455989892 822762565 /nfs/dbraw/zinc/76/25/65/822762565.db2.gz GTNCNVPFDFQRRD-VBKZILBWSA-N 0 0 388.851 4.075 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 ZINC000185359286 822771087 /nfs/dbraw/zinc/77/10/87/822771087.db2.gz LGFQXYLULOJYFO-MAUKXSAKSA-N 0 0 387.505 4.464 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 ZINC000185359309 822771123 /nfs/dbraw/zinc/77/11/23/822771123.db2.gz LGFQXYLULOJYFO-CRAIPNDOSA-N 0 0 387.505 4.464 20 5 GIBDRN Cc1noc(CSc2ccccc2C(=O)Oc2cccc([N+](=O)[O-])c2C)n1 ZINC000051705723 822775203 /nfs/dbraw/zinc/77/52/03/822775203.db2.gz VCCPJPFBPWCXRG-UHFFFAOYSA-N 0 0 385.401 4.106 20 5 GIBDRN Cc1sc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)nc1-c1ccc(OC(F)F)cc1 ZINC000051871815 822781383 /nfs/dbraw/zinc/78/13/83/822781383.db2.gz MZBWSNOZSFKECY-UHFFFAOYSA-N 0 0 394.359 4.209 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000185425298 822782208 /nfs/dbraw/zinc/78/22/08/822782208.db2.gz JKPQJORGGHYDCL-HGHGUNKESA-N 0 0 382.460 4.152 20 5 GIBDRN COCCc1ccc(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000051897528 822782405 /nfs/dbraw/zinc/78/24/05/822782405.db2.gz CZALCSNVEFLIAQ-UHFFFAOYSA-N 0 0 384.413 4.126 20 5 GIBDRN Cc1cc([C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000174394174 822783331 /nfs/dbraw/zinc/78/33/31/822783331.db2.gz MPIXKUUACVPETH-AWEZNQCLSA-N 0 0 387.436 4.119 20 5 GIBDRN O=C(Nc1ccc(Cl)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174395396 822783579 /nfs/dbraw/zinc/78/35/79/822783579.db2.gz NOVOVJMLXZTEKH-UHFFFAOYSA-N 0 0 393.802 4.463 20 5 GIBDRN C[C@H](c1ccsc1)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000185440415 822784215 /nfs/dbraw/zinc/78/42/15/822784215.db2.gz LNLNTWIWDIEPRG-OAHLLOKOSA-N 0 0 398.488 4.190 20 5 GIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174403466 822785352 /nfs/dbraw/zinc/78/53/52/822785352.db2.gz LRSGJVGDYOIDHT-UKRRQHHQSA-N 0 0 391.518 4.465 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000456167258 822785669 /nfs/dbraw/zinc/78/56/69/822785669.db2.gz PTJCVGSDHXXGCN-KZULUSFZSA-N 0 0 389.477 4.365 20 5 GIBDRN O=[N+]([O-])c1ccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174407051 822786080 /nfs/dbraw/zinc/78/60/80/822786080.db2.gz QUWILUSNRKHYCQ-SFHVURJKSA-N 0 0 376.840 4.096 20 5 GIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174415207 822787024 /nfs/dbraw/zinc/78/70/24/822787024.db2.gz PZFBHRFGUUCKQR-CMPLNLGQSA-N 0 0 387.299 4.104 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000174429445 822788940 /nfs/dbraw/zinc/78/89/40/822788940.db2.gz CZYXPAJIHBLGDY-UHFFFAOYSA-N 0 0 391.383 4.047 20 5 GIBDRN O=C(C1CCCCC1)N1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000052072871 822789664 /nfs/dbraw/zinc/78/96/64/822789664.db2.gz ROHWFRAXRDTFBB-UHFFFAOYSA-N 0 0 382.464 4.126 20 5 GIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456252666 822790369 /nfs/dbraw/zinc/79/03/69/822790369.db2.gz MZBAXKXUXVMYMG-DYESRHJHSA-N 0 0 394.421 4.220 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccccc2CC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000174443769 822790495 /nfs/dbraw/zinc/79/04/95/822790495.db2.gz ZTUUHKXFJJTCHJ-UHFFFAOYSA-N 0 0 398.337 4.359 20 5 GIBDRN CCCN1C(=O)CCc2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000185504027 822791595 /nfs/dbraw/zinc/79/15/95/822791595.db2.gz JTXDSFWJYQEDRL-CYBMUJFWSA-N 0 0 399.422 4.165 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000185509735 822791867 /nfs/dbraw/zinc/79/18/67/822791867.db2.gz FGMKGNWKNZGHOD-AEFFLSMTSA-N 0 0 392.459 4.227 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000185525463 822793415 /nfs/dbraw/zinc/79/34/15/822793415.db2.gz SSMWABJNGVYVHG-ZDUSSCGKSA-N 0 0 394.456 4.158 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](COCc2ccccc2)C1 ZINC000174466018 822794116 /nfs/dbraw/zinc/79/41/16/822794116.db2.gz KOLDIALMKLCDEI-OAHLLOKOSA-N 0 0 389.839 4.319 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000174466540 822794137 /nfs/dbraw/zinc/79/41/37/822794137.db2.gz QSUGQUZVDRMFFR-GFCCVEGCSA-N 0 0 385.811 4.317 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1nccs1)C(C)C ZINC000185540795 822794773 /nfs/dbraw/zinc/79/47/73/822794773.db2.gz QRPWYRDCHABYOC-INIZCTEOSA-N 0 0 375.494 4.100 20 5 GIBDRN CC[C@@H](C)NC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000052358296 822797155 /nfs/dbraw/zinc/79/71/55/822797155.db2.gz YNNIGQIZJYQZNK-CQSZACIVSA-N 0 0 378.432 4.283 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000185573603 822797995 /nfs/dbraw/zinc/79/79/95/822797995.db2.gz PKHYEPRXQWAPSW-KRWDZBQOSA-N 0 0 378.432 4.296 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000174506727 822798372 /nfs/dbraw/zinc/79/83/72/822798372.db2.gz AFSQOEVDCSNHDS-UHFFFAOYSA-N 0 0 384.779 4.391 20 5 GIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000052424400 822798764 /nfs/dbraw/zinc/79/87/64/822798764.db2.gz IJGSNCCLQPLRPM-GFCCVEGCSA-N 0 0 383.429 4.271 20 5 GIBDRN C[C@@H](C(=O)Nc1ccccc1NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000185589537 822799687 /nfs/dbraw/zinc/79/96/87/822799687.db2.gz BXKKQLMGOAZHDA-SNVBAGLBSA-N 0 0 385.317 4.450 20 5 GIBDRN CN(C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000456338219 822800000 /nfs/dbraw/zinc/80/00/00/822800000.db2.gz NHIVBFNGVFTHQX-UHFFFAOYSA-N 0 0 384.436 4.238 20 5 GIBDRN O=C([C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000185604587 822801273 /nfs/dbraw/zinc/80/12/73/822801273.db2.gz LIQCSVMBOKYJPL-KGLIPLIRSA-N 0 0 376.334 4.095 20 5 GIBDRN COc1cc(CNCc2ncc(C)s2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000174573702 822806871 /nfs/dbraw/zinc/80/68/71/822806871.db2.gz LCSYTMLNXLBQHK-UHFFFAOYSA-N 0 0 399.472 4.237 20 5 GIBDRN CC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000052770644 822809989 /nfs/dbraw/zinc/80/99/89/822809989.db2.gz XCCYMTRZGOBYCF-UHFFFAOYSA-N 0 0 396.428 4.118 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(CCC)o1 ZINC000456514538 822811945 /nfs/dbraw/zinc/81/19/45/822811945.db2.gz HLRRDTXVDVGQRS-UHFFFAOYSA-N 0 0 377.466 4.358 20 5 GIBDRN Cc1c(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000185717958 822813842 /nfs/dbraw/zinc/81/38/42/822813842.db2.gz PLPVUAHXWRENME-KRWDZBQOSA-N 0 0 393.802 4.301 20 5 GIBDRN CCn1c(SCc2noc(C(C)C)n2)nc2cc3ccccc3cc2c1=O ZINC000052890148 822814427 /nfs/dbraw/zinc/81/44/27/822814427.db2.gz ZZVPMSMUYKTMJW-UHFFFAOYSA-N 0 0 380.473 4.368 20 5 GIBDRN COc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000052927162 822815814 /nfs/dbraw/zinc/81/58/14/822815814.db2.gz HRJWYKSXQTVNCK-AWEZNQCLSA-N 0 0 392.415 4.424 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000052958842 822817043 /nfs/dbraw/zinc/81/70/43/822817043.db2.gz JNHXNWYZKKUXBO-HUUCEWRRSA-N 0 0 391.431 4.049 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3sccc3[C@@H]2CC)cc1OC ZINC000052971588 822817285 /nfs/dbraw/zinc/81/72/85/822817285.db2.gz MSOGCQREYBMWAG-AWEZNQCLSA-N 0 0 390.461 4.213 20 5 GIBDRN Cc1cccc(C(=O)OCc2ccccc2NC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000174661398 822820150 /nfs/dbraw/zinc/82/01/50/822820150.db2.gz MOSDPQMMIVZEBP-UHFFFAOYSA-N 0 0 380.356 4.106 20 5 GIBDRN CC(=O)c1sc(NC(=O)c2c(C)cccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000185778816 822820331 /nfs/dbraw/zinc/82/03/31/822820331.db2.gz FHXRMKXQHKXMNA-UHFFFAOYSA-N 0 0 381.413 4.482 20 5 GIBDRN COc1ccc2ccccc2c1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000174677782 822822188 /nfs/dbraw/zinc/82/21/88/822822188.db2.gz JNYVJZHBGKXHMW-UHFFFAOYSA-N 0 0 393.399 4.325 20 5 GIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000053113931 822822288 /nfs/dbraw/zinc/82/22/88/822822288.db2.gz XMPGRQQNCXDGNT-UHFFFAOYSA-N 0 0 392.337 4.296 20 5 GIBDRN O=C(CCSc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000053120887 822822624 /nfs/dbraw/zinc/82/26/24/822822624.db2.gz HZOUWZZTTJXOTP-UHFFFAOYSA-N 0 0 395.278 4.156 20 5 GIBDRN O=C(NCCC1CC1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174683389 822822735 /nfs/dbraw/zinc/82/27/35/822822735.db2.gz DMHWLVPIJPAABT-UHFFFAOYSA-N 0 0 387.823 4.030 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@]2(CCOC2)C1 ZINC000456710568 822825705 /nfs/dbraw/zinc/82/57/05/822825705.db2.gz HXAHRCDBSIUTGT-NRFANRHFSA-N 0 0 382.416 4.030 20 5 GIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Br)cc2C(C)C)c1[N+](=O)[O-] ZINC000185895402 822830880 /nfs/dbraw/zinc/83/08/80/822830880.db2.gz VVLFKUJYPSZDSQ-UHFFFAOYSA-N 0 0 381.230 4.019 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053456617 822835768 /nfs/dbraw/zinc/83/57/68/822835768.db2.gz BECVGJZJJBBAOP-HLLBOEOZSA-N 0 0 382.464 4.471 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)NCc2ccsc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053510018 822838009 /nfs/dbraw/zinc/83/80/09/822838009.db2.gz UPJXLAPCXZTPTM-CYBMUJFWSA-N 0 0 382.445 4.154 20 5 GIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456852887 822838181 /nfs/dbraw/zinc/83/81/81/822838181.db2.gz XQAYHKSROLTDIU-AWEZNQCLSA-N 0 0 398.312 4.452 20 5 GIBDRN CNC(=O)c1ccc(Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000053549195 822840612 /nfs/dbraw/zinc/84/06/12/822840612.db2.gz TVJCZOWYJNNIIU-UHFFFAOYSA-N 0 0 385.601 4.163 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)c1 ZINC000456924104 822842092 /nfs/dbraw/zinc/84/20/92/822842092.db2.gz OXBOSOHNAWDKDN-KOMQPUFPSA-N 0 0 379.416 4.103 20 5 GIBDRN CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186003259 822842985 /nfs/dbraw/zinc/84/29/85/822842985.db2.gz RVFBWQRVQLLYQD-UHFFFAOYSA-N 0 0 383.782 4.258 20 5 GIBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C(F)(F)F)cs1 ZINC000174855407 822846792 /nfs/dbraw/zinc/84/67/92/822846792.db2.gz HIBUSVYJYNZERI-SSDOTTSWSA-N 0 0 379.385 4.321 20 5 GIBDRN C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000053769017 822847342 /nfs/dbraw/zinc/84/73/42/822847342.db2.gz AUYNYNYZGLZSLE-HNNXBMFYSA-N 0 0 393.399 4.038 20 5 GIBDRN COC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000457035645 822847372 /nfs/dbraw/zinc/84/73/72/822847372.db2.gz LFMDRMYXVWBKMS-INIZCTEOSA-N 0 0 384.432 4.276 20 5 GIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCSCC1 ZINC000053802541 822848952 /nfs/dbraw/zinc/84/89/52/822848952.db2.gz AECWPJQCWOENCP-UHFFFAOYSA-N 0 0 391.880 4.049 20 5 GIBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1cccc([N+](=O)[O-])c1C ZINC000053837560 822849640 /nfs/dbraw/zinc/84/96/40/822849640.db2.gz XGXJYWUEQKVFEV-UHFFFAOYSA-N 0 0 394.431 4.032 20 5 GIBDRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000053868733 822851243 /nfs/dbraw/zinc/85/12/43/822851243.db2.gz BPEOAYAKFSLHQL-NSHDSACASA-N 0 0 395.278 4.154 20 5 GIBDRN Cc1ccccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005430 822856888 /nfs/dbraw/zinc/85/68/88/822856888.db2.gz AKBNPVWQLUTOLR-KRWDZBQOSA-N 0 0 385.420 4.108 20 5 GIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000186170603 822857800 /nfs/dbraw/zinc/85/78/00/822857800.db2.gz MHQXKKCEYRDRCQ-CHWSQXEVSA-N 0 0 384.411 4.084 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)c1[N+](=O)[O-] ZINC000186171671 822857872 /nfs/dbraw/zinc/85/78/72/822857872.db2.gz BIWGLOOUQOTGDR-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN CC(C)COc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000054096752 822862185 /nfs/dbraw/zinc/86/21/85/822862185.db2.gz PWDPVRYTXBNMRT-UHFFFAOYSA-N 0 0 394.431 4.282 20 5 GIBDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000186224359 822862296 /nfs/dbraw/zinc/86/22/96/822862296.db2.gz DSUITIZEPSRPOL-JOCHJYFZSA-N 0 0 390.443 4.018 20 5 GIBDRN COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C)cc1 ZINC000054149289 822864238 /nfs/dbraw/zinc/86/42/38/822864238.db2.gz HPXRGQTWAUBZAP-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000054149948 822864274 /nfs/dbraw/zinc/86/42/74/822864274.db2.gz XTOKFUJSLBGRLQ-UHFFFAOYSA-N 0 0 375.356 4.173 20 5 GIBDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054167721 822864977 /nfs/dbraw/zinc/86/49/77/822864977.db2.gz PEKZTLMHMQUAKV-UHFFFAOYSA-N 0 0 399.447 4.062 20 5 GIBDRN CSc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000186280772 822869722 /nfs/dbraw/zinc/86/97/22/822869722.db2.gz KJTOJTSQQHGSOR-DNVCBOLYSA-N 0 0 386.473 4.214 20 5 GIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000569047302 822873369 /nfs/dbraw/zinc/87/33/69/822873369.db2.gz BCASQNIKRGVDPW-UHFFFAOYSA-N 0 0 397.200 4.456 20 5 GIBDRN C[C@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000569066902 822876093 /nfs/dbraw/zinc/87/60/93/822876093.db2.gz GOXRGKDCFXUYNC-AWEZNQCLSA-N 0 0 395.390 4.341 20 5 GIBDRN CC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 ZINC000175084798 822879593 /nfs/dbraw/zinc/87/95/93/822879593.db2.gz CEYZWZHTTJRGMF-UHFFFAOYSA-N 0 0 399.413 4.136 20 5 GIBDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175084059 822879610 /nfs/dbraw/zinc/87/96/10/822879610.db2.gz YILALLDABZRHRE-QGZVFWFLSA-N 0 0 377.828 4.144 20 5 GIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n(C(C)(C)C)n1 ZINC000569146629 822883951 /nfs/dbraw/zinc/88/39/51/822883951.db2.gz VFXWQIASPALERD-UHFFFAOYSA-N 0 0 395.257 4.178 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000054479138 822889786 /nfs/dbraw/zinc/88/97/86/822889786.db2.gz JQVDMIDHWFMCPC-KGLIPLIRSA-N 0 0 384.436 4.006 20 5 GIBDRN CSCc1nc2ccccc2n1CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000175142728 822890767 /nfs/dbraw/zinc/89/07/67/822890767.db2.gz KSAXOEZMASFATG-CYBMUJFWSA-N 0 0 385.445 4.112 20 5 GIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000175147786 822891930 /nfs/dbraw/zinc/89/19/30/822891930.db2.gz SBSNHFGTALAVTL-JLHYYAGUSA-N 0 0 382.416 4.131 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCCC(=O)c1ccccc1 ZINC000054549345 822894917 /nfs/dbraw/zinc/89/49/17/822894917.db2.gz KKKUBFSQQLLPCR-UHFFFAOYSA-N 0 0 399.446 4.361 20 5 GIBDRN CSc1cccc(C(=O)NCCCc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000186449484 822897470 /nfs/dbraw/zinc/89/74/70/822897470.db2.gz YKTFOGDGEHVMBC-UHFFFAOYSA-N 0 0 391.518 4.015 20 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822914586 /nfs/dbraw/zinc/91/45/86/822914586.db2.gz NUGJPLRCJWLCFV-UHFFFAOYSA-N 0 0 398.850 4.105 20 5 GIBDRN CCOC1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CCCC1 ZINC000569480729 822927928 /nfs/dbraw/zinc/92/79/28/822927928.db2.gz WGKCNAMEFQZMMY-UHFFFAOYSA-N 0 0 375.450 4.315 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000175300723 822929124 /nfs/dbraw/zinc/92/91/24/822929124.db2.gz ZTNBDGDYUQMEEI-UHFFFAOYSA-N 0 0 378.450 4.079 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000569495993 822929874 /nfs/dbraw/zinc/92/98/74/822929874.db2.gz CKKRYZPYGYRPIG-AWEZNQCLSA-N 0 0 389.477 4.153 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C ZINC000175306818 822930607 /nfs/dbraw/zinc/93/06/07/822930607.db2.gz ROPBUKGEUJRGQC-UHFFFAOYSA-N 0 0 392.839 4.362 20 5 GIBDRN C[C@H]1C[C@@H]1CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513856 822932524 /nfs/dbraw/zinc/93/25/24/822932524.db2.gz SPRDZHWLYGABIZ-JKSUJKDBSA-N 0 0 399.516 4.014 20 5 GIBDRN CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516620 822933220 /nfs/dbraw/zinc/93/32/20/822933220.db2.gz SGUZZHLDNWBEDX-PZJWPPBQSA-N 0 0 394.475 4.173 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(C)c3ncccc23)cc1OC ZINC000175324608 822935602 /nfs/dbraw/zinc/93/56/02/822935602.db2.gz ZJXMJRMOBIDFFZ-UHFFFAOYSA-N 0 0 395.415 4.419 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000457925860 822937790 /nfs/dbraw/zinc/93/77/90/822937790.db2.gz IZXTXEUUCXJLIR-LBPRGKRZSA-N 0 0 381.354 4.150 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000175354799 822943637 /nfs/dbraw/zinc/94/36/37/822943637.db2.gz UPCJAOOYMNHEQN-UHFFFAOYSA-N 0 0 383.448 4.155 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CCC(F)(F)F)CC1CC1 ZINC000175357028 822944515 /nfs/dbraw/zinc/94/45/15/822944515.db2.gz NOIQEKPVPPHAMR-UHFFFAOYSA-N 0 0 399.413 4.002 20 5 GIBDRN Cc1cccc(OCc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C)c1 ZINC000569626594 822946695 /nfs/dbraw/zinc/94/66/95/822946695.db2.gz RDYYJPJTGXMQQA-UHFFFAOYSA-N 0 0 395.463 4.026 20 5 GIBDRN CSc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569679523 822954396 /nfs/dbraw/zinc/95/43/96/822954396.db2.gz MCDYEQRMSWJGFQ-UHFFFAOYSA-N 0 0 388.342 4.405 20 5 GIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000175393993 822957676 /nfs/dbraw/zinc/95/76/76/822957676.db2.gz DHHCPLYUBMDBDL-NEPJUHHUSA-N 0 0 387.299 4.104 20 5 GIBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000055443408 822963320 /nfs/dbraw/zinc/96/33/20/822963320.db2.gz ZDUOAHCANRSELW-UHFFFAOYSA-N 0 0 391.431 4.027 20 5 GIBDRN C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000055465495 822966839 /nfs/dbraw/zinc/96/68/39/822966839.db2.gz JERQMSJWPSRAQU-LBPRGKRZSA-N 0 0 385.420 4.277 20 5 GIBDRN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000055466716 822967111 /nfs/dbraw/zinc/96/71/11/822967111.db2.gz BWSIZUQRDCSWIC-CQSZACIVSA-N 0 0 376.416 4.149 20 5 GIBDRN CSc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000186856744 822968769 /nfs/dbraw/zinc/96/87/69/822968769.db2.gz ULMOWSZDBKLAGY-UHFFFAOYSA-N 0 0 399.497 4.413 20 5 GIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000055487788 822969582 /nfs/dbraw/zinc/96/95/82/822969582.db2.gz JBNGWVCRSWXJIR-LJQANCHMSA-N 0 0 390.443 4.018 20 5 GIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000569815894 822971955 /nfs/dbraw/zinc/97/19/55/822971955.db2.gz GBOURPZKQXNPOL-UHFFFAOYSA-N 0 0 388.423 4.141 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000458254562 822974244 /nfs/dbraw/zinc/97/42/44/822974244.db2.gz JJKGMUZLWLAHAS-DEICHXMPSA-N 0 0 380.448 4.081 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000186886661 822974783 /nfs/dbraw/zinc/97/47/83/822974783.db2.gz XUSZTMVPNYXSBX-RHSMWYFYSA-N 0 0 386.473 4.214 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055542135 822976299 /nfs/dbraw/zinc/97/62/99/822976299.db2.gz HNDKLYHQWKTERJ-SECBINFHSA-N 0 0 386.351 4.455 20 5 GIBDRN CC(C)(NC(=O)NCCCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000175469721 822976674 /nfs/dbraw/zinc/97/66/74/822976674.db2.gz JRECEHILIOYKLC-UHFFFAOYSA-N 0 0 385.464 4.126 20 5 GIBDRN CC(C)(NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000175485510 822980601 /nfs/dbraw/zinc/98/06/01/822980601.db2.gz NTEMSJXWBRITSQ-MOPGFXCFSA-N 0 0 383.448 4.049 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186924891 822980969 /nfs/dbraw/zinc/98/09/69/822980969.db2.gz KCGYYGKMFOLEFF-OAQYLSRUSA-N 0 0 398.484 4.367 20 5 GIBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055593748 822984437 /nfs/dbraw/zinc/98/44/37/822984437.db2.gz VABTWHWUKQCKRA-HUUCEWRRSA-N 0 0 395.459 4.274 20 5 GIBDRN CSC(C)(C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 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4.315 20 5 GIBDRN O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000412920370 823693155 /nfs/dbraw/zinc/69/31/55/823693155.db2.gz UWNYZOGLIRWXQB-CABCVRRESA-N 0 0 386.473 4.027 20 5 GIBDRN CC(=O)Nc1cccc(OCCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000461768150 823693551 /nfs/dbraw/zinc/69/35/51/823693551.db2.gz NXRVBCZNEYHYKE-UHFFFAOYSA-N 0 0 397.353 4.371 20 5 GIBDRN Cc1csc([C@@H]2CN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CCO2)n1 ZINC000461773171 823693865 /nfs/dbraw/zinc/69/38/65/823693865.db2.gz FHIKYUGHZCYMLI-AWEZNQCLSA-N 0 0 387.383 4.265 20 5 GIBDRN Cc1cc(Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c(F)cc1[N+](=O)[O-] ZINC000461773617 823694158 /nfs/dbraw/zinc/69/41/58/823694158.db2.gz FYQTWDOYJCGNIV-CYBMUJFWSA-N 0 0 383.383 4.182 20 5 GIBDRN Cc1cc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c(F)cc1[N+](=O)[O-] ZINC000461781021 823694661 /nfs/dbraw/zinc/69/46/61/823694661.db2.gz ZKLPFLJFLYOXOV-UHFFFAOYSA-N 0 0 378.350 4.420 20 5 GIBDRN Cc1cc(N2CCC(CC(=O)N3CCCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461785915 823695141 /nfs/dbraw/zinc/69/51/41/823695141.db2.gz PCHLTMUFZUBOAR-UHFFFAOYSA-N 0 0 399.413 4.151 20 5 GIBDRN CC1CCN(c2ccc(C(=O)Nc3cnc(C(C)(C)C)nc3)cc2[N+](=O)[O-])CC1 ZINC000063819448 823699518 /nfs/dbraw/zinc/69/95/18/823699518.db2.gz CSEOYMVITLCGJW-UHFFFAOYSA-N 0 0 397.479 4.171 20 5 GIBDRN CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461811658 823699816 /nfs/dbraw/zinc/69/98/16/823699816.db2.gz LRFUCRGHEDGPSM-ATZDWAIDSA-N 0 0 399.495 4.047 20 5 GIBDRN CC(C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCCCO1 ZINC000461814140 823700350 /nfs/dbraw/zinc/70/03/50/823700350.db2.gz XXOLGDFLMRKADZ-LJQANCHMSA-N 0 0 399.495 4.048 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)n1 ZINC000191573836 823702649 /nfs/dbraw/zinc/70/26/49/823702649.db2.gz YINAVGOESVDTGI-HNNXBMFYSA-N 0 0 390.852 4.046 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](Cc2ccccc2)C1 ZINC000125751536 823704157 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4.240 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000125789366 823711200 /nfs/dbraw/zinc/71/12/00/823711200.db2.gz GCFXUOQZCQCVID-GFCCVEGCSA-N 0 0 383.429 4.463 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000063950170 823718780 /nfs/dbraw/zinc/71/87/80/823718780.db2.gz SIZTYOKXAIAAKC-UHFFFAOYSA-N 0 0 391.383 4.108 20 5 GIBDRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191649882 823724031 /nfs/dbraw/zinc/72/40/31/823724031.db2.gz FHCDVZZGVGDLGW-MRXNPFEDSA-N 0 0 388.468 4.117 20 5 GIBDRN C[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1 ZINC000461859759 823724103 /nfs/dbraw/zinc/72/41/03/823724103.db2.gz UOIIGYXXXOMSRV-SZVBFZGTSA-N 0 0 399.495 4.047 20 5 GIBDRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461863980 823726556 /nfs/dbraw/zinc/72/65/56/823726556.db2.gz VWEMQNNADPPICU-RBUKOAKNSA-N 0 0 399.495 4.047 20 5 GIBDRN COc1ccc(/C=C/c2ccc(Oc3ncc([N+](=O)[O-])cc3C(N)=O)cc2)cc1 ZINC000461866859 823728291 /nfs/dbraw/zinc/72/82/91/823728291.db2.gz MRFDQRSREGSRPF-NSCUHMNNSA-N 0 0 391.383 4.060 20 5 GIBDRN COc1cc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000125858716 823730824 /nfs/dbraw/zinc/73/08/24/823730824.db2.gz FOCIQLKEAXJEBR-WOJGMQOQSA-N 0 0 378.384 4.302 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000413232848 823734738 /nfs/dbraw/zinc/73/47/38/823734738.db2.gz HJMYVLUQEHPPSI-MDASCCDHSA-N 0 0 395.459 4.174 20 5 GIBDRN CC[C@@H]1CCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461879062 823735475 /nfs/dbraw/zinc/73/54/75/823735475.db2.gz STFSLOXWOMAXIM-IEBWSBKVSA-N 0 0 399.495 4.191 20 5 GIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c2ncccc12)C1CCN(CC(F)(F)F)CC1 ZINC000413237838 823735606 /nfs/dbraw/zinc/73/56/06/823735606.db2.gz CTAUPFBZYNJQBZ-GFCCVEGCSA-N 0 0 382.386 4.218 20 5 GIBDRN Cn1c2c(nc1[C@H]1CCCN1c1ccc([N+](=O)[O-])c3ncccc13)CCCC2 ZINC000413245576 823737766 /nfs/dbraw/zinc/73/77/66/823737766.db2.gz SGIHHHUYUVBKKL-LJQANCHMSA-N 0 0 377.448 4.097 20 5 GIBDRN CCN(CC)C(=O)CCC1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413249850 823738648 /nfs/dbraw/zinc/73/86/48/823738648.db2.gz UBPVVXVLHFRKPY-UHFFFAOYSA-N 0 0 384.480 4.008 20 5 GIBDRN Cc1cc(N2CCC[C@](CO)(Cc3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000461885421 823738531 /nfs/dbraw/zinc/73/85/31/823738531.db2.gz UUVSJNNFPPVANY-QHCPKHFHSA-N 0 0 391.471 4.273 20 5 GIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413274602 823743344 /nfs/dbraw/zinc/74/33/44/823743344.db2.gz CXKJERRNOANYMQ-RBUKOAKNSA-N 0 0 395.459 4.031 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000413279883 823744277 /nfs/dbraw/zinc/74/42/77/823744277.db2.gz JLCGEQVTMLPNMG-UHFFFAOYSA-N 0 0 386.326 4.180 20 5 GIBDRN Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000163780025 823748196 /nfs/dbraw/zinc/74/81/96/823748196.db2.gz UPQQYACUXJMHPD-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN CO[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000191741074 823753173 /nfs/dbraw/zinc/75/31/73/823753173.db2.gz SBCQFAKNHKECPE-GOEBONIOSA-N 0 0 390.823 4.338 20 5 GIBDRN CC1(C)C[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000413331386 823754225 /nfs/dbraw/zinc/75/42/25/823754225.db2.gz HGJBAYOXVUNNSS-VIFPVBQESA-N 0 0 383.317 4.261 20 5 GIBDRN Cc1cc(Br)oc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163892581 823758140 /nfs/dbraw/zinc/75/81/40/823758140.db2.gz PIIDERWTEDRMLV-UHFFFAOYSA-N 0 0 379.210 4.064 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@H]1c1ccc(Br)cn1)CCN2 ZINC000413372781 823762599 /nfs/dbraw/zinc/76/25/99/823762599.db2.gz JSJGUEOEJPKHCM-HNNXBMFYSA-N 0 0 389.253 4.062 20 5 GIBDRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000574552560 823763000 /nfs/dbraw/zinc/76/30/00/823763000.db2.gz XACWYDWTPVVGHE-UHFFFAOYSA-N 0 0 388.836 4.352 20 5 GIBDRN CCO[C@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C12CCOCC2 ZINC000461932794 823763358 /nfs/dbraw/zinc/76/33/58/823763358.db2.gz CXNFDAQZLHWAEQ-CVEARBPZSA-N 0 0 388.386 4.308 20 5 GIBDRN Cc1cc(N[C@@H](CCO)c2ccccc2Br)c(F)cc1[N+](=O)[O-] ZINC000461937827 823765530 /nfs/dbraw/zinc/76/55/30/823765530.db2.gz QUUZLSFCYKARIG-AWEZNQCLSA-N 0 0 383.217 4.340 20 5 GIBDRN COc1ccc(C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000413398149 823768263 /nfs/dbraw/zinc/76/82/63/823768263.db2.gz GHSGIFNHBUIBFK-HNNXBMFYSA-N 0 0 383.448 4.321 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1C(=O)NC(C)C ZINC000413404651 823769962 /nfs/dbraw/zinc/76/99/62/823769962.db2.gz OYEHGYDZBLOGLR-UHFFFAOYSA-N 0 0 399.447 4.081 20 5 GIBDRN CCOC(=O)c1nnc(Sc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000461954365 823770265 /nfs/dbraw/zinc/77/02/65/823770265.db2.gz DAMBXXRWESLZGH-UHFFFAOYSA-N 0 0 393.368 4.101 20 5 GIBDRN O=[N+]([O-])c1cccc2c(N3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)ccnc21 ZINC000413417326 823773260 /nfs/dbraw/zinc/77/32/60/823773260.db2.gz ZCGVULUSMSXTLD-INIZCTEOSA-N 0 0 395.381 4.328 20 5 GIBDRN Cc1cc(NCCCc2nc3cccnc3[nH]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461964217 823774219 /nfs/dbraw/zinc/77/42/19/823774219.db2.gz IXPBUMCRQBKEDT-UHFFFAOYSA-N 0 0 379.342 4.238 20 5 GIBDRN Cc1cc(N(C)Cc2ccc([S@@](C)=O)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461969144 823776639 /nfs/dbraw/zinc/77/66/39/823776639.db2.gz WMZRCILNEDRHEX-AREMUKBSSA-N 0 0 386.395 4.296 20 5 GIBDRN Cc1cc(N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(F)cc1[N+](=O)[O-] ZINC000461972778 823777641 /nfs/dbraw/zinc/77/76/41/823777641.db2.gz KRTTYBCKGYGQPT-GFCCVEGCSA-N 0 0 391.830 4.409 20 5 GIBDRN O=C([C@H]1C[C@@]1(F)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000413437885 823777943 /nfs/dbraw/zinc/77/79/43/823777943.db2.gz OPSPXZLYUPZVDR-CRAIPNDOSA-N 0 0 396.340 4.371 20 5 GIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000191817706 823780629 /nfs/dbraw/zinc/78/06/29/823780629.db2.gz OOUKJNDFDCVKNX-LLVKDONJSA-N 0 0 378.812 4.223 20 5 GIBDRN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000126075826 823780769 /nfs/dbraw/zinc/78/07/69/823780769.db2.gz XDUIJYHFXGOWFC-MRXNPFEDSA-N 0 0 389.839 4.090 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000574612227 823781444 /nfs/dbraw/zinc/78/14/44/823781444.db2.gz UCCNLAOMWUCDJP-SFHVURJKSA-N 0 0 389.839 4.416 20 5 GIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000191824751 823784974 /nfs/dbraw/zinc/78/49/74/823784974.db2.gz QMOVHTDWABIXFA-GFCCVEGCSA-N 0 0 378.812 4.223 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(F)c2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000574627114 823785133 /nfs/dbraw/zinc/78/51/33/823785133.db2.gz QAXYMHAFLUXLLO-UHFFFAOYSA-N 0 0 390.701 4.250 20 5 GIBDRN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC(F)(F)F ZINC000413501582 823787934 /nfs/dbraw/zinc/78/79/34/823787934.db2.gz PKJMVLVQYWXCNY-QMMMGPOBSA-N 0 0 387.280 4.001 20 5 GIBDRN 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LAHBWEFBCFXOFE-SFHVURJKSA-N 0 0 397.431 4.021 20 5 GIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000413640516 823807733 /nfs/dbraw/zinc/80/77/33/823807733.db2.gz PZSBQFNFSBMETK-UXLLHSPISA-N 0 0 385.489 4.253 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000064419075 823814560 /nfs/dbraw/zinc/81/45/60/823814560.db2.gz RIQACANKXXAFBH-NXEZZACHSA-N 0 0 384.766 4.171 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCSc2ccccc21 ZINC000064420669 823815417 /nfs/dbraw/zinc/81/54/17/823815417.db2.gz FAIKPPKAEAWTCD-SMDDNHRTSA-N 0 0 392.864 4.369 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000064420176 823815551 /nfs/dbraw/zinc/81/55/51/823815551.db2.gz YXAOFNCMPPEGKR-ZFWWWQNUSA-N 0 0 388.851 4.252 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)ccc1[N+](=O)[O-] ZINC000413703539 823821495 /nfs/dbraw/zinc/82/14/95/823821495.db2.gz UOBUBQYAOUAOCQ-CQSZACIVSA-N 0 0 380.400 4.103 20 5 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NC(=O)c1ccc(CN(Cc2ccccc2Cl)C2CCCC2)c([N+](=O)[O-])c1 ZINC000064807748 823889321 /nfs/dbraw/zinc/88/93/21/823889321.db2.gz LXOKQXPLQCMCSW-UHFFFAOYSA-N 0 0 387.867 4.292 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1cccc2ccccc21 ZINC000064821439 823891955 /nfs/dbraw/zinc/89/19/55/823891955.db2.gz GPFAIOSJNOQIEE-UHFFFAOYSA-N 0 0 380.469 4.340 20 5 GIBDRN COc1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000064832310 823896028 /nfs/dbraw/zinc/89/60/28/823896028.db2.gz ZWCIEESEBYSJAG-UHFFFAOYSA-N 0 0 375.812 4.109 20 5 GIBDRN CC(C)(C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000575035291 823896120 /nfs/dbraw/zinc/89/61/20/823896120.db2.gz ZKTHBKRRQIONAT-MRXNPFEDSA-N 0 0 394.393 4.410 20 5 GIBDRN C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc([N+](=O)[O-])c1 ZINC000575070614 823904572 /nfs/dbraw/zinc/90/45/72/823904572.db2.gz DOVCUDBJGUIVIS-GFCCVEGCSA-N 0 0 395.440 4.395 20 5 GIBDRN O=C(NCc1ccc(Cl)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064907800 823909892 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O=C(NCCc1ccccc1C(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056164783 823093995 /nfs/dbraw/zinc/09/39/95/823093995.db2.gz RJAINZJQZLRSNU-UHFFFAOYSA-N 0 0 377.322 4.067 20 5 GIBDRN C[C@H](c1ccco1)N(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000056183531 823097831 /nfs/dbraw/zinc/09/78/31/823097831.db2.gz NLSOVYZPLGRLEN-MRXNPFEDSA-N 0 0 386.451 4.500 20 5 GIBDRN CC(C)Oc1ncc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000120970775 823095280 /nfs/dbraw/zinc/09/52/80/823095280.db2.gz FQPBTPMBOILCLJ-UHFFFAOYSA-N 0 0 375.812 4.023 20 5 GIBDRN C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056187760 823099368 /nfs/dbraw/zinc/09/93/68/823099368.db2.gz USPIWLWDCVNBPQ-OAHLLOKOSA-N 0 0 392.415 4.008 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000056193734 823100144 /nfs/dbraw/zinc/10/01/44/823100144.db2.gz RYPCPCZYBHIZOZ-RDJZCZTQSA-N 0 0 378.494 4.127 20 5 GIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000458885262 823101747 /nfs/dbraw/zinc/10/17/47/823101747.db2.gz FXDGAOZCSDPCIY-IFXJQAMLSA-N 0 0 393.447 4.387 20 5 GIBDRN CCc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000121016975 823103618 /nfs/dbraw/zinc/10/36/18/823103618.db2.gz OPJTWRYOIHUOJL-UHFFFAOYSA-N 0 0 380.404 4.318 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000458918874 823105996 /nfs/dbraw/zinc/10/59/96/823105996.db2.gz OZRCWNKZZHDRPE-MRXNPFEDSA-N 0 0 385.489 4.404 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056221996 823106167 /nfs/dbraw/zinc/10/61/67/823106167.db2.gz WSZYXWUEDFFNBQ-CYBMUJFWSA-N 0 0 381.457 4.447 20 5 GIBDRN C[C@H](OCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000121059066 823110849 /nfs/dbraw/zinc/11/08/49/823110849.db2.gz RYPKSDUTRXOUSM-HNNXBMFYSA-N 0 0 379.416 4.041 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000176069087 823111671 /nfs/dbraw/zinc/11/16/71/823111671.db2.gz CHIMOPIPFNVFAG-WBVHZDCISA-N 0 0 389.452 4.270 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056251693 823113079 /nfs/dbraw/zinc/11/30/79/823113079.db2.gz YLWCEJHSKSRPDP-QGZVFWFLSA-N 0 0 389.839 4.080 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000176086498 823116095 /nfs/dbraw/zinc/11/60/95/823116095.db2.gz UWVVUSYNVIZQEO-RYGJVYDSSA-N 0 0 383.448 4.184 20 5 GIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000187704459 823116490 /nfs/dbraw/zinc/11/64/90/823116490.db2.gz YASORUPYTMOLGQ-OAHLLOKOSA-N 0 0 389.333 4.219 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000121094994 823117631 /nfs/dbraw/zinc/11/76/31/823117631.db2.gz SWYFKNKAWBZSIK-CQSZACIVSA-N 0 0 395.415 4.116 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OC(F)F ZINC000056287814 823121489 /nfs/dbraw/zinc/12/14/89/823121489.db2.gz ZNIMORNTDICQBN-UHFFFAOYSA-N 0 0 394.374 4.256 20 5 GIBDRN CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000056287891 823121790 /nfs/dbraw/zinc/12/17/90/823121790.db2.gz TYEHCBVBXWWIRO-UHFFFAOYSA-N 0 0 398.463 4.176 20 5 GIBDRN CCOc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1CO ZINC000121161630 823130051 /nfs/dbraw/zinc/13/00/51/823130051.db2.gz QUECJKRSJRVOMJ-UHFFFAOYSA-N 0 0 385.445 4.221 20 5 GIBDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 ZINC000056353677 823135307 /nfs/dbraw/zinc/13/53/07/823135307.db2.gz NDLGFTCABQHBHH-UHFFFAOYSA-N 0 0 398.419 4.010 20 5 GIBDRN CC(C)c1ccc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000187798099 823135416 /nfs/dbraw/zinc/13/54/16/823135416.db2.gz XFSSLCJNSFBOBW-GOSISDBHSA-N 0 0 390.443 4.359 20 5 GIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187783322 823132043 /nfs/dbraw/zinc/13/20/43/823132043.db2.gz BRPSYCSWLQXNIA-UHFFFAOYSA-N 0 0 397.475 4.436 20 5 GIBDRN O=[N+]([O-])c1ccc2nc(N[C@@H]3c4ccccc4CC34CCOCC4)ccc2c1 ZINC000571100529 823132403 /nfs/dbraw/zinc/13/24/03/823132403.db2.gz CCLNPDHDIPWAQW-OAQYLSRUSA-N 0 0 375.428 4.071 20 5 GIBDRN CCOc1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121176102 823132611 /nfs/dbraw/zinc/13/26/11/823132611.db2.gz MUHLZPJRALBFMF-UHFFFAOYSA-N 0 0 379.210 4.033 20 5 GIBDRN CC(C)c1ccc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000187812013 823138581 /nfs/dbraw/zinc/13/85/81/823138581.db2.gz PKHDPSFWWVMEIE-UHFFFAOYSA-N 0 0 387.383 4.466 20 5 GIBDRN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1COc2cc(F)c(Br)cc21 ZINC000571178749 823144517 /nfs/dbraw/zinc/14/45/17/823144517.db2.gz OKIOLDSPCSXXOJ-GJZGRUSLSA-N 0 0 393.212 4.207 20 5 GIBDRN COc1ccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000176200680 823151127 /nfs/dbraw/zinc/15/11/27/823151127.db2.gz MKDYQBDQDZTWOD-SFHVURJKSA-N 0 0 396.443 4.261 20 5 GIBDRN O=[N+]([O-])c1ccc(CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000571222448 823151239 /nfs/dbraw/zinc/15/12/39/823151239.db2.gz FJLSXSLTQKSUJU-SAABIXHNSA-N 0 0 390.867 4.260 20 5 GIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000176189549 823148441 /nfs/dbraw/zinc/14/84/41/823148441.db2.gz CYSBBRTWFNQUJB-LBPRGKRZSA-N 0 0 384.823 4.233 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000187879214 823151439 /nfs/dbraw/zinc/15/14/39/823151439.db2.gz ITQMBERFTIIKJN-UHFFFAOYSA-N 0 0 391.427 4.181 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000176204415 823152180 /nfs/dbraw/zinc/15/21/80/823152180.db2.gz JCPXZEYBFTXJAS-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(F)c(F)c1F ZINC000121291993 823156416 /nfs/dbraw/zinc/15/64/16/823156416.db2.gz ZKBXPWDKTHSVRG-UHFFFAOYSA-N 0 0 380.200 4.005 20 5 GIBDRN COc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000056461207 823154591 /nfs/dbraw/zinc/15/45/91/823154591.db2.gz GLYGTEWMZDOXLK-UHFFFAOYSA-N 0 0 397.362 4.491 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1coc(-c3cccc(Cl)c3)n1)CCO2 ZINC000571248854 823155315 /nfs/dbraw/zinc/15/53/15/823155315.db2.gz YOBOLCBCKIEVHW-UHFFFAOYSA-N 0 0 385.807 4.298 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccsc1Cl ZINC000187904396 823155831 /nfs/dbraw/zinc/15/58/31/823155831.db2.gz NKUQPCJLPYEMFJ-UHFFFAOYSA-N 0 0 375.631 4.253 20 5 GIBDRN O=C(CCSc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000121289204 823156039 /nfs/dbraw/zinc/15/60/39/823156039.db2.gz JKPXGCCVLLFFIB-UHFFFAOYSA-N 0 0 386.351 4.456 20 5 GIBDRN CC(C)(CO)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000459292312 823156980 /nfs/dbraw/zinc/15/69/80/823156980.db2.gz BCRDOMNJWZEDTF-CQSZACIVSA-N 0 0 383.857 4.191 20 5 GIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176242182 823160958 /nfs/dbraw/zinc/16/09/58/823160958.db2.gz YBUCJECAMNVFKB-PIGZYNQJSA-N 0 0 380.803 4.202 20 5 GIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264426 823167193 /nfs/dbraw/zinc/16/71/93/823167193.db2.gz WFAHWMMQSCILJB-LJZMDLFKSA-N 0 0 395.868 4.211 20 5 GIBDRN CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000571363048 823171283 /nfs/dbraw/zinc/17/12/83/823171283.db2.gz JOEJMNKASCCOLX-RTGRKSDTSA-N 0 0 378.388 4.029 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000176328933 823183462 /nfs/dbraw/zinc/18/34/62/823183462.db2.gz VHXMIOPNWANEIV-UHFFFAOYSA-N 0 0 394.435 4.098 20 5 GIBDRN C[C@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000176335423 823185403 /nfs/dbraw/zinc/18/54/03/823185403.db2.gz AFOWKIQDKBUDLJ-HOTGVXAUSA-N 0 0 382.464 4.316 20 5 GIBDRN C[C@@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000176335467 823185410 /nfs/dbraw/zinc/18/54/10/823185410.db2.gz AFOWKIQDKBUDLJ-HZPDHXFCSA-N 0 0 382.464 4.316 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000176335440 823185465 /nfs/dbraw/zinc/18/54/65/823185465.db2.gz AFOWKIQDKBUDLJ-CVEARBPZSA-N 0 0 382.464 4.316 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)cc1[N+](=O)[O-] ZINC000188142146 823192814 /nfs/dbraw/zinc/19/28/14/823192814.db2.gz MZGIWGHOYGNTRA-UHFFFAOYSA-N 0 0 394.435 4.205 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc(F)ccc1F ZINC000176452220 823210498 /nfs/dbraw/zinc/21/04/98/823210498.db2.gz UXGWXINPMIVAGE-UHFFFAOYSA-N 0 0 377.391 4.036 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000121592230 823212472 /nfs/dbraw/zinc/21/24/72/823212472.db2.gz ISHXWLXJOIGMDX-CYBMUJFWSA-N 0 0 391.221 4.089 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000176454508 823211119 /nfs/dbraw/zinc/21/11/19/823211119.db2.gz BPFFVWSROPQECW-AWEZNQCLSA-N 0 0 384.436 4.086 20 5 GIBDRN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121593283 823212789 /nfs/dbraw/zinc/21/27/89/823212789.db2.gz UXXFYZLCUMMCQD-YJBOKZPZSA-N 0 0 387.386 4.103 20 5 GIBDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000571678992 823217942 /nfs/dbraw/zinc/21/79/42/823217942.db2.gz FANQRCVYNYXCFC-SNVBAGLBSA-N 0 0 381.201 4.296 20 5 GIBDRN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000188319626 823219088 /nfs/dbraw/zinc/21/90/88/823219088.db2.gz CERBNSDKIQIKFF-JTQLQIEISA-N 0 0 389.260 4.082 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)F)ccc1Cl ZINC000571718149 823224114 /nfs/dbraw/zinc/22/41/14/823224114.db2.gz DVWFKRLECIIJCJ-UHFFFAOYSA-N 0 0 376.768 4.295 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000409481761 823231075 /nfs/dbraw/zinc/23/10/75/823231075.db2.gz CGUXHSBHBXKQQP-LLVKDONJSA-N 0 0 382.338 4.042 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176548696 823234863 /nfs/dbraw/zinc/23/48/63/823234863.db2.gz RSBXNJZBINPEEY-UHFFFAOYSA-N 0 0 378.388 4.391 20 5 GIBDRN CC(C)c1cccc2c1CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C2 ZINC000571805950 823237015 /nfs/dbraw/zinc/23/70/15/823237015.db2.gz FEGMLNAUXRPBEJ-UHFFFAOYSA-N 0 0 377.448 4.076 20 5 GIBDRN CCOc1cc(NC(=O)NCCc2cccc(C)c2)c([N+](=O)[O-])cc1OCC ZINC000409530306 823242870 /nfs/dbraw/zinc/24/28/70/823242870.db2.gz QCMJVZSWOLMCBZ-UHFFFAOYSA-N 0 0 387.436 4.065 20 5 GIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000056993055 823238547 /nfs/dbraw/zinc/23/85/47/823238547.db2.gz CPEOLRBQXIZYNR-UHFFFAOYSA-N 0 0 388.383 4.302 20 5 GIBDRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000057014502 823239898 /nfs/dbraw/zinc/23/98/98/823239898.db2.gz BDJWBFFQXKSKGZ-LBPRGKRZSA-N 0 0 392.408 4.252 20 5 GIBDRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000057014408 823239995 /nfs/dbraw/zinc/23/99/95/823239995.db2.gz ZTDHVEWSZFKBNP-CQSZACIVSA-N 0 0 388.445 4.254 20 5 GIBDRN Cc1c(C(=O)N(C)Cc2cccc(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121769475 823247119 /nfs/dbraw/zinc/24/71/19/823247119.db2.gz MKQRZNBEJIXEGR-UHFFFAOYSA-N 0 0 377.784 4.045 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)c4cccc([N+](=O)[O-])c4C)CC3)oc21 ZINC000188486681 823249189 /nfs/dbraw/zinc/24/91/89/823249189.db2.gz DNGAECYZYLQNQU-UHFFFAOYSA-N 0 0 379.416 4.373 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc([N+](=O)[O-])cc4F)CC3)c2c1 ZINC000057143397 823254436 /nfs/dbraw/zinc/25/44/36/823254436.db2.gz POKVSYCVTBNSJJ-UHFFFAOYSA-N 0 0 395.390 4.153 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)Cc4cccc([N+](=O)[O-])c4C)CC3)oc21 ZINC000188517820 823255171 /nfs/dbraw/zinc/25/51/71/823255171.db2.gz IGKREGLOXMPRHF-UHFFFAOYSA-N 0 0 393.443 4.302 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000001981635 817378566 /nfs/dbraw/zinc/37/85/66/817378566.db2.gz BPNAHCARGWMBMO-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000001984530 817379458 /nfs/dbraw/zinc/37/94/58/817379458.db2.gz WYXIQPCMHRHOTD-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001984532 817379631 /nfs/dbraw/zinc/37/96/31/817379631.db2.gz QQKRQLICYUBMGW-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1noc(C)c1[C@H](C)C(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000176661517 823260360 /nfs/dbraw/zinc/26/03/60/823260360.db2.gz BTANEVQVOZUVDI-ZDUSSCGKSA-N 0 0 380.400 4.500 20 5 GIBDRN Cc1noc(C)c1[C@@H](C)C(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000176661507 823260365 /nfs/dbraw/zinc/26/03/65/823260365.db2.gz BTANEVQVOZUVDI-CYBMUJFWSA-N 0 0 380.400 4.500 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1[N+](=O)[O-] ZINC000571965811 823261653 /nfs/dbraw/zinc/26/16/53/823261653.db2.gz AYUIBSBCTACQOL-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CC1(C)Cc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000003204224 817421812 /nfs/dbraw/zinc/42/18/12/817421812.db2.gz YOWPEFRSZIQZPN-UHFFFAOYSA-N 0 0 379.825 4.112 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176668614 823262819 /nfs/dbraw/zinc/26/28/19/823262819.db2.gz UWFKWTLZPLHVBC-UHFFFAOYSA-N 0 0 393.403 4.186 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003369688 817443283 /nfs/dbraw/zinc/44/32/83/817443283.db2.gz OUZHJKQWBYNVIN-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000003488241 817467930 /nfs/dbraw/zinc/46/79/30/817467930.db2.gz FVSHTAVEDQGVIJ-UHFFFAOYSA-N 0 0 375.380 4.491 20 5 GIBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1Cl ZINC000003529698 817479084 /nfs/dbraw/zinc/47/90/84/817479084.db2.gz UXRRUVHFVRTVJZ-UHFFFAOYSA-N 0 0 384.171 4.125 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccccc1Br ZINC000004219521 817510472 /nfs/dbraw/zinc/51/04/72/817510472.db2.gz NMAQXEOONARLNU-UHFFFAOYSA-N 0 0 382.235 4.193 20 5 GIBDRN COc1cc(N[C@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000409635294 823268432 /nfs/dbraw/zinc/26/84/32/823268432.db2.gz KIWXDEBRCYIZMB-ZDUSSCGKSA-N 0 0 379.210 4.302 20 5 GIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188599164 823269960 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4.446 20 5 GIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005044566 817548212 /nfs/dbraw/zinc/54/82/12/817548212.db2.gz ADJFWFKLTNKRCE-OAHLLOKOSA-N 0 0 390.395 4.446 20 5 GIBDRN Cc1cc(OC(F)F)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)s1 ZINC000176702431 823271606 /nfs/dbraw/zinc/27/16/06/823271606.db2.gz HZJNQKHJTRPBEL-UHFFFAOYSA-N 0 0 379.344 4.367 20 5 GIBDRN CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2N1 ZINC000176702048 823271635 /nfs/dbraw/zinc/27/16/35/823271635.db2.gz MYDPLCLTNLZBOC-GOSISDBHSA-N 0 0 394.475 4.292 20 5 GIBDRN O=C(COC(=O)c1cc2c(s1)CCCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000005302843 817571422 /nfs/dbraw/zinc/57/14/22/817571422.db2.gz CFVZMBHVUVEEDP-UHFFFAOYSA-N 0 0 388.445 4.111 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc4c(c3)OCCCO4)o2)cc1 ZINC000005365663 817578263 /nfs/dbraw/zinc/57/82/63/817578263.db2.gz BTWOWEYFUFZAKE-UHFFFAOYSA-N 0 0 385.401 4.098 20 5 GIBDRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176707073 823273404 /nfs/dbraw/zinc/27/34/04/823273404.db2.gz CIILOZWXMFUEEO-UHFFFAOYSA-N 0 0 376.294 4.118 20 5 GIBDRN CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000005435615 817583734 /nfs/dbraw/zinc/58/37/34/817583734.db2.gz AJSBPUDWOXVZHM-LLVKDONJSA-N 0 0 376.434 4.101 20 5 GIBDRN C[C@H](OC(=O)c1ccc2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005457459 817585247 /nfs/dbraw/zinc/58/52/47/817585247.db2.gz HGGLMOFXMORLQK-LBPRGKRZSA-N 0 0 390.355 4.111 20 5 GIBDRN C[C@H](OC(=O)CCCOc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005471448 817587506 /nfs/dbraw/zinc/58/75/06/817587506.db2.gz DSJHCSHVYPPWND-AWEZNQCLSA-N 0 0 397.387 4.108 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005484844 817588648 /nfs/dbraw/zinc/58/86/48/817588648.db2.gz ZROLNILTHZNIFM-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@@H](OC(=O)CSc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005505654 817589749 /nfs/dbraw/zinc/58/97/49/817589749.db2.gz 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COc1ccc(OC(=O)COc2ccccc2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000014785600 818265376 /nfs/dbraw/zinc/26/53/76/818265376.db2.gz OLHWPNBDTFIFAF-UHFFFAOYSA-N 0 0 393.395 4.179 20 5 GIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000572342313 823324671 /nfs/dbraw/zinc/32/46/71/823324671.db2.gz OQYVKOFHGMGSGT-ZBFHGGJFSA-N 0 0 377.444 4.162 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000014932756 818277631 /nfs/dbraw/zinc/27/76/31/818277631.db2.gz TWVBCUYPSCCHRN-HNNXBMFYSA-N 0 0 393.443 4.216 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2[N+](=O)[O-])C1 ZINC000015004524 818282098 /nfs/dbraw/zinc/28/20/98/818282098.db2.gz GPSRQIRROJVYEC-LBPRGKRZSA-N 0 0 375.375 4.362 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000015143241 818295045 /nfs/dbraw/zinc/29/50/45/818295045.db2.gz MIJSOSJEWQSUPS-KRWDZBQOSA-N 0 0 395.381 4.099 20 5 GIBDRN Cc1csc([C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000460233889 823326037 /nfs/dbraw/zinc/32/60/37/823326037.db2.gz HALBRUIBLCXUEZ-BONVTDFDSA-N 0 0 395.868 4.048 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2ccc(SC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000015287973 818306179 /nfs/dbraw/zinc/30/61/79/818306179.db2.gz GPOQIZUOIXMYDO-UHFFFAOYSA-N 0 0 397.403 4.359 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000015339158 818314161 /nfs/dbraw/zinc/31/41/61/818314161.db2.gz ZKKHYKMDCOWZQL-UHFFFAOYSA-N 0 0 396.390 4.291 20 5 GIBDRN Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000015335815 818314312 /nfs/dbraw/zinc/31/43/12/818314312.db2.gz GUBYDYQFBUPUHY-UHFFFAOYSA-N 0 0 395.742 4.343 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1OC(F)F ZINC000460240454 823328070 /nfs/dbraw/zinc/32/80/70/823328070.db2.gz VRWLCSPWFOGPMO-UHFFFAOYSA-N 0 0 385.754 4.214 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccccc2)c(-c2cccs2)c1 ZINC000015359191 818316773 /nfs/dbraw/zinc/31/67/73/818316773.db2.gz XMDVGEKARJHPFW-UHFFFAOYSA-N 0 0 375.427 4.232 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2)c(-c2cccs2)c1 ZINC000015359174 818316922 /nfs/dbraw/zinc/31/69/22/818316922.db2.gz HIXJIAMTTPCOOR-UHFFFAOYSA-N 0 0 379.390 4.230 20 5 GIBDRN Cc1cccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000015395331 818320675 /nfs/dbraw/zinc/32/06/75/818320675.db2.gz HUSFUJQPIWDDFQ-UHFFFAOYSA-N 0 0 382.441 4.299 20 5 GIBDRN CCOc1ccccc1-c1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000176934597 823328483 /nfs/dbraw/zinc/32/84/83/823328483.db2.gz HBQOHBMHLYMVDQ-UHFFFAOYSA-N 0 0 398.400 4.477 20 5 GIBDRN Cc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000015410179 818322185 /nfs/dbraw/zinc/32/21/85/818322185.db2.gz FZMAINAUODSQOW-UHFFFAOYSA-N 0 0 379.210 4.073 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000015421874 818324672 /nfs/dbraw/zinc/32/46/72/818324672.db2.gz AIDJFHMKKMDDCR-UHFFFAOYSA-N 0 0 396.447 4.042 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2nc(C3CC3)oc2c1 ZINC000122261860 823329276 /nfs/dbraw/zinc/32/92/76/823329276.db2.gz FVQNCCNRWYOYBK-UHFFFAOYSA-N 0 0 376.372 4.276 20 5 GIBDRN O=C(CCSCc1ccc(C(F)(F)F)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000409862592 823329397 /nfs/dbraw/zinc/32/93/97/823329397.db2.gz QXMMXTRDFQILCD-UHFFFAOYSA-N 0 0 385.367 4.271 20 5 GIBDRN O=C(NCCOc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000015555186 818338351 /nfs/dbraw/zinc/33/83/51/818338351.db2.gz DEFVWJHBBYJNLY-UHFFFAOYSA-N 0 0 391.427 4.016 20 5 GIBDRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OC ZINC000015592293 818343866 /nfs/dbraw/zinc/34/38/66/818343866.db2.gz PPZWTQVBBWXEOM-UHFFFAOYSA-N 0 0 382.775 4.437 20 5 GIBDRN COc1cccc(C(=O)CCCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000572385366 823330687 /nfs/dbraw/zinc/33/06/87/823330687.db2.gz IDGRMNMUBCTRRU-HNNXBMFYSA-N 0 0 384.432 4.142 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000015698954 818359991 /nfs/dbraw/zinc/35/99/91/818359991.db2.gz AVMVYTJVEIYNIE-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000015697495 818360041 /nfs/dbraw/zinc/36/00/41/818360041.db2.gz IMMNTPRHKZEKOA-CQSZACIVSA-N 0 0 397.456 4.233 20 5 GIBDRN O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015759459 818366545 /nfs/dbraw/zinc/36/65/45/818366545.db2.gz OEEPNNJYCAUYEU-UHFFFAOYSA-N 0 0 398.221 4.003 20 5 GIBDRN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000015798275 818368933 /nfs/dbraw/zinc/36/89/33/818368933.db2.gz AVLUMMDCQWKVFV-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(-c2ccsc2C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000015824054 818373133 /nfs/dbraw/zinc/37/31/33/818373133.db2.gz YJYGOXNWHRJYCH-UHFFFAOYSA-N 0 0 381.457 4.474 20 5 GIBDRN O=C1[C@@H](Nc2ccc(CCC(F)(F)F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000176955114 823333524 /nfs/dbraw/zinc/33/35/24/823333524.db2.gz YFYUYPWDHUWXRV-KRWDZBQOSA-N 0 0 393.365 4.307 20 5 GIBDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188957948 823333981 /nfs/dbraw/zinc/33/39/81/823333981.db2.gz LWMRJQAFFQLOGH-RDTXWAMCSA-N 0 0 382.416 4.118 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000176956678 823334142 /nfs/dbraw/zinc/33/41/42/823334142.db2.gz HWWPQPAHFHVYMJ-SWLSCSKDSA-N 0 0 395.868 4.430 20 5 GIBDRN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188957972 823334126 /nfs/dbraw/zinc/33/41/26/823334126.db2.gz LWMRJQAFFQLOGH-KBXCAEBGSA-N 0 0 382.416 4.118 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 ZINC000016197136 818405659 /nfs/dbraw/zinc/40/56/59/818405659.db2.gz ZZJCCBPIISECSW-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1ccco1 ZINC000016235293 818408134 /nfs/dbraw/zinc/40/81/34/818408134.db2.gz XVLCSCXHCOLNFI-UHFFFAOYSA-N 0 0 397.456 4.322 20 5 GIBDRN O=C(NCc1ccccc1OC1CCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122304288 823335202 /nfs/dbraw/zinc/33/52/02/823335202.db2.gz GFFCNYSBRCSPNG-UHFFFAOYSA-N 0 0 395.459 4.400 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCc1ccc(F)cc1 ZINC000016458777 818445117 /nfs/dbraw/zinc/44/51/17/818445117.db2.gz HVAXHQBQRXXYPP-UHFFFAOYSA-N 0 0 394.402 4.020 20 5 GIBDRN C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016537444 818451957 /nfs/dbraw/zinc/45/19/57/818451957.db2.gz KIUCOOAYSDUROH-CYBMUJFWSA-N 0 0 380.356 4.039 20 5 GIBDRN COc1ccc(C(=O)OCC(=O)c2sc3ccccc3c2C)cc1[N+](=O)[O-] ZINC000016583529 818455911 /nfs/dbraw/zinc/45/59/11/818455911.db2.gz MMKSEVWYNPCXEE-UHFFFAOYSA-N 0 0 385.397 4.166 20 5 GIBDRN CCN(CC)C(=O)c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000176970742 823338237 /nfs/dbraw/zinc/33/82/37/823338237.db2.gz SBRCUECGWJPXMP-UHFFFAOYSA-N 0 0 398.463 4.134 20 5 GIBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cccc(Cl)c1 ZINC000016632048 818461206 /nfs/dbraw/zinc/46/12/06/818461206.db2.gz QIFJXTWPGTWBFX-LLVKDONJSA-N 0 0 382.247 4.361 20 5 GIBDRN CNc1ccc(C(=O)OCC(=O)c2sc3ccccc3c2C)cc1[N+](=O)[O-] ZINC000016696512 818464447 /nfs/dbraw/zinc/46/44/47/818464447.db2.gz DGTZBLXJDRUWEL-UHFFFAOYSA-N 0 0 384.413 4.199 20 5 GIBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000016735997 818471771 /nfs/dbraw/zinc/47/17/71/818471771.db2.gz GXRSPJSOAIYNOE-CQSZACIVSA-N 0 0 398.893 4.072 20 5 GIBDRN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000017301808 818506556 /nfs/dbraw/zinc/50/65/56/818506556.db2.gz KNMYAXUOCFXMEC-UHFFFAOYSA-N 0 0 377.356 4.319 20 5 GIBDRN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000409909209 823341630 /nfs/dbraw/zinc/34/16/30/823341630.db2.gz IKIUPVIUOUWKPO-FVMIAERFSA-N 0 0 392.814 4.342 20 5 GIBDRN Cc1c(-c2ccccc2)sc2ncn(Cc3ccccc3[N+](=O)[O-])c(=O)c12 ZINC000017480573 818516639 /nfs/dbraw/zinc/51/66/39/818516639.db2.gz RYAGQZVOGKVKBN-UHFFFAOYSA-N 0 0 377.425 4.390 20 5 GIBDRN Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017671335 818523421 /nfs/dbraw/zinc/52/34/21/818523421.db2.gz YWTDHLZZBKXMTI-KGLIPLIRSA-N 0 0 397.387 4.025 20 5 GIBDRN CCCNc1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000017886980 818531355 /nfs/dbraw/zinc/53/13/55/818531355.db2.gz ZHDZZCFKNRACOE-SECBINFHSA-N 0 0 392.466 4.172 20 5 GIBDRN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017904782 818531880 /nfs/dbraw/zinc/53/18/80/818531880.db2.gz ANSKLJSHBICYPF-UHFFFAOYSA-N 0 0 397.456 4.083 20 5 GIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc2ccccc21 ZINC000018077240 818543749 /nfs/dbraw/zinc/54/37/49/818543749.db2.gz HWXMHMNISXBPNP-UHFFFAOYSA-N 0 0 391.383 4.075 20 5 GIBDRN CCCCn1ncc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1C ZINC000122365638 823344792 /nfs/dbraw/zinc/34/47/92/823344792.db2.gz IWJARWRZQZIDIZ-OAHLLOKOSA-N 0 0 399.495 4.388 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(-c2cccs2)on1 ZINC000018362272 818566518 /nfs/dbraw/zinc/56/65/18/818566518.db2.gz 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CCCC[C@@H](CC)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000019676613 818597780 /nfs/dbraw/zinc/59/77/80/818597780.db2.gz PZFBYMWUPGNOPK-QGZVFWFLSA-N 0 0 386.496 4.403 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000019681366 818598105 /nfs/dbraw/zinc/59/81/05/818598105.db2.gz KYYZBOYYCKYJBP-QGZVFWFLSA-N 0 0 394.880 4.255 20 5 GIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 ZINC000020001046 818608170 /nfs/dbraw/zinc/60/81/70/818608170.db2.gz AIZVPEAWSKMCRL-UHFFFAOYSA-N 0 0 394.499 4.109 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000020666786 818628656 /nfs/dbraw/zinc/62/86/56/818628656.db2.gz AHPZIKOYSYGODX-UHFFFAOYSA-N 0 0 389.418 4.118 20 5 GIBDRN CN(C(=O)C1(c2ccccc2Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000189078101 823353363 /nfs/dbraw/zinc/35/33/63/823353363.db2.gz JWWSPJXSAJHWIU-UHFFFAOYSA-N 0 0 375.222 4.052 20 5 GIBDRN CCc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])sc2c1 ZINC000021083599 818651517 /nfs/dbraw/zinc/65/15/17/818651517.db2.gz HPWYOYXPEPZZRQ-UHFFFAOYSA-N 0 0 387.417 4.036 20 5 GIBDRN CN1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])c2cc(Cl)ccc21 ZINC000460317241 823351109 /nfs/dbraw/zinc/35/11/09/823351109.db2.gz MTMJXKYLQBKTNG-UHFFFAOYSA-N 0 0 380.231 4.388 20 5 GIBDRN CCCn1c2ccccc2nc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000021597637 818711829 /nfs/dbraw/zinc/71/18/29/818711829.db2.gz TWCXDXBAMSMOQZ-CYBMUJFWSA-N 0 0 384.461 4.474 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000409981146 823361640 /nfs/dbraw/zinc/36/16/40/823361640.db2.gz AEKJQIYPIPBPJG-HNNXBMFYSA-N 0 0 379.416 4.071 20 5 GIBDRN CC(C)(NC(=O)Nc1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000177043512 823357906 /nfs/dbraw/zinc/35/79/06/823357906.db2.gz JTNWOCUUMBSFBI-UHFFFAOYSA-N 0 0 389.462 4.232 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1ccccn1)c1ccccc1 ZINC000021819346 818739407 /nfs/dbraw/zinc/73/94/07/818739407.db2.gz RTTXOATZEKYJQE-LJQANCHMSA-N 0 0 396.834 4.113 20 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818811127 /nfs/dbraw/zinc/81/11/27/818811127.db2.gz VITCMYZGZBTJBZ-VIFPVBQESA-N 0 0 384.219 4.349 20 5 GIBDRN COc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000022465548 818811143 /nfs/dbraw/zinc/81/11/43/818811143.db2.gz ASSZBFUEJZITII-SECBINFHSA-N 0 0 384.219 4.349 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000022470812 818811568 /nfs/dbraw/zinc/81/15/68/818811568.db2.gz KXPFVDYLXGEOFQ-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022470758 818811653 /nfs/dbraw/zinc/81/16/53/818811653.db2.gz OULABYCLEGHVBS-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000022471205 818811670 /nfs/dbraw/zinc/81/16/70/818811670.db2.gz KBLCTKYEBZTSSV-HUUCEWRRSA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000022495153 818817780 /nfs/dbraw/zinc/81/77/80/818817780.db2.gz JCTJCKOXDHKUNV-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000022545547 818823087 /nfs/dbraw/zinc/82/30/87/818823087.db2.gz VAQOSIPWDLEUBH-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN O=C(NCC1(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000572588978 823366163 /nfs/dbraw/zinc/36/61/63/823366163.db2.gz APUFJNPZEYPHMV-UHFFFAOYSA-N 0 0 393.365 4.279 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000022736694 818853863 /nfs/dbraw/zinc/85/38/63/818853863.db2.gz MAZRZTJYPXRIAJ-KBPBESRZSA-N 0 0 396.399 4.072 20 5 GIBDRN O=C(c1ccccc1)c1ccc(Sc2nnc(NC3CC3)s2)c([N+](=O)[O-])c1 ZINC000022809282 818862879 /nfs/dbraw/zinc/86/28/79/818862879.db2.gz HVSKEEVOAZVEJT-UHFFFAOYSA-N 0 0 398.469 4.403 20 5 GIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000058272964 823373256 /nfs/dbraw/zinc/37/32/56/823373256.db2.gz FKDMLBSLPIGMDI-UHFFFAOYSA-N 0 0 398.463 4.329 20 5 GIBDRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000058233975 823370338 /nfs/dbraw/zinc/37/03/38/823370338.db2.gz IHBFNZFHXCSJHV-HNNXBMFYSA-N 0 0 389.411 4.338 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000023344319 818924896 /nfs/dbraw/zinc/92/48/96/818924896.db2.gz YMQUKIHFRGWQHJ-SNVBAGLBSA-N 0 0 382.825 4.111 20 5 GIBDRN Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000058278234 823374304 /nfs/dbraw/zinc/37/43/04/823374304.db2.gz HBDWSLHTBATMQL-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023386942 818932314 /nfs/dbraw/zinc/93/23/14/818932314.db2.gz YVSFGWCCRZVZSY-KBPBESRZSA-N 0 0 385.386 4.046 20 5 GIBDRN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023386938 818932402 /nfs/dbraw/zinc/93/24/02/818932402.db2.gz YVSFGWCCRZVZSY-UONOGXRCSA-N 0 0 385.386 4.046 20 5 GIBDRN Cc1cc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc2ccccc12 ZINC000023409930 818935528 /nfs/dbraw/zinc/93/55/28/818935528.db2.gz QQEZMCBWYFKTHD-UHFFFAOYSA-N 0 0 379.441 4.133 20 5 GIBDRN Cc1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c(OCC(=O)N(C)C)c1 ZINC000122579807 823375980 /nfs/dbraw/zinc/37/59/80/823375980.db2.gz FSDBIFPNMGWTRH-UHFFFAOYSA-N 0 0 385.464 4.106 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)CC2(c3ccccc3)CC2)cc1SC ZINC000189211630 823376709 /nfs/dbraw/zinc/37/67/09/823376709.db2.gz JKMDOQQCDWNUOV-UHFFFAOYSA-N 0 0 386.473 4.129 20 5 GIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000023786276 818984513 /nfs/dbraw/zinc/98/45/13/818984513.db2.gz RYMRFTOVNWARRJ-UHFFFAOYSA-N 0 0 393.390 4.047 20 5 GIBDRN CN(CC1(c2ccccc2)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000189223138 823378086 /nfs/dbraw/zinc/37/80/86/823378086.db2.gz QXMPHIXVZICIBD-UHFFFAOYSA-N 0 0 389.249 4.161 20 5 GIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000023926998 818995171 /nfs/dbraw/zinc/99/51/71/818995171.db2.gz ALLZEHOLMYCQFZ-UHFFFAOYSA-N 0 0 389.502 4.392 20 5 GIBDRN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000023996774 819004869 /nfs/dbraw/zinc/00/48/69/819004869.db2.gz ZRGITIUIBPOZQC-UHFFFAOYSA-N 0 0 394.456 4.469 20 5 GIBDRN CC[C@@H](c1cccc(OC)c1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572678561 823381014 /nfs/dbraw/zinc/38/10/14/823381014.db2.gz XHHCFIIGVKRDBD-SFHVURJKSA-N 0 0 382.420 4.237 20 5 GIBDRN CCCn1c(=O)c2ccccc2nc1SCc1cc([N+](=O)[O-])ccc1OC ZINC000024214582 819035176 /nfs/dbraw/zinc/03/51/76/819035176.db2.gz IKPUFQBWLBWKDQ-UHFFFAOYSA-N 0 0 385.445 4.016 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000024218993 819035605 /nfs/dbraw/zinc/03/56/05/819035605.db2.gz LXLRHOFAEUGJAI-UHFFFAOYSA-N 0 0 396.472 4.413 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Sc2nccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000024321360 819045580 /nfs/dbraw/zinc/04/55/80/819045580.db2.gz ZHRPGCWMQYCCGD-HNNXBMFYSA-N 0 0 396.472 4.267 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000024336600 819047419 /nfs/dbraw/zinc/04/74/19/819047419.db2.gz CUBPARVKLKTTIV-UHFFFAOYSA-N 0 0 383.423 4.139 20 5 GIBDRN CCCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000058363061 823382835 /nfs/dbraw/zinc/38/28/35/823382835.db2.gz DCILABNBBOCFRM-UHFFFAOYSA-N 0 0 397.475 4.304 20 5 GIBDRN CSc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000122647244 823387261 /nfs/dbraw/zinc/38/72/61/823387261.db2.gz CCMDQLGWBAJGNW-CYBMUJFWSA-N 0 0 390.486 4.256 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(Br)ccc1Cl ZINC000122653758 823388645 /nfs/dbraw/zinc/38/86/45/823388645.db2.gz QXBNWIZOLSPRFN-UHFFFAOYSA-N 0 0 395.600 4.139 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H]1COc2ccccc21 ZINC000572753972 823392815 /nfs/dbraw/zinc/39/28/15/823392815.db2.gz FCEQXPNRQDFOCE-VIFPVBQESA-N 0 0 389.280 4.232 20 5 GIBDRN CSc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000460449425 823392983 /nfs/dbraw/zinc/39/29/83/823392983.db2.gz PLQRSCNMYFMQDQ-LLVKDONJSA-N 0 0 380.853 4.167 20 5 GIBDRN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000572755588 823393195 /nfs/dbraw/zinc/39/31/95/823393195.db2.gz CQVCETVJSVSUJV-VIFPVBQESA-N 0 0 383.420 4.047 20 5 GIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000058456419 823394505 /nfs/dbraw/zinc/39/45/05/823394505.db2.gz AVRVGFJRWNJRGU-UHFFFAOYSA-N 0 0 388.383 4.302 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122694027 823395717 /nfs/dbraw/zinc/39/57/17/823395717.db2.gz DNBIZTKHTOWQTH-UHFFFAOYSA-N 0 0 399.281 4.113 20 5 GIBDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000177194197 823395812 /nfs/dbraw/zinc/39/58/12/823395812.db2.gz JSVYSRBVLHDPEZ-ROUUACIJSA-N 0 0 384.479 4.463 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000460458420 823396508 /nfs/dbraw/zinc/39/65/08/823396508.db2.gz AKDWLKBUWJLSBO-PBHICJAKSA-N 0 0 378.494 4.026 20 5 GIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000572781789 823397874 /nfs/dbraw/zinc/39/78/74/823397874.db2.gz JVMDLXDNRKPESB-KZULUSFZSA-N 0 0 392.814 4.091 20 5 GIBDRN O=C(NCc1ccccc1OC1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000058496069 823400070 /nfs/dbraw/zinc/40/00/70/823400070.db2.gz KCADXMPRSCHFMU-UHFFFAOYSA-N 0 0 379.416 4.328 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000410148519 823401869 /nfs/dbraw/zinc/40/18/69/823401869.db2.gz RLCDJFBRRIOQSH-OAQYLSRUSA-N 0 0 387.439 4.452 20 5 GIBDRN Cc1c(C(=O)Nc2cccc(-c3nccs3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122731228 823402185 /nfs/dbraw/zinc/40/21/85/823402185.db2.gz QKIFBRPYGXFBJA-UHFFFAOYSA-N 0 0 398.400 4.496 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000460493476 823407363 /nfs/dbraw/zinc/40/73/63/823407363.db2.gz KCUYMSTUXJWOCA-GJZGRUSLSA-N 0 0 379.243 4.364 20 5 GIBDRN O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 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C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000032471861 820953109 /nfs/dbraw/zinc/95/31/09/820953109.db2.gz VDEYJICCQHVYRT-ZETCQYMHSA-N 0 0 377.369 4.189 20 5 GIBDRN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032502752 820962152 /nfs/dbraw/zinc/96/21/52/820962152.db2.gz GTAPQSZWRMJMQZ-UHFFFAOYSA-N 0 0 379.869 4.182 20 5 GIBDRN CCOc1ccc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-] ZINC000032580607 820970924 /nfs/dbraw/zinc/97/09/24/820970924.db2.gz WUVNBIMKWXEVDK-UHFFFAOYSA-N 0 0 399.428 4.378 20 5 GIBDRN Cc1cscc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000123537263 823518910 /nfs/dbraw/zinc/51/89/10/823518910.db2.gz OJWAALJFTPOSEG-CQSZACIVSA-N 0 0 391.449 4.169 20 5 GIBDRN CCCCO[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740492 823518965 /nfs/dbraw/zinc/51/89/65/823518965.db2.gz RRPCMSSPDTZGJZ-IAGOWNOFSA-N 0 0 388.468 4.060 20 5 GIBDRN Cc1c(CC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000123538259 823519116 /nfs/dbraw/zinc/51/91/16/823519116.db2.gz UJSATCIONDIAEH-HHHXNRCGSA-N 0 0 388.489 4.132 20 5 GIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000032676700 820988108 /nfs/dbraw/zinc/98/81/08/820988108.db2.gz KXVYQOXRQZLLHJ-OAHLLOKOSA-N 0 0 377.400 4.060 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(OC)c(OC)c1Cl ZINC000410876859 823520199 /nfs/dbraw/zinc/52/01/99/823520199.db2.gz NSHKUAWDMSMFNZ-UHFFFAOYSA-N 0 0 378.812 4.009 20 5 GIBDRN C[C@H]1CCSCCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000189977888 823520296 /nfs/dbraw/zinc/52/02/96/823520296.db2.gz HGVBNWMEMRNJPK-JTQLQIEISA-N 0 0 394.440 4.060 20 5 GIBDRN CCc1cc(N2CC[C@@H](Nc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060369858 823520687 /nfs/dbraw/zinc/52/06/87/823520687.db2.gz XNBJCBZCBOYGMW-LJQANCHMSA-N 0 0 389.459 4.305 20 5 GIBDRN CCc1cc(N2CC[C@H](Nc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060369857 823520727 /nfs/dbraw/zinc/52/07/27/823520727.db2.gz XNBJCBZCBOYGMW-IBGZPJMESA-N 0 0 389.459 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ZINC000033220519 821050347 /nfs/dbraw/zinc/05/03/47/821050347.db2.gz HAQANCMCWSDWQS-CYBMUJFWSA-N 0 0 376.372 4.018 20 5 GIBDRN COc1ccccc1CN(Cc1cccs1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036747862 821080723 /nfs/dbraw/zinc/08/07/23/821080723.db2.gz GOWBQHNABNGEHW-UHFFFAOYSA-N 0 0 396.468 4.436 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cccc1[N+](=O)[O-] ZINC000036774059 821082410 /nfs/dbraw/zinc/08/24/10/821082410.db2.gz RHAIOYHWXXTDAI-UHFFFAOYSA-N 0 0 382.416 4.217 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000410962434 823524839 /nfs/dbraw/zinc/52/48/39/823524839.db2.gz KDXVOZDKMYYCIT-UHFFFAOYSA-N 0 0 376.210 4.190 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccc(Br)cn2)no1 ZINC000460835597 823525400 /nfs/dbraw/zinc/52/54/00/823525400.db2.gz LIYSGGGVJYPEKD-UHFFFAOYSA-N 0 0 381.573 4.123 20 5 GIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000038610385 821098006 /nfs/dbraw/zinc/09/80/06/821098006.db2.gz KBBAYWBUMDALMB-UHFFFAOYSA-N 0 0 385.427 4.479 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c1[N+](=O)[O-] ZINC000410994003 823530635 /nfs/dbraw/zinc/53/06/35/823530635.db2.gz ALWYBKWVVLVYLV-CQSZACIVSA-N 0 0 383.473 4.336 20 5 GIBDRN COc1cc(CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)ccc1SC ZINC000060469631 823531753 /nfs/dbraw/zinc/53/17/53/823531753.db2.gz CNOXKLHNNZNPCD-UHFFFAOYSA-N 0 0 385.445 4.079 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000040311669 821157767 /nfs/dbraw/zinc/15/77/67/821157767.db2.gz CJJBBPZUNOOLAO-HSZRJFAPSA-N 0 0 388.423 4.148 20 5 GIBDRN Cn1c(COc2ccccc2)nnc1SCc1cc([N+](=O)[O-])ccc1Cl ZINC000177841484 823534730 /nfs/dbraw/zinc/53/47/30/823534730.db2.gz KLGFSDAXUJQIQM-UHFFFAOYSA-N 0 0 390.852 4.248 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3cc(C)ccc3F)[nH]n2)c1 ZINC000190093995 823536665 /nfs/dbraw/zinc/53/66/65/823536665.db2.gz ZTUPYZRRBMQBNI-UHFFFAOYSA-N 0 0 386.408 4.407 20 5 GIBDRN COCC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000411042067 823536693 /nfs/dbraw/zinc/53/66/93/823536693.db2.gz CUPRSFHRBUXYRV-MRXNPFEDSA-N 0 0 396.365 4.430 20 5 GIBDRN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177855619 823536968 /nfs/dbraw/zinc/53/69/68/823536968.db2.gz WRDOOCIRRWCKOF-GFCCVEGCSA-N 0 0 385.445 4.348 20 5 GIBDRN O=C(Nc1ccnn1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000123748848 823536980 /nfs/dbraw/zinc/53/69/80/823536980.db2.gz ZBIRTIVFAVJVFY-UHFFFAOYSA-N 0 0 383.452 4.493 20 5 GIBDRN CC[C@H](C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCO1 ZINC000460897445 823537852 /nfs/dbraw/zinc/53/78/52/823537852.db2.gz QOMPWKZISGONSM-KXBFYZLASA-N 0 0 399.495 4.048 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000177864235 823538098 /nfs/dbraw/zinc/53/80/98/823538098.db2.gz OWJXECLLHLBHPB-NSHDSACASA-N 0 0 380.347 4.004 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000177864223 823538192 /nfs/dbraw/zinc/53/81/92/823538192.db2.gz 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CN(C)C(=O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000042104360 821267043 /nfs/dbraw/zinc/26/70/43/821267043.db2.gz DPTWXUDWBWNNKB-UHFFFAOYSA-N 0 0 390.395 4.320 20 5 GIBDRN CCCn1c(=O)c2ccccc2nc1SCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000042128834 821270889 /nfs/dbraw/zinc/27/08/89/821270889.db2.gz WUPYSDXSRPRRMC-UHFFFAOYSA-N 0 0 385.445 4.016 20 5 GIBDRN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1cccc([N+](=O)[O-])c1C ZINC000042129697 821271249 /nfs/dbraw/zinc/27/12/49/821271249.db2.gz JOSFXUGMDWNFEZ-ZDUSSCGKSA-N 0 0 399.472 4.113 20 5 GIBDRN CCOc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000042918384 821344903 /nfs/dbraw/zinc/34/49/03/821344903.db2.gz AWDDCFRDWWEBEP-UHFFFAOYSA-N 0 0 398.387 4.326 20 5 GIBDRN CC(C)OCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000042918418 821344913 /nfs/dbraw/zinc/34/49/13/821344913.db2.gz ONEPPENDGIYCIN-UHFFFAOYSA-N 0 0 380.347 4.374 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000042672116 821323511 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4.147 20 5 GIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331576 821394019 /nfs/dbraw/zinc/39/40/19/821394019.db2.gz CTOFXTINPPGKJD-UHFFFAOYSA-N 0 0 377.784 4.031 20 5 GIBDRN Cc1c(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000043347389 821395868 /nfs/dbraw/zinc/39/58/68/821395868.db2.gz KCUVELXOFYXVMF-UHFFFAOYSA-N 0 0 377.404 4.101 20 5 GIBDRN Cc1c(NC(=O)NCCc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000043348343 821396152 /nfs/dbraw/zinc/39/61/52/821396152.db2.gz PNXIIRHKAUMKIT-UHFFFAOYSA-N 0 0 384.255 4.091 20 5 GIBDRN Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000180721548 821417625 /nfs/dbraw/zinc/41/76/25/821417625.db2.gz NAZJQYLFQPJYPU-CYBMUJFWSA-N 0 0 383.383 4.111 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000043741862 821450659 /nfs/dbraw/zinc/45/06/59/821450659.db2.gz YRDYUDMCCKWXAC-UHFFFAOYSA-N 0 0 392.411 4.112 20 5 GIBDRN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043770203 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CC[C@H](c1ccncc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182782235 822366884 /nfs/dbraw/zinc/36/68/84/822366884.db2.gz XLDJFENBNSUKHW-CQSZACIVSA-N 0 0 379.869 4.345 20 5 GIBDRN CC[C@@](C)(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000182799831 822369559 /nfs/dbraw/zinc/36/95/59/822369559.db2.gz VYLMPQBASGBFLT-OAHLLOKOSA-N 0 0 385.898 4.238 20 5 GIBDRN CCOCCCNC(=O)c1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000182802090 822369800 /nfs/dbraw/zinc/36/98/00/822369800.db2.gz OFNVULJHUAEGFB-INIZCTEOSA-N 0 0 385.464 4.233 20 5 GIBDRN O=C(NCc1cccc2cccnc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178349711 822369968 /nfs/dbraw/zinc/36/99/68/822369968.db2.gz KGVNELOFHUDHDL-UHFFFAOYSA-N 0 0 376.416 4.017 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178366917 822371657 /nfs/dbraw/zinc/37/16/57/822371657.db2.gz RZKMBCOHTXJJQG-SFTDATJTSA-N 0 0 395.459 4.189 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178366949 822371740 /nfs/dbraw/zinc/37/17/40/822371740.db2.gz RZKMBCOHTXJJQG-RTWAWAEBSA-N 0 0 395.459 4.189 20 5 GIBDRN CC(C)Cn1c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453475072 822373780 /nfs/dbraw/zinc/37/37/80/822373780.db2.gz BUBMHENTRJZROB-OAQYLSRUSA-N 0 0 399.495 4.037 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182833584 822375066 /nfs/dbraw/zinc/37/50/66/822375066.db2.gz JOIWPDNEPKTARH-DOMZBBRYSA-N 0 0 391.880 4.345 20 5 GIBDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000182856839 822379738 /nfs/dbraw/zinc/37/97/38/822379738.db2.gz VSLNGBRQRFZWDP-UZUQRXQVSA-N 0 0 397.478 4.159 20 5 GIBDRN O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182859958 822380630 /nfs/dbraw/zinc/38/06/30/822380630.db2.gz KMTYLEQLAUWNQE-GOSISDBHSA-N 0 0 399.353 4.111 20 5 GIBDRN C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000045396819 822383369 /nfs/dbraw/zinc/38/33/69/822383369.db2.gz IQQFTOXTRIOEMN-JTQLQIEISA-N 0 0 381.201 4.330 20 5 GIBDRN COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000178489268 822384680 /nfs/dbraw/zinc/38/46/80/822384680.db2.gz WXILOJKWPZASDP-UHFFFAOYSA-N 0 0 398.337 4.200 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182900657 822389084 /nfs/dbraw/zinc/38/90/84/822389084.db2.gz MBEIHLRGSWHCMK-DYVFJYSZSA-N 0 0 388.395 4.034 20 5 GIBDRN O=C(Nc1ccc(Br)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178564778 822392300 /nfs/dbraw/zinc/39/23/00/822392300.db2.gz PDLAKQLBUIRSCQ-UHFFFAOYSA-N 0 0 378.207 4.219 20 5 GIBDRN CC[C@H](N[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000178676402 822401972 /nfs/dbraw/zinc/40/19/72/822401972.db2.gz GSOFDUKAPILDBP-ABAIWWIYSA-N 0 0 386.477 4.312 20 5 GIBDRN CC[C@H](Nc1cc(C(=O)N2CCCC2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000182985610 822405184 /nfs/dbraw/zinc/40/51/84/822405184.db2.gz NNTVYFBZUVGXIT-SFHVURJKSA-N 0 0 383.448 4.403 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)cc1Br ZINC000178728974 822405904 /nfs/dbraw/zinc/40/59/04/822405904.db2.gz IGPJYKZHJDUJJO-JTQLQIEISA-N 0 0 383.217 4.356 20 5 GIBDRN C[C@@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000182994230 822407595 /nfs/dbraw/zinc/40/75/95/822407595.db2.gz DXYIKFZHCNNDIR-OAHLLOKOSA-N 0 0 376.416 4.093 20 5 GIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000183022385 822412932 /nfs/dbraw/zinc/41/29/32/822412932.db2.gz PZDLKIAQGJCTRD-SNVBAGLBSA-N 0 0 399.419 4.357 20 5 GIBDRN CC[C@@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000045812201 822415316 /nfs/dbraw/zinc/41/53/16/822415316.db2.gz BRKPOIPGOLYXQP-LBPRGKRZSA-N 0 0 394.374 4.128 20 5 GIBDRN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2c2cccnc12 ZINC000178842501 822415742 /nfs/dbraw/zinc/41/57/42/822415742.db2.gz OYNHQLAYCQANTO-AOMKIAJQSA-N 0 0 378.497 4.173 20 5 GIBDRN CC(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000183043726 822416703 /nfs/dbraw/zinc/41/67/03/822416703.db2.gz FYUVAKATBKNMDQ-HNNXBMFYSA-N 0 0 393.896 4.291 20 5 GIBDRN O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178901492 822420195 /nfs/dbraw/zinc/42/01/95/822420195.db2.gz JCQDITAZUUCISM-GXFFZTMASA-N 0 0 375.324 4.076 20 5 GIBDRN O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178901502 822420304 /nfs/dbraw/zinc/42/03/04/822420304.db2.gz JCQDITAZUUCISM-MFKMUULPSA-N 0 0 375.324 4.076 20 5 GIBDRN CC(C)c1ccccc1OC[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000045870599 822420394 /nfs/dbraw/zinc/42/03/94/822420394.db2.gz ASMZWKOBLWNQBD-LJQANCHMSA-N 0 0 388.467 4.113 20 5 GIBDRN COc1ccccc1Oc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000045932612 822424632 /nfs/dbraw/zinc/42/46/32/822424632.db2.gz KQSGXVMVTJNPMA-UHFFFAOYSA-N 0 0 394.383 4.413 20 5 GIBDRN CC(C)(CO)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000179003411 822428645 /nfs/dbraw/zinc/42/86/45/822428645.db2.gz XTGAPICBMUWSJK-KRWDZBQOSA-N 0 0 398.484 4.342 20 5 GIBDRN CCCc1noc2nc(C3CC3)cc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)c12 ZINC000179023665 822430948 /nfs/dbraw/zinc/43/09/48/822430948.db2.gz HEGWZAYCXRPTTO-UHFFFAOYSA-N 0 0 380.404 4.238 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000045998270 822432369 /nfs/dbraw/zinc/43/23/69/822432369.db2.gz RDJMPIVZUDUAQI-UHFFFAOYSA-N 0 0 385.351 4.021 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)c1 ZINC000454141294 822432869 /nfs/dbraw/zinc/43/28/69/822432869.db2.gz WNRQATXFMRUJAY-KOMQPUFPSA-N 0 0 385.420 4.022 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2nnc(C3CC3)n2C2CC2)ccc1Br ZINC000179044846 822432936 /nfs/dbraw/zinc/43/29/36/822432936.db2.gz ZZZKUGIUHMUHJH-UHFFFAOYSA-N 0 0 395.282 4.453 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000454144797 822433045 /nfs/dbraw/zinc/43/30/45/822433045.db2.gz KNDKQQJVRQAVEV-HNNXBMFYSA-N 0 0 397.353 4.167 20 5 GIBDRN COc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454159674 822434035 /nfs/dbraw/zinc/43/40/35/822434035.db2.gz KFAACGQGXXJYJG-WBVHZDCISA-N 0 0 383.448 4.254 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000454195582 822437637 /nfs/dbraw/zinc/43/76/37/822437637.db2.gz BTAXKIVPQWVTHQ-NWDGAFQWSA-N 0 0 379.363 4.318 20 5 GIBDRN C[C@@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183186129 822437667 /nfs/dbraw/zinc/43/76/67/822437667.db2.gz NDSXYOKVUUPCHH-QLJPJBMISA-N 0 0 378.787 4.131 20 5 GIBDRN COc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000179094892 822437719 /nfs/dbraw/zinc/43/77/19/822437719.db2.gz IWWWACLHXFBMAP-UHFFFAOYSA-N 0 0 391.427 4.301 20 5 GIBDRN COc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000454200440 822438196 /nfs/dbraw/zinc/43/81/96/822438196.db2.gz QQLHCTOEHMJFHR-HNNXBMFYSA-N 0 0 385.420 4.024 20 5 GIBDRN CN(Cc1csc2ccccc12)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046089551 822440509 /nfs/dbraw/zinc/44/05/09/822440509.db2.gz RDUAPKSVJFHXRU-UHFFFAOYSA-N 0 0 380.429 4.492 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cc2cc(Br)ccc2o1 ZINC000046148298 822444133 /nfs/dbraw/zinc/44/41/33/822444133.db2.gz PQQQUTCYJVQVLP-UHFFFAOYSA-N 0 0 375.178 4.034 20 5 GIBDRN O=C(COC(c1ccccc1)c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000046148034 822444176 /nfs/dbraw/zinc/44/41/76/822444176.db2.gz KGQHNKCAXVMWBV-UHFFFAOYSA-N 0 0 376.412 4.017 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCC1 ZINC000046147794 822444206 /nfs/dbraw/zinc/44/42/06/822444206.db2.gz YAXMBAXBNGRRSC-UHFFFAOYSA-N 0 0 389.249 4.095 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000046153503 822445162 /nfs/dbraw/zinc/44/51/62/822445162.db2.gz YSRMJLQPGGIXTF-UHFFFAOYSA-N 0 0 384.310 4.273 20 5 GIBDRN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179268365 822459392 /nfs/dbraw/zinc/45/93/92/822459392.db2.gz AGFSWKOHCFUUTG-MRXNPFEDSA-N 0 0 386.795 4.228 20 5 GIBDRN COc1cccc(Oc2ccc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cn2)c1 ZINC000046305596 822459531 /nfs/dbraw/zinc/45/95/31/822459531.db2.gz LFEJJVLFYNGSCK-UHFFFAOYSA-N 0 0 393.399 4.029 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000454361381 822461892 /nfs/dbraw/zinc/46/18/92/822461892.db2.gz MLBIPQLNACNBNE-XPTSAGLGSA-N 0 0 379.338 4.060 20 5 GIBDRN COCc1ccsc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000183362035 822463791 /nfs/dbraw/zinc/46/37/91/822463791.db2.gz WMDVIOZJUYMVAX-UHFFFAOYSA-N 0 0 389.458 4.203 20 5 GIBDRN COc1ccccc1[C@@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000179312259 822464651 /nfs/dbraw/zinc/46/46/51/822464651.db2.gz PUVVHBVARKSCPP-HXUWFJFHSA-N 0 0 378.384 4.253 20 5 GIBDRN COc1ccc(OCc2ccccn2)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179315232 822465083 /nfs/dbraw/zinc/46/50/83/822465083.db2.gz XMUFTJSDOYPPSO-UHFFFAOYSA-N 0 0 393.443 4.209 20 5 GIBDRN Cc1nc2ccc(NC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2o1 ZINC000454379607 822465634 /nfs/dbraw/zinc/46/56/34/822465634.db2.gz NIPCYUXGSDMPPQ-HNNXBMFYSA-N 0 0 380.404 4.456 20 5 GIBDRN COc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1ccccn1 ZINC000179327486 822466560 /nfs/dbraw/zinc/46/65/60/822466560.db2.gz MDORFFQQZLMAOZ-AWEZNQCLSA-N 0 0 377.400 4.156 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000046401154 822469927 /nfs/dbraw/zinc/46/99/27/822469927.db2.gz OPMHLIKWUXTBCU-NWDGAFQWSA-N 0 0 378.425 4.101 20 5 GIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000046401156 822469985 /nfs/dbraw/zinc/46/99/85/822469985.db2.gz OPMHLIKWUXTBCU-VXGBXAGGSA-N 0 0 378.425 4.101 20 5 GIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179365383 822471991 /nfs/dbraw/zinc/47/19/91/822471991.db2.gz CBZAVNVYFUWWIE-QGZVFWFLSA-N 0 0 397.482 4.403 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183454787 822477509 /nfs/dbraw/zinc/47/75/09/822477509.db2.gz CXTZUBLKZVVGRY-NSHDSACASA-N 0 0 388.786 4.315 20 5 GIBDRN O=C(C1CCC(F)(F)CC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000179408162 822478403 /nfs/dbraw/zinc/47/84/03/822478403.db2.gz CNRQONDUSCIBNW-UHFFFAOYSA-N 0 0 380.313 4.311 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1OCc1ccccc1 ZINC000046500606 822478622 /nfs/dbraw/zinc/47/86/22/822478622.db2.gz UPZSVNJVCYQBIJ-UHFFFAOYSA-N 0 0 376.412 4.033 20 5 GIBDRN Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000179423368 822480334 /nfs/dbraw/zinc/48/03/34/822480334.db2.gz WWFUKSVSFVLNMO-AWEZNQCLSA-N 0 0 393.241 4.065 20 5 GIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179422956 822480339 /nfs/dbraw/zinc/48/03/39/822480339.db2.gz OXDGRXTVXXYTJI-CYBMUJFWSA-N 0 0 389.477 4.153 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000454470291 822480534 /nfs/dbraw/zinc/48/05/34/822480534.db2.gz YABZOVCFUNEVCJ-NWDGAFQWSA-N 0 0 376.482 4.470 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cccc1C(=O)N1CCCC1 ZINC000183480031 822482613 /nfs/dbraw/zinc/48/26/13/822482613.db2.gz OHSUYWQJWZZGAR-AWEZNQCLSA-N 0 0 399.422 4.021 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc21 ZINC000179440448 822483144 /nfs/dbraw/zinc/48/31/44/822483144.db2.gz HODHTABYEXKYSF-AWEZNQCLSA-N 0 0 382.420 4.079 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)cc1OC ZINC000179442865 822483734 /nfs/dbraw/zinc/48/37/34/822483734.db2.gz GHJBICRSCJBKIV-XCLFUZPHSA-N 0 0 384.432 4.056 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454523909 822491181 /nfs/dbraw/zinc/49/11/81/822491181.db2.gz YFNOFIPNTUKXOJ-JYJNAYRXSA-N 0 0 398.463 4.091 20 5 GIBDRN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000046644618 822497267 /nfs/dbraw/zinc/49/72/67/822497267.db2.gz ZNBGYMYZXZIIDY-AWEZNQCLSA-N 0 0 382.395 4.143 20 5 GIBDRN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000046654456 822499719 /nfs/dbraw/zinc/49/97/19/822499719.db2.gz ZFNWWFBWOJKKSM-UHFFFAOYSA-N 0 0 392.415 4.466 20 5 GIBDRN CC[C@H](C)Oc1cc(C)ccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179605719 822511277 /nfs/dbraw/zinc/51/12/77/822511277.db2.gz DQFCMSBGHNGBPM-LBPRGKRZSA-N 0 0 398.506 4.158 20 5 GIBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OC(F)F)cc1 ZINC000179612057 822512657 /nfs/dbraw/zinc/51/26/57/822512657.db2.gz JDOMPHLSFQYEOM-NSHDSACASA-N 0 0 390.346 4.097 20 5 GIBDRN O=C(NCc1nc(C2CC2)cs1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454662869 822514107 /nfs/dbraw/zinc/51/41/07/822514107.db2.gz DAIDSMCADWQESL-OAHLLOKOSA-N 0 0 386.477 4.018 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000179656511 822521501 /nfs/dbraw/zinc/52/15/01/822521501.db2.gz KJPIPEDOBRZCFT-BEFAXECRSA-N 0 0 383.448 4.080 20 5 GIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183753782 822522626 /nfs/dbraw/zinc/52/26/26/822522626.db2.gz YJDCBVHXHIUPSZ-UHFFFAOYSA-N 0 0 391.431 4.285 20 5 GIBDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)c1 ZINC000183762950 822524214 /nfs/dbraw/zinc/52/42/14/822524214.db2.gz SPQBPIITIIBPDA-QGZVFWFLSA-N 0 0 390.443 4.027 20 5 GIBDRN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)c1 ZINC000183762962 822524550 /nfs/dbraw/zinc/52/45/50/822524550.db2.gz SPQBPIITIIBPDA-KRWDZBQOSA-N 0 0 390.443 4.027 20 5 GIBDRN CC(C)n1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc21 ZINC000179713662 822533239 /nfs/dbraw/zinc/53/32/39/822533239.db2.gz OLZCKUUMIMWCPT-UHFFFAOYSA-N 0 0 375.388 4.326 20 5 GIBDRN Cc1cnc([C@H](C)CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000454789065 822534331 /nfs/dbraw/zinc/53/43/31/822534331.db2.gz JIBMNIMZYTZZKA-CJNGLKHVSA-N 0 0 388.493 4.052 20 5 GIBDRN O=C(N[C@H]1CCCOc2c(F)cccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183839089 822534446 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4.402 20 5 GIBDRN COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)OC(C)C ZINC000183893760 822541840 /nfs/dbraw/zinc/54/18/40/822541840.db2.gz SMHFNWSHTDSBRA-LJQANCHMSA-N 0 0 387.436 4.200 20 5 GIBDRN CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(C(C)C)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000047081028 822543132 /nfs/dbraw/zinc/54/31/32/822543132.db2.gz GNFPIBMXUSSTOQ-ZDLGFXPLSA-N 0 0 393.399 4.021 20 5 GIBDRN COc1ccccc1COC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000179754536 822543570 /nfs/dbraw/zinc/54/35/70/822543570.db2.gz VXNRFFQRJZNCKZ-UHFFFAOYSA-N 0 0 390.867 4.438 20 5 GIBDRN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1csc([N+](=O)[O-])c1 ZINC000047171597 822550583 /nfs/dbraw/zinc/55/05/83/822550583.db2.gz WGBFSHKPHVSDES-UHFFFAOYSA-N 0 0 381.504 4.357 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000179799954 822555189 /nfs/dbraw/zinc/55/51/89/822555189.db2.gz JBYCBEOPRFJCAD-OAHLLOKOSA-N 0 0 384.457 4.198 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000047221374 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C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000455207841 822608812 /nfs/dbraw/zinc/60/88/12/822608812.db2.gz LWRWBGXXTYEZMF-RHSMWYFYSA-N 0 0 383.452 4.174 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000184288779 822609219 /nfs/dbraw/zinc/60/92/19/822609219.db2.gz BTHWOCQIAFZJSZ-LBPRGKRZSA-N 0 0 386.839 4.174 20 5 GIBDRN COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000455217713 822610686 /nfs/dbraw/zinc/61/06/86/822610686.db2.gz XRSYGIDQZNILMP-ZBEGNZNMSA-N 0 0 397.353 4.267 20 5 GIBDRN C[C@@H](C(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184319113 822614088 /nfs/dbraw/zinc/61/40/88/822614088.db2.gz YPXBFQWWAGVRLF-HUUCEWRRSA-N 0 0 388.464 4.478 20 5 GIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184355252 822621106 /nfs/dbraw/zinc/62/11/06/822621106.db2.gz BACSCWOBSIAZPY-UKRRQHHQSA-N 0 0 386.423 4.082 20 5 GIBDRN 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SXLIBKXLOFXLEB-UHFFFAOYSA-N 0 0 390.823 4.385 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccco1)C[C@H]1CCCO1 ZINC000175160167 822894828 /nfs/dbraw/zinc/89/48/28/822894828.db2.gz QVDRQAHGZSVOTK-CQSZACIVSA-N 0 0 398.337 4.028 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186448147 822897292 /nfs/dbraw/zinc/89/72/92/822897292.db2.gz BBONJYVSOATMKA-NRFANRHFSA-N 0 0 393.468 4.350 20 5 GIBDRN O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175172376 822897505 /nfs/dbraw/zinc/89/75/05/822897505.db2.gz RDXYYIIRLLGIIC-UHFFFAOYSA-N 0 0 379.216 4.280 20 5 GIBDRN Cc1c(Br)cc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000186463459 822899327 /nfs/dbraw/zinc/89/93/27/822899327.db2.gz IXTQXDWFUXHXDS-SNVBAGLBSA-N 0 0 393.241 4.086 20 5 GIBDRN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)nn21 ZINC000569274117 822899447 /nfs/dbraw/zinc/89/94/47/822899447.db2.gz AMDBRFZJDYHXHG-ZDUSSCGKSA-N 0 0 391.353 4.040 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000054644085 822901057 /nfs/dbraw/zinc/90/10/57/822901057.db2.gz BJJIEUZKDWRHKJ-MRXNPFEDSA-N 0 0 381.354 4.130 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000054644500 822901191 /nfs/dbraw/zinc/90/11/91/822901191.db2.gz MXJWIKFEQRYPMH-IBGZPJMESA-N 0 0 399.447 4.427 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1[N+](=O)[O-] ZINC000054672285 822903837 /nfs/dbraw/zinc/90/38/37/822903837.db2.gz VDONIZBXIJCANS-UHFFFAOYSA-N 0 0 376.416 4.355 20 5 GIBDRN Cc1cccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000175211638 822905384 /nfs/dbraw/zinc/90/53/84/822905384.db2.gz XOZHTEIYDOMUEB-HNNXBMFYSA-N 0 0 381.354 4.444 20 5 GIBDRN CSc1cccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000186513278 822906928 /nfs/dbraw/zinc/90/69/28/822906928.db2.gz MXMWMEINDSKIFT-MRXNPFEDSA-N 0 0 385.489 4.058 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(CCc3ccccc3)ccn2)c1 ZINC000175224287 822908436 /nfs/dbraw/zinc/90/84/36/822908436.db2.gz WDZNLXKQCBMFPJ-UHFFFAOYSA-N 0 0 377.400 4.036 20 5 GIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2cc(Cl)cc(Br)c21 ZINC000569383287 822914015 /nfs/dbraw/zinc/91/40/15/822914015.db2.gz HWRFSUKWNVWZNM-UHFFFAOYSA-N 0 0 399.603 4.353 20 5 GIBDRN CN(C)c1cc(Cl)cc(Cl)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000569416044 822919758 /nfs/dbraw/zinc/91/97/58/822919758.db2.gz IIBTUKCMXLAZKO-UHFFFAOYSA-N 0 0 398.294 4.001 20 5 GIBDRN CCn1c(Cc2ccccc2)nnc1SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000054912114 822921157 /nfs/dbraw/zinc/92/11/57/822921157.db2.gz AYXUJBFQXRBIJV-UHFFFAOYSA-N 0 0 398.488 4.358 20 5 GIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000175272566 822921201 /nfs/dbraw/zinc/92/12/01/822921201.db2.gz UDIVBAFKEODZQJ-JTQLQIEISA-N 0 0 383.857 4.074 20 5 GIBDRN O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3cccnc3)n2C2CC2)cc1 ZINC000054915271 822921667 /nfs/dbraw/zinc/92/16/67/822921667.db2.gz CJKKMQQDMNMQNV-UHFFFAOYSA-N 0 0 397.460 4.144 20 5 GIBDRN O=[N+]([O-])c1ccc(OCCCSc2nncn2CCc2cccs2)cc1 ZINC000054916091 822921669 /nfs/dbraw/zinc/92/16/69/822921669.db2.gz WQHVQGSCTKNLRF-UHFFFAOYSA-N 0 0 390.490 4.052 20 5 GIBDRN CCC[C@@H](Nc1cccc2c1CCN2C(=O)COC)c1cccc([N+](=O)[O-])c1 ZINC000186602022 822921720 /nfs/dbraw/zinc/92/17/20/822921720.db2.gz OJWFLOVKPVNRKT-GOSISDBHSA-N 0 0 383.448 4.084 20 5 GIBDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175289597 822925601 /nfs/dbraw/zinc/92/56/01/822925601.db2.gz OKSBBTXEMPVKQW-KGLIPLIRSA-N 0 0 387.299 4.151 20 5 GIBDRN C[C@@H](NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000457855206 822925696 /nfs/dbraw/zinc/92/56/96/822925696.db2.gz RGCHCFVCGJVNHA-GFCCVEGCSA-N 0 0 393.365 4.484 20 5 GIBDRN C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000569467339 822926774 /nfs/dbraw/zinc/92/67/74/822926774.db2.gz ZBMDYNKDMJMVAQ-LLVKDONJSA-N 0 0 377.326 4.367 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1Cl ZINC000055012700 822930989 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4.422 20 5 GIBDRN CCc1cc(NC(=O)c2cc(COC(C)(C)C)on2)c2cc([N+](=O)[O-])ccc2n1 ZINC000186701381 822940669 /nfs/dbraw/zinc/94/06/69/822940669.db2.gz HKQFOZBABDLUOD-UHFFFAOYSA-N 0 0 398.419 4.261 20 5 GIBDRN Cc1cc(C)c2c(c1)CN([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000186703954 822941070 /nfs/dbraw/zinc/94/10/70/822941070.db2.gz OKUJRMLVZHMFGJ-OAHLLOKOSA-N 0 0 378.432 4.381 20 5 GIBDRN C[C@@H]1COc2ccccc2N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175348482 822941423 /nfs/dbraw/zinc/94/14/23/822941423.db2.gz LREUECXTEJQQDV-GFCCVEGCSA-N 0 0 381.413 4.146 20 5 GIBDRN Cc1ccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000186716219 822943455 /nfs/dbraw/zinc/94/34/55/822943455.db2.gz BQPFKMXWUFZFJF-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000569626021 822946621 /nfs/dbraw/zinc/94/66/21/822946621.db2.gz RUXCENKMFBDOGZ-LBPRGKRZSA-N 0 0 382.313 4.382 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000458001400 822949380 /nfs/dbraw/zinc/94/93/80/822949380.db2.gz MQKUWIWCSROCOL-MOPGFXCFSA-N 0 0 394.427 4.028 20 5 GIBDRN Cc1ccc(-c2nnc([C@H](C)N3CCOc4ccc([N+](=O)[O-])cc4C3)o2)cc1C ZINC000569651365 822950504 /nfs/dbraw/zinc/95/05/04/822950504.db2.gz FEHDNTOSSGJKTJ-HNNXBMFYSA-N 0 0 394.431 4.217 20 5 GIBDRN CN(C)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000055321146 822951845 /nfs/dbraw/zinc/95/18/45/822951845.db2.gz OAPKTASGRPUPDB-UHFFFAOYSA-N 0 0 397.353 4.087 20 5 GIBDRN Cc1nc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCCCC2)no1 ZINC000055334203 822952970 /nfs/dbraw/zinc/95/29/70/822952970.db2.gz PVGUZDAZFZJTBW-UHFFFAOYSA-N 0 0 386.433 4.090 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055343545 822953593 /nfs/dbraw/zinc/95/35/93/822953593.db2.gz DUQXYYWFULZLHU-OKILXGFUSA-N 0 0 399.422 4.104 20 5 GIBDRN Cc1c(Br)ccnc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000569693718 822956139 /nfs/dbraw/zinc/95/61/39/822956139.db2.gz KAIBVUNTILMWOM-UHFFFAOYSA-N 0 0 378.226 4.436 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000175392095 822956900 /nfs/dbraw/zinc/95/69/00/822956900.db2.gz LKTIKYWIAOMFPG-JQWIXIFHSA-N 0 0 387.299 4.104 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569708614 822957601 /nfs/dbraw/zinc/95/76/01/822957601.db2.gz UIYIEBUTDORWOT-CQSZACIVSA-N 0 0 387.461 4.230 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000186802635 822957971 /nfs/dbraw/zinc/95/79/71/822957971.db2.gz ZGYJHFHCRCKEOM-MRXNPFEDSA-N 0 0 394.475 4.102 20 5 GIBDRN Cc1ccc(OC2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000055417770 822959470 /nfs/dbraw/zinc/95/94/70/822959470.db2.gz OCPUDADJVKHHTP-UHFFFAOYSA-N 0 0 398.459 4.051 20 5 GIBDRN Cc1ccc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000569735132 822960599 /nfs/dbraw/zinc/96/05/99/822960599.db2.gz MTCTWFVJXFTPGK-UHFFFAOYSA-N 0 0 376.768 4.295 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000569747624 822963004 /nfs/dbraw/zinc/96/30/04/822963004.db2.gz ZZQUSQGWXXCBOJ-HXUWFJFHSA-N 0 0 395.459 4.427 20 5 GIBDRN C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000055465719 822966791 /nfs/dbraw/zinc/96/67/91/822966791.db2.gz OINJGAUJGYVZFI-CYBMUJFWSA-N 0 0 395.440 4.400 20 5 GIBDRN CCOc1cc(C(=O)Nc2cccc(OCC(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000055468059 822967233 /nfs/dbraw/zinc/96/72/33/822967233.db2.gz SIXIFKVBGGVKFN-UHFFFAOYSA-N 0 0 388.420 4.289 20 5 GIBDRN C[C@H](NC(=O)CCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000055467682 822967327 /nfs/dbraw/zinc/96/73/27/822967327.db2.gz UKCQMTUNEMELSW-LBPRGKRZSA-N 0 0 393.237 4.004 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000175434924 822968057 /nfs/dbraw/zinc/96/80/57/822968057.db2.gz RARQBZXWERUVAA-HUUCEWRRSA-N 0 0 396.472 4.139 20 5 GIBDRN CSc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000186856800 822968858 /nfs/dbraw/zinc/96/88/58/822968858.db2.gz SECCOHIPJRNVHD-UHFFFAOYSA-N 0 0 385.470 4.370 20 5 GIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000055493390 822970820 /nfs/dbraw/zinc/97/08/20/822970820.db2.gz UFAKFKPCWJFBAW-UHFFFAOYSA-N 0 0 384.461 4.039 20 5 GIBDRN COc1ccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000175453480 822972746 /nfs/dbraw/zinc/97/27/46/822972746.db2.gz FPTSMQIWZVKVGD-UHFFFAOYSA-N 0 0 384.413 4.013 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055524209 822974270 /nfs/dbraw/zinc/97/42/70/822974270.db2.gz SVEDVPCTYZGDAC-AWEZNQCLSA-N 0 0 389.795 4.004 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(C(F)(F)F)nn3)co2)cc1 ZINC000186923458 822980715 /nfs/dbraw/zinc/98/07/15/822980715.db2.gz OBXWYVNLWJGWEI-UHFFFAOYSA-N 0 0 382.323 4.351 20 5 GIBDRN COc1cc(Cc2noc(-c3ccccc3C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000569896402 822982346 /nfs/dbraw/zinc/98/23/46/822982346.db2.gz CAJRPIXOOOULJJ-UHFFFAOYSA-N 0 0 379.294 4.263 20 5 GIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1ccccc1Cl ZINC000055586277 822982593 /nfs/dbraw/zinc/98/25/93/822982593.db2.gz SDXKQCIRONNEGR-UHFFFAOYSA-N 0 0 377.809 4.449 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000055588392 822983017 /nfs/dbraw/zinc/98/30/17/822983017.db2.gz AIQRYZBGCPJMJT-UHFFFAOYSA-N 0 0 388.427 4.113 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175494387 822983216 /nfs/dbraw/zinc/98/32/16/822983216.db2.gz VZOOAUDRROILHR-HZPDHXFCSA-N 0 0 389.502 4.219 20 5 GIBDRN COc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175495732 822983415 /nfs/dbraw/zinc/98/34/15/822983415.db2.gz XJVILJXGPKRGPZ-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN CNc1ccc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1[N+](=O)[O-] ZINC000569912190 822984923 /nfs/dbraw/zinc/98/49/23/822984923.db2.gz BHEBLDPIOSYUPS-UHFFFAOYSA-N 0 0 391.431 4.089 20 5 GIBDRN CC(C)(NC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000175502809 822985071 /nfs/dbraw/zinc/98/50/71/822985071.db2.gz BDMKLZIDRNNYKE-QGZVFWFLSA-N 0 0 396.472 4.375 20 5 GIBDRN CN(Cc1nc(CCc2ccccc2)no1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514431 822988236 /nfs/dbraw/zinc/98/82/36/822988236.db2.gz RJJDSOQOINHUBO-UHFFFAOYSA-N 0 0 386.839 4.048 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186994995 822993997 /nfs/dbraw/zinc/99/39/97/822993997.db2.gz HIZWQSTZNCZCDN-FQEVSTJZSA-N 0 0 380.425 4.081 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCc2cc(F)ccc21 ZINC000055656752 822994818 /nfs/dbraw/zinc/99/48/18/822994818.db2.gz CKEJZEJIVYKVNE-FQEVSTJZSA-N 0 0 386.426 4.098 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000055681095 822997799 /nfs/dbraw/zinc/99/77/99/822997799.db2.gz OHMASXRFAVTUFG-UHFFFAOYSA-N 0 0 379.416 4.105 20 5 GIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000055689155 822999758 /nfs/dbraw/zinc/99/97/58/822999758.db2.gz WXZGDHJAZNHQHP-LLVKDONJSA-N 0 0 391.811 4.108 20 5 GIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175573632 823000506 /nfs/dbraw/zinc/00/05/06/823000506.db2.gz BADQTFXMJKGLEJ-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cccc(C(C)(F)F)c2)c([N+](=O)[O-])c1 ZINC000187049832 823003819 /nfs/dbraw/zinc/00/38/19/823003819.db2.gz YXOPRMDAHRHCIR-NSHDSACASA-N 0 0 379.363 4.154 20 5 GIBDRN C[C@H]1CCC[C@]1(O)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000570081035 823004205 /nfs/dbraw/zinc/00/42/05/823004205.db2.gz RVGFDSBNBPJSLI-XOBRGWDASA-N 0 0 392.521 4.158 20 5 GIBDRN Cc1ccc(-c2ncccc2NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000187065697 823005787 /nfs/dbraw/zinc/00/57/87/823005787.db2.gz KGLFUYXRRBLLGC-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000175608188 823005854 /nfs/dbraw/zinc/00/58/54/823005854.db2.gz HAPVGSZIGRIPPV-HNNXBMFYSA-N 0 0 393.447 4.076 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[C@H]1C ZINC000570120228 823007386 /nfs/dbraw/zinc/00/73/86/823007386.db2.gz PWHLOXWVRITYJC-VLIAUNLRSA-N 0 0 395.459 4.272 20 5 GIBDRN Cc1[nH]c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000187125279 823014317 /nfs/dbraw/zinc/01/43/17/823014317.db2.gz ZSJJLSXMKDAROX-UHFFFAOYSA-N 0 0 382.445 4.048 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000570220794 823016394 /nfs/dbraw/zinc/01/63/94/823016394.db2.gz UPNSVIIVUIDLNX-GFCCVEGCSA-N 0 0 385.251 4.084 20 5 GIBDRN Cc1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] ZINC000175671070 823016938 /nfs/dbraw/zinc/01/69/38/823016938.db2.gz BFZFDCPXUJYBAB-UHFFFAOYSA-N 0 0 386.795 4.178 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175677923 823018416 /nfs/dbraw/zinc/01/84/16/823018416.db2.gz OQWSLRFOAZTDAH-SNVBAGLBSA-N 0 0 387.783 4.181 20 5 GIBDRN Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000187156259 823018492 /nfs/dbraw/zinc/01/84/92/823018492.db2.gz AGDPEGPMXSQYEM-ZDUSSCGKSA-N 0 0 382.445 4.413 20 5 GIBDRN Cc1nn(CCC(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000175708914 823024836 /nfs/dbraw/zinc/02/48/36/823024836.db2.gz YVEBTJDNOXWTIZ-OCCSQVGLSA-N 0 0 392.887 4.102 20 5 GIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000187213186 823025748 /nfs/dbraw/zinc/02/57/48/823025748.db2.gz QYVDGJMAULBLES-UHFFFAOYSA-N 0 0 388.786 4.193 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000187218380 823026559 /nfs/dbraw/zinc/02/65/59/823026559.db2.gz JKUCEMUGQROUML-LBPRGKRZSA-N 0 0 397.460 4.024 20 5 GIBDRN CO[C@@H](C)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175743312 823030598 /nfs/dbraw/zinc/03/05/98/823030598.db2.gz IUHLLOKMZDIHMK-JTQLQIEISA-N 0 0 379.210 4.317 20 5 GIBDRN CO[C@H](C)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175743332 823030604 /nfs/dbraw/zinc/03/06/04/823030604.db2.gz IUHLLOKMZDIHMK-SNVBAGLBSA-N 0 0 379.210 4.317 20 5 GIBDRN Cc1cc(Cc2noc(Cc3csc(-c4ccoc4)n3)n2)ccc1[N+](=O)[O-] ZINC000570372791 823030914 /nfs/dbraw/zinc/03/09/14/823030914.db2.gz ZOVRMXVNPXMAMG-UHFFFAOYSA-N 0 0 382.401 4.184 20 5 GIBDRN Cc1cc(F)ccc1C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000570385765 823032159 /nfs/dbraw/zinc/03/21/59/823032159.db2.gz WPWBEMNIPLTVCK-UHFFFAOYSA-N 0 0 386.423 4.217 20 5 GIBDRN COCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1F ZINC000055728065 823033442 /nfs/dbraw/zinc/03/34/42/823033442.db2.gz OUQGEAPJCNXXSV-UHFFFAOYSA-N 0 0 390.392 4.226 20 5 GIBDRN CN(C(=O)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1)c1ccccc1 ZINC000055728851 823033738 /nfs/dbraw/zinc/03/37/38/823033738.db2.gz BZQVQAKPDJQSKL-UHFFFAOYSA-N 0 0 389.411 4.053 20 5 GIBDRN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175763474 823034333 /nfs/dbraw/zinc/03/43/33/823034333.db2.gz MNYGXRMFCMTAJC-UHFFFAOYSA-N 0 0 394.214 4.281 20 5 GIBDRN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000055743000 823036090 /nfs/dbraw/zinc/03/60/90/823036090.db2.gz IJCBMXFOOCIZLV-UHFFFAOYSA-N 0 0 385.395 4.002 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000187291445 823037886 /nfs/dbraw/zinc/03/78/86/823037886.db2.gz NPNWRWOXPBJMEN-UHFFFAOYSA-N 0 0 381.432 4.093 20 5 GIBDRN CCOc1cc(Cl)ccc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000570434410 823037884 /nfs/dbraw/zinc/03/78/84/823037884.db2.gz SBYAHSDFZQJFTK-UHFFFAOYSA-N 0 0 389.795 4.296 20 5 GIBDRN CC(C)COc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055766499 823040499 /nfs/dbraw/zinc/04/04/99/823040499.db2.gz GPFKKGNDEMEVQF-UHFFFAOYSA-N 0 0 397.475 4.485 20 5 GIBDRN CCCc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000570471498 823042639 /nfs/dbraw/zinc/04/26/39/823042639.db2.gz HSYZMTLIWDDMFL-UHFFFAOYSA-N 0 0 384.480 4.174 20 5 GIBDRN CCOc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000411108173 823547661 /nfs/dbraw/zinc/54/76/61/823547661.db2.gz ITSCBUAUXAPAJW-FUHWJXTLSA-N 0 0 398.459 4.410 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCc2cc3ccccc3o2)cc1SC ZINC000123950006 823554471 /nfs/dbraw/zinc/55/44/71/823554471.db2.gz SNYFTSIOAPZHIL-UHFFFAOYSA-N 0 0 386.429 4.044 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000411175397 823554568 /nfs/dbraw/zinc/55/45/68/823554568.db2.gz CYUQBKBTZAPTOF-OAHLLOKOSA-N 0 0 389.477 4.115 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460984332 823555854 /nfs/dbraw/zinc/55/58/54/823555854.db2.gz VQFLHFRECYTGJE-OAHLLOKOSA-N 0 0 379.254 4.070 20 5 GIBDRN CCC(CC)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccs1 ZINC000123963929 823556016 /nfs/dbraw/zinc/55/60/16/823556016.db2.gz YNQBZXQXRXDOND-QGZVFWFLSA-N 0 0 389.477 4.197 20 5 GIBDRN C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@H]1C ZINC000461020469 823560289 /nfs/dbraw/zinc/56/02/89/823560289.db2.gz DSIARQSWCDJXLS-KBPBESRZSA-N 0 0 383.477 4.198 20 5 GIBDRN CCN(CC1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461025379 823561182 /nfs/dbraw/zinc/56/11/82/823561182.db2.gz QATVULLSUFSTRN-UHFFFAOYSA-N 0 0 383.477 4.199 20 5 GIBDRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000060854933 823562551 /nfs/dbraw/zinc/56/25/51/823562551.db2.gz KHFKWBMRFYBBQU-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CCN(CC)c1ccc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000060859445 823562801 /nfs/dbraw/zinc/56/28/01/823562801.db2.gz QHKYQWNNCDEIIN-UHFFFAOYSA-N 0 0 392.463 4.214 20 5 GIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411298523 823563080 /nfs/dbraw/zinc/56/30/80/823563080.db2.gz VPOGUNYWDUWSGG-JKSUJKDBSA-N 0 0 394.349 4.256 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1F ZINC000411312920 823564021 /nfs/dbraw/zinc/56/40/21/823564021.db2.gz WMKFBQOGZANKGM-LBPRGKRZSA-N 0 0 386.379 4.251 20 5 GIBDRN CC1CCN(c2ccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2)CC1 ZINC000124092543 823567013 /nfs/dbraw/zinc/56/70/13/823567013.db2.gz CZRAACBDLMHJRT-UHFFFAOYSA-N 0 0 394.475 4.421 20 5 GIBDRN Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Br ZINC000124120854 823569435 /nfs/dbraw/zinc/56/94/35/823569435.db2.gz BDDLGTRFPLRQCF-UHFFFAOYSA-N 0 0 390.237 4.256 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCc4c3cccc4F)cc2[N+](=O)[O-])C1 ZINC000461071631 823570003 /nfs/dbraw/zinc/57/00/03/823570003.db2.gz BPWVJMULULPLGN-AWEZNQCLSA-N 0 0 383.423 4.173 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCSc2ccc(F)cc21 ZINC000190422154 823571460 /nfs/dbraw/zinc/57/14/60/823571460.db2.gz RWVLKPDXHHRVPV-UHFFFAOYSA-N 0 0 385.420 4.287 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000124196359 823576501 /nfs/dbraw/zinc/57/65/01/823576501.db2.gz DOFKFNBRXLOABJ-UHFFFAOYSA-N 0 0 399.472 4.113 20 5 GIBDRN CCOc1cc(NC(=O)COc2cc(C)ccc2C)c([N+](=O)[O-])cc1OCC ZINC000061125120 823579175 /nfs/dbraw/zinc/57/91/75/823579175.db2.gz OHADNHNOGGGKTG-UHFFFAOYSA-N 0 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Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000411595025 823589719 /nfs/dbraw/zinc/58/97/19/823589719.db2.gz LAACNGADDGPLQE-LEWJYISDSA-N 0 0 394.471 4.385 20 5 GIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000190615098 823591964 /nfs/dbraw/zinc/59/19/64/823591964.db2.gz VRAMTMKQBFGCDO-WFASDCNBSA-N 0 0 399.285 4.071 20 5 GIBDRN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccc([N+](=O)[O-])s1 ZINC000061336349 823592101 /nfs/dbraw/zinc/59/21/01/823592101.db2.gz OQKJVHDKGZLDMG-UHFFFAOYSA-N 0 0 380.425 4.188 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461188733 823595410 /nfs/dbraw/zinc/59/54/10/823595410.db2.gz SLCCWMOXYFNVRC-UHFFFAOYSA-N 0 0 393.365 4.169 20 5 GIBDRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccccc1[N+](=O)[O-] ZINC000461191819 823595940 /nfs/dbraw/zinc/59/59/40/823595940.db2.gz YTMOWCDYFWHBFL-UHFFFAOYSA-N 0 0 378.350 4.465 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 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CCCc1nsc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000461740299 823690032 /nfs/dbraw/zinc/69/00/32/823690032.db2.gz TVBLVPZVZSFHDX-UHFFFAOYSA-N 0 0 384.417 4.443 20 5 GIBDRN O=C(CN1CCC(OC2CCCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000125635838 823692157 /nfs/dbraw/zinc/69/21/57/823692157.db2.gz KHDIOOYXTDUOTD-UHFFFAOYSA-N 0 0 395.887 4.000 20 5 GIBDRN Cn1ccnc1C(=O)c1ccc(NCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000063736103 823692677 /nfs/dbraw/zinc/69/26/77/823692677.db2.gz UWRBTGHYQLVERV-UHFFFAOYSA-N 0 0 386.411 4.325 20 5 GIBDRN Cc1cc(NC[C@@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773169 823693946 /nfs/dbraw/zinc/69/39/46/823693946.db2.gz FHGDFOAUXIXXLH-JTQLQIEISA-N 0 0 385.308 4.218 20 5 GIBDRN Cc1cc(NC2CCN(CC(F)(F)F)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461786106 823695111 /nfs/dbraw/zinc/69/51/11/823695111.db2.gz LVHRHMGISVWTAG-UHFFFAOYSA-N 0 0 385.308 4.361 20 5 GIBDRN CCCc1cccc(C(C)C)c1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000191551808 823698689 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384.358 4.101 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC)c2ccc(F)cc2F)cc1OC ZINC000125766428 823705940 /nfs/dbraw/zinc/70/59/40/823705940.db2.gz AAEXNZHXGZTWHS-HNNXBMFYSA-N 0 0 394.374 4.161 20 5 GIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC000461838235 823708822 /nfs/dbraw/zinc/70/88/22/823708822.db2.gz NLPFDTPVZNNGMT-LJQANCHMSA-N 0 0 393.447 4.190 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000191601505 823709285 /nfs/dbraw/zinc/70/92/85/823709285.db2.gz MGFRIFCDXLYGJG-MRXNPFEDSA-N 0 0 376.844 4.126 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000191601519 823709338 /nfs/dbraw/zinc/70/93/38/823709338.db2.gz MGFRIFCDXLYGJG-INIZCTEOSA-N 0 0 376.844 4.126 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000063938628 823716152 /nfs/dbraw/zinc/71/61/52/823716152.db2.gz NCAHLPHVYOXPJU-UHFFFAOYSA-N 0 0 387.439 4.088 20 5 GIBDRN 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ZINC000461866857 823728155 /nfs/dbraw/zinc/72/81/55/823728155.db2.gz MRFDQRSREGSRPF-IHWYPQMZSA-N 0 0 391.383 4.060 20 5 GIBDRN COCCOCc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000461872401 823731538 /nfs/dbraw/zinc/73/15/38/823731538.db2.gz SZYQEZPAWMFUIP-UHFFFAOYSA-N 0 0 395.253 4.132 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000125861579 823731718 /nfs/dbraw/zinc/73/17/18/823731718.db2.gz UDMFVNPJUQKPSS-UHFFFAOYSA-N 0 0 399.422 4.167 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000413242580 823736607 /nfs/dbraw/zinc/73/66/07/823736607.db2.gz WUNKGBGBSPWIEU-WFASDCNBSA-N 0 0 385.317 4.480 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)c2cccnc21 ZINC000413258075 823739715 /nfs/dbraw/zinc/73/97/15/823739715.db2.gz DMBUNPAUVWNUFK-LLVKDONJSA-N 0 0 391.353 4.269 20 5 GIBDRN O=C(Nc1ccc(Cl)c2cccnc12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000574482358 823742567 /nfs/dbraw/zinc/74/25/67/823742567.db2.gz 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ZINC000171010670 824036579 /nfs/dbraw/zinc/03/65/79/824036579.db2.gz YDWJWVMICIWUHY-UHFFFAOYSA-N 0 0 397.456 4.253 20 5 GIBDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)N2 ZINC000171048399 824046857 /nfs/dbraw/zinc/04/68/57/824046857.db2.gz CPCPFGFPXQDXKJ-LJQANCHMSA-N 0 0 379.372 4.060 20 5 GIBDRN CSc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1[N+](=O)[O-] ZINC000171050936 824048146 /nfs/dbraw/zinc/04/81/46/824048146.db2.gz AVAVMMMFSZITJH-UHFFFAOYSA-N 0 0 395.444 4.232 20 5 GIBDRN CS[C@@H](C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000576031674 824054005 /nfs/dbraw/zinc/05/40/05/824054005.db2.gz JFVPXEMRGCRFGL-GOSISDBHSA-N 0 0 382.445 4.132 20 5 GIBDRN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000192642056 824054140 /nfs/dbraw/zinc/05/41/40/824054140.db2.gz YRWJWDCUVCWWON-UHFFFAOYSA-N 0 0 392.337 4.296 20 5 GIBDRN Cc1nn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000008986247 209136040 /nfs/dbraw/zinc/13/60/40/209136040.db2.gz 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397.337 4.378 20 5 GIBDRN CCc1ccc2c(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000006011927 817640015 /nfs/dbraw/zinc/64/00/15/817640015.db2.gz HWMVGPYHQMGEJY-UHFFFAOYSA-N 0 0 387.775 4.274 20 5 GIBDRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N[C@@H]1CCCc2ccccc21 ZINC000006027858 817641724 /nfs/dbraw/zinc/64/17/24/817641724.db2.gz IRGURPQSHXOZRC-OAHLLOKOSA-N 0 0 399.497 4.490 20 5 GIBDRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cc(F)ccc1F ZINC000006027854 817641820 /nfs/dbraw/zinc/64/18/20/817641820.db2.gz DDVZHAFFQCPULK-UHFFFAOYSA-N 0 0 381.385 4.214 20 5 GIBDRN Cc1ccccc1CN(C)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000006028029 817641834 /nfs/dbraw/zinc/64/18/34/817641834.db2.gz ACUMJBFIFQVYRD-UHFFFAOYSA-N 0 0 387.486 4.264 20 5 GIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176716727 823275903 /nfs/dbraw/zinc/27/59/03/823275903.db2.gz CMIGXDZVDUFBHX-AWEZNQCLSA-N 0 0 396.447 4.443 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000006061749 817646609 /nfs/dbraw/zinc/64/66/09/817646609.db2.gz UTNYRTHICDNVJE-UHFFFAOYSA-N 0 0 376.412 4.203 20 5 GIBDRN Nn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl ZINC000006251244 817670269 /nfs/dbraw/zinc/67/02/69/817670269.db2.gz FIJOVSYPZLBBQL-UHFFFAOYSA-N 0 0 396.259 4.166 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000006290488 817672787 /nfs/dbraw/zinc/67/27/87/817672787.db2.gz TVBBTDGXNYBHJP-UHFFFAOYSA-N 0 0 378.384 4.288 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000006290738 817673370 /nfs/dbraw/zinc/67/33/70/817673370.db2.gz KLAGLBWXDHGXCL-JTQLQIEISA-N 0 0 399.230 4.166 20 5 GIBDRN COCc1c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)sc2cccc(F)c21 ZINC000121938439 823280724 /nfs/dbraw/zinc/28/07/24/823280724.db2.gz KWDODVAIXNEPNB-UHFFFAOYSA-N 0 0 386.404 4.298 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000176735192 823281101 /nfs/dbraw/zinc/28/11/01/823281101.db2.gz ORVOFPKADHRQMQ-OAHLLOKOSA-N 0 0 381.432 4.169 20 5 GIBDRN Cn1c2ccccc2nc1-c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000057357198 823281641 /nfs/dbraw/zinc/28/16/41/823281641.db2.gz RYVCQBJTBFDLMP-UHFFFAOYSA-N 0 0 386.411 4.330 20 5 GIBDRN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006506283 817698568 /nfs/dbraw/zinc/69/85/68/817698568.db2.gz SDKARFAKYXOISB-VIFPVBQESA-N 0 0 376.825 4.244 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000006535692 817702204 /nfs/dbraw/zinc/70/22/04/817702204.db2.gz QIGBWOUTSHLCAK-KRWDZBQOSA-N 0 0 378.388 4.012 20 5 GIBDRN O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000006539746 817702277 /nfs/dbraw/zinc/70/22/77/817702277.db2.gz IYOCBGOTHPAXRJ-UHFFFAOYSA-N 0 0 396.424 4.022 20 5 GIBDRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000006537167 817702284 /nfs/dbraw/zinc/70/22/84/817702284.db2.gz HFMRVOLDOVJEOC-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCc3cccc(OC(F)F)c32)cc1[N+](=O)[O-] ZINC000057362811 823282549 /nfs/dbraw/zinc/28/25/49/823282549.db2.gz WTSOTPAYPZYDJH-UHFFFAOYSA-N 0 0 392.358 4.188 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc(-c2cccs2)o1 ZINC000006841912 817718937 /nfs/dbraw/zinc/71/89/37/817718937.db2.gz CJKCBONTXBPALX-MRVPVSSYSA-N 0 0 379.781 4.278 20 5 GIBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000176744304 823283178 /nfs/dbraw/zinc/28/31/78/823283178.db2.gz ZBYSGPKKWVXXFG-KRWDZBQOSA-N 0 0 388.851 4.112 20 5 GIBDRN Cc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006914936 817725355 /nfs/dbraw/zinc/72/53/55/817725355.db2.gz CCWVDNTWNMKPBP-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000176751879 823284313 /nfs/dbraw/zinc/28/43/13/823284313.db2.gz MTDYKZXAEREMDG-YCRPNKLZSA-N 0 0 393.443 4.150 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000007035881 817743616 /nfs/dbraw/zinc/74/36/16/817743616.db2.gz QMFLLINEYYGROG-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000007035766 817743628 /nfs/dbraw/zinc/74/36/28/817743628.db2.gz LKZSDAUWDGHNFG-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000007035695 817743714 /nfs/dbraw/zinc/74/37/14/817743714.db2.gz LBDSNTASMNZCQT-UHFFFAOYSA-N 0 0 390.395 4.366 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)c1 ZINC000007044807 817745897 /nfs/dbraw/zinc/74/58/97/817745897.db2.gz UYGVQTVHWJPJAZ-IBGZPJMESA-N 0 0 377.400 4.365 20 5 GIBDRN Cc1cccc(OCCC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000007085800 817756015 /nfs/dbraw/zinc/75/60/15/817756015.db2.gz HUZQVDWFBJTFAD-CQSZACIVSA-N 0 0 397.387 4.027 20 5 GIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(OC(F)F)cc1 ZINC000007108039 817761133 /nfs/dbraw/zinc/76/11/33/817761133.db2.gz VAQKRIJPEPXDIC-VIFPVBQESA-N 0 0 399.733 4.278 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007108618 817761780 /nfs/dbraw/zinc/76/17/80/817761780.db2.gz MFUNGSRDZGHKRU-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1 ZINC000007159818 817775012 /nfs/dbraw/zinc/77/50/12/817775012.db2.gz HTYRLJURHLCMGL-UHFFFAOYSA-N 0 0 398.444 4.301 20 5 GIBDRN O=C(OCc1ccc2ccccc2n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000007186151 817785480 /nfs/dbraw/zinc/78/54/80/817785480.db2.gz GRBINYYZZMPDOV-UHFFFAOYSA-N 0 0 391.427 4.103 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000176769661 823288834 /nfs/dbraw/zinc/28/88/34/823288834.db2.gz MIHSFCNQTQQTIR-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)s1 ZINC000409716905 823289507 /nfs/dbraw/zinc/28/95/07/823289507.db2.gz NFGRKGUCDGSNHN-ZDUSSCGKSA-N 0 0 391.497 4.331 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007339850 817820290 /nfs/dbraw/zinc/82/02/90/817820290.db2.gz FTNLONHNQWFXCK-IBGZPJMESA-N 0 0 385.420 4.113 20 5 GIBDRN COCCn1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c2ccccc21 ZINC000057436762 823297411 /nfs/dbraw/zinc/29/74/11/823297411.db2.gz RRUMEQBAVBMOFG-UHFFFAOYSA-N 0 0 395.459 4.247 20 5 GIBDRN COc1c(-c2nc(Cc3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000572162141 823292399 /nfs/dbraw/zinc/29/23/99/823292399.db2.gz GMWMLBQGCDIVHC-UHFFFAOYSA-N 0 0 390.193 4.007 20 5 GIBDRN Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000007442905 817843303 /nfs/dbraw/zinc/84/33/03/817843303.db2.gz NXZAKWTYJJQQPW-UHFFFAOYSA-N 0 0 392.411 4.500 20 5 GIBDRN Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])[NH+]2CCCC2)cc1 ZINC000572164259 823293090 /nfs/dbraw/zinc/29/30/90/823293090.db2.gz XLZPFZDUNLQYOO-FQEVSTJZSA-N 0 0 383.448 4.159 20 5 GIBDRN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000007481521 817851854 /nfs/dbraw/zinc/85/18/54/817851854.db2.gz XBXOTCWFFHFFLP-UHFFFAOYSA-N 0 0 376.368 4.057 20 5 GIBDRN C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000007555735 817868512 /nfs/dbraw/zinc/86/85/12/817868512.db2.gz YXQZOBMIDYHXDB-SNVBAGLBSA-N 0 0 380.267 4.405 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000007606759 817878746 /nfs/dbraw/zinc/87/87/46/817878746.db2.gz RZFHLRYCEBMKGL-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000007658113 817889904 /nfs/dbraw/zinc/88/99/04/817889904.db2.gz PYXOJYAVAFQZPZ-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000007684631 817894149 /nfs/dbraw/zinc/89/41/49/817894149.db2.gz FJYLUQITNVCPGQ-UHFFFAOYSA-N 0 0 395.289 4.092 20 5 GIBDRN Cc1c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176804321 823297065 /nfs/dbraw/zinc/29/70/65/823297065.db2.gz REZOXXXIGAASLM-UHFFFAOYSA-N 0 0 382.332 4.082 20 5 GIBDRN COCCN(C(=O)/C=C/c1ccco1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000007756220 817908489 /nfs/dbraw/zinc/90/84/89/817908489.db2.gz XIKIHXKCSZXFGI-CMDGGOBGSA-N 0 0 399.428 4.004 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000007770188 817912316 /nfs/dbraw/zinc/91/23/16/817912316.db2.gz UZRIVPGIVZHGLT-UHFFFAOYSA-N 0 0 387.461 4.084 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000007772632 817912895 /nfs/dbraw/zinc/91/28/95/817912895.db2.gz HAIKHAJBVAKCQO-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)COc1ccccc1Cc1ccccc1 ZINC000007791281 817915828 /nfs/dbraw/zinc/91/58/28/817915828.db2.gz VFLLDTQQXHDLPQ-UHFFFAOYSA-N 0 0 393.395 4.179 20 5 GIBDRN CCN(Cc1ccccc1)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000007798029 817918342 /nfs/dbraw/zinc/91/83/42/817918342.db2.gz HDYGRCAOUHZDJZ-UHFFFAOYSA-N 0 0 387.486 4.345 20 5 GIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N(C)Cc1ccccc1 ZINC000007797887 817918378 /nfs/dbraw/zinc/91/83/78/817918378.db2.gz ZQJDTJMEVZNAEG-GFCCVEGCSA-N 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ZINC000572399660 823332830 /nfs/dbraw/zinc/33/28/30/823332830.db2.gz SYRPBUBHYAUIKU-UHFFFAOYSA-N 0 0 396.472 4.057 20 5 GIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015990528 818382043 /nfs/dbraw/zinc/38/20/43/818382043.db2.gz POJRBVAADUZSRA-UHFFFAOYSA-N 0 0 384.175 4.082 20 5 GIBDRN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015990072 818382190 /nfs/dbraw/zinc/38/21/90/818382190.db2.gz BDLBLHVAFFIFLY-UHFFFAOYSA-N 0 0 383.629 4.283 20 5 GIBDRN Cc1cccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 ZINC000016014877 818384743 /nfs/dbraw/zinc/38/47/43/818384743.db2.gz AWWYRMYKWGJTBC-UHFFFAOYSA-N 0 0 380.404 4.004 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1 ZINC000016026587 818386201 /nfs/dbraw/zinc/38/62/01/818386201.db2.gz DGWNWDJDNUKKPL-UHFFFAOYSA-N 0 0 397.412 4.147 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccoc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016157150 818399119 /nfs/dbraw/zinc/39/91/19/818399119.db2.gz 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C[C@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016537445 818451933 /nfs/dbraw/zinc/45/19/33/818451933.db2.gz KIUCOOAYSDUROH-ZDUSSCGKSA-N 0 0 380.356 4.039 20 5 GIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000016632382 818461295 /nfs/dbraw/zinc/46/12/95/818461295.db2.gz KCLULVSVRVEYIC-NSHDSACASA-N 0 0 382.247 4.361 20 5 GIBDRN CC(C)(NC(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000176986780 823342945 /nfs/dbraw/zinc/34/29/45/823342945.db2.gz ADAODOBMYJABCU-UHFFFAOYSA-N 0 0 377.784 4.034 20 5 GIBDRN O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000016700289 818465204 /nfs/dbraw/zinc/46/52/04/818465204.db2.gz IJDUXVUZEKYYGK-UHFFFAOYSA-N 0 0 390.321 4.111 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000016735887 818471125 /nfs/dbraw/zinc/47/11/25/818471125.db2.gz YIDRITCYLRTPHZ-CQSZACIVSA-N 0 0 398.893 4.072 20 5 GIBDRN CN(Cc1cnn(-c2ccccc2)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000016878140 818486519 /nfs/dbraw/zinc/48/65/19/818486519.db2.gz RNRUEDYSBVBJJX-UHFFFAOYSA-N 0 0 395.444 4.147 20 5 GIBDRN O=C(NCc1cccnc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000017168721 818502909 /nfs/dbraw/zinc/50/29/09/818502909.db2.gz GKIKDMIJTGGYSK-UHFFFAOYSA-N 0 0 396.834 4.185 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000017319995 818509105 /nfs/dbraw/zinc/50/91/05/818509105.db2.gz GPIGUOACQCXWFW-UHFFFAOYSA-N 0 0 396.515 4.183 20 5 GIBDRN CCc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000122345955 823341656 /nfs/dbraw/zinc/34/16/56/823341656.db2.gz SNLHOBKSGHGKRH-UHFFFAOYSA-N 0 0 382.338 4.028 20 5 GIBDRN Cc1cccc(NC(=O)CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C ZINC000018041460 818541103 /nfs/dbraw/zinc/54/11/03/818541103.db2.gz NRLNJAASDRBETD-UHFFFAOYSA-N 0 0 397.456 4.137 20 5 GIBDRN CC(C)(NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000176995665 823345411 /nfs/dbraw/zinc/34/54/11/823345411.db2.gz NFDOKXPKDAUDFT-UHFFFAOYSA-N 0 0 382.420 4.000 20 5 GIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174453 818554130 /nfs/dbraw/zinc/55/41/30/818554130.db2.gz RSJDLHWHOFETRN-UHFFFAOYSA-N 0 0 397.218 4.004 20 5 GIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1ncc(Cl)n1C ZINC000018375404 818566420 /nfs/dbraw/zinc/56/64/20/818566420.db2.gz HHUFXWZUJHDAKJ-UHFFFAOYSA-N 0 0 384.892 4.249 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000460304999 823346835 /nfs/dbraw/zinc/34/68/35/823346835.db2.gz KUFGLSSPANMMLH-RYUDHWBXSA-N 0 0 376.409 4.029 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000020058603 818612756 /nfs/dbraw/zinc/61/27/56/818612756.db2.gz LHZPWBHZFMMEAZ-OVCLIPMQSA-N 0 0 393.443 4.309 20 5 GIBDRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000460321025 823352421 /nfs/dbraw/zinc/35/24/21/823352421.db2.gz LRWRINWCONAZGO-CQSZACIVSA-N 0 0 391.265 4.451 20 5 GIBDRN COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000057951062 823350087 /nfs/dbraw/zinc/35/00/87/823350087.db2.gz NIRGIQOFSGXLSO-LBPRGKRZSA-N 0 0 399.428 4.133 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000460313584 823350084 /nfs/dbraw/zinc/35/00/84/823350084.db2.gz GXUNWYBVGOFAHT-LBPRGKRZSA-N 0 0 399.401 4.275 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000177017245 823350115 /nfs/dbraw/zinc/35/01/15/823350115.db2.gz PFWHJBLFSODBAU-CQSZACIVSA-N 0 0 376.416 4.038 20 5 GIBDRN C[C@@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021239147 818667901 /nfs/dbraw/zinc/66/79/01/818667901.db2.gz CTXAQUSRZQLJCR-CYBMUJFWSA-N 0 0 390.823 4.063 20 5 GIBDRN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000021348242 818679051 /nfs/dbraw/zinc/67/90/51/818679051.db2.gz QDRUAVNNBKVTMS-AWEZNQCLSA-N 0 0 384.432 4.005 20 5 GIBDRN CC(F)(F)c1ccc(-c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1 ZINC000572505992 823351140 /nfs/dbraw/zinc/35/11/40/823351140.db2.gz NQQXJESQGJKVSK-UHFFFAOYSA-N 0 0 389.314 4.195 20 5 GIBDRN Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n(CC(C)C)c1C ZINC000021432508 818686339 /nfs/dbraw/zinc/68/63/39/818686339.db2.gz HHYJNQWWMPAREE-AWEZNQCLSA-N 0 0 376.482 4.183 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000409979687 823361107 /nfs/dbraw/zinc/36/11/07/823361107.db2.gz MBQSIJRSIVWZSL-UHFFFAOYSA-N 0 0 395.440 4.398 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122459497 823357519 /nfs/dbraw/zinc/35/75/19/823357519.db2.gz KOKQASZKTMFYFN-FOIQADDNSA-N 0 0 392.521 4.110 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000122460154 823357856 /nfs/dbraw/zinc/35/78/56/823357856.db2.gz KOKQASZKTMFYFN-YWZLYKJASA-N 0 0 392.521 4.110 20 5 GIBDRN C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021637351 818718682 /nfs/dbraw/zinc/71/86/82/818718682.db2.gz INVPVDMJABQWFF-QMMMGPOBSA-N 0 0 389.330 4.267 20 5 GIBDRN CN(C[C@@H]1OCCc2ccccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000572545513 823358277 /nfs/dbraw/zinc/35/82/77/823358277.db2.gz UHRFBLUQDBUZRH-KRWDZBQOSA-N 0 0 377.238 4.108 20 5 GIBDRN Cc1sc2ncnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000021682283 818725437 /nfs/dbraw/zinc/72/54/37/818725437.db2.gz ALORIQCUCLVKKW-LLVKDONJSA-N 0 0 388.474 4.336 20 5 GIBDRN CC(=O)N(c1nc(COc2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000021712709 818729370 /nfs/dbraw/zinc/72/93/70/818729370.db2.gz ZQXWCKWEOYNXKR-UHFFFAOYSA-N 0 0 387.392 4.454 20 5 GIBDRN COc1ccc(C(=O)Nc2nc3c(cccc3C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000021769141 818736265 /nfs/dbraw/zinc/73/62/65/818736265.db2.gz CILFKZPWKMMEQQ-UHFFFAOYSA-N 0 0 397.334 4.484 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000058072893 823359686 /nfs/dbraw/zinc/35/96/86/823359686.db2.gz STXXONQSMBUHIA-SFHVURJKSA-N 0 0 383.448 4.078 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000177061930 823362367 /nfs/dbraw/zinc/36/23/67/823362367.db2.gz JTDCXKQWYAOAIU-INIZCTEOSA-N 0 0 395.337 4.219 20 5 GIBDRN Cc1c(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cccc1[N+](=O)[O-] ZINC000022370854 818798164 /nfs/dbraw/zinc/79/81/64/818798164.db2.gz BNQJNNGLYBISLZ-UHFFFAOYSA-N 0 0 382.397 4.436 20 5 GIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022468484 818810959 /nfs/dbraw/zinc/81/09/59/818810959.db2.gz SSVTVPIYCQCNCP-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000022480310 818814845 /nfs/dbraw/zinc/81/48/45/818814845.db2.gz AIKJCYPCYCYOGU-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cc1SC ZINC000122512205 823365539 /nfs/dbraw/zinc/36/55/39/823365539.db2.gz JBXJAUYRXNZGIS-BUXKBTBVSA-N 0 0 386.473 4.379 20 5 GIBDRN CCCO[C@H]1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000122515076 823365875 /nfs/dbraw/zinc/36/58/75/823365875.db2.gz NMBJIPOWWZMWGU-AWEZNQCLSA-N 0 0 399.285 4.087 20 5 GIBDRN COc1ccccc1[C@@H](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460368613 823365951 /nfs/dbraw/zinc/36/59/51/823365951.db2.gz ZANMYBZXJLLBHO-VBKZILBWSA-N 0 0 386.473 4.371 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000022590420 818830824 /nfs/dbraw/zinc/83/08/24/818830824.db2.gz PTWPSCCLBVMSAN-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN O=C(CCCOc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000058099709 823361670 /nfs/dbraw/zinc/36/16/70/823361670.db2.gz AYEPDNGJAIOGGY-UHFFFAOYSA-N 0 0 397.200 4.294 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000022736483 818853904 /nfs/dbraw/zinc/85/39/04/818853904.db2.gz QSPLKNHCDGWJNL-CYBMUJFWSA-N 0 0 390.823 4.357 20 5 GIBDRN CCOc1ccccc1Nc1nnc(Sc2ncccc2[N+](=O)[O-])s1 ZINC000022799398 818862374 /nfs/dbraw/zinc/86/23/74/818862374.db2.gz UTTPPLBCFIILIP-UHFFFAOYSA-N 0 0 375.435 4.135 20 5 GIBDRN Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC000022864146 818868057 /nfs/dbraw/zinc/86/80/57/818868057.db2.gz CGLUSXVDGUSYJQ-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000022911051 818875702 /nfs/dbraw/zinc/87/57/02/818875702.db2.gz UOMVNKYHPRVZFR-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022940844 818879007 /nfs/dbraw/zinc/87/90/07/818879007.db2.gz WXXLQPFSPLORKG-JTQLQIEISA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000023052298 818893274 /nfs/dbraw/zinc/89/32/74/818893274.db2.gz RVUGKZXXLDAYTL-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000023082911 818896473 /nfs/dbraw/zinc/89/64/73/818896473.db2.gz RYUFXVAKJMXPHC-CQSZACIVSA-N 0 0 382.445 4.208 20 5 GIBDRN Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000023131950 818902340 /nfs/dbraw/zinc/90/23/40/818902340.db2.gz GAUKBGONSVTONA-GFCCVEGCSA-N 0 0 385.397 4.096 20 5 GIBDRN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000410016545 823372003 /nfs/dbraw/zinc/37/20/03/823372003.db2.gz UXQYRQPRVNZQIV-UHFFFAOYSA-N 0 0 392.799 4.082 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1[N+](=O)[O-] ZINC000177123460 823376661 /nfs/dbraw/zinc/37/66/61/823376661.db2.gz FEKZQRBSFAZVPT-UHFFFAOYSA-N 0 0 391.362 4.233 20 5 GIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023666995 818971733 /nfs/dbraw/zinc/97/17/33/818971733.db2.gz NNTGVIAWAFPSFP-JTQLQIEISA-N 0 0 383.782 4.158 20 5 GIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023666991 818971919 /nfs/dbraw/zinc/97/19/19/818971919.db2.gz NNTGVIAWAFPSFP-SNVBAGLBSA-N 0 0 383.782 4.158 20 5 GIBDRN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000023754137 818979970 /nfs/dbraw/zinc/97/99/70/818979970.db2.gz XSYMHMJONVKQAO-AWEZNQCLSA-N 0 0 379.372 4.188 20 5 GIBDRN O=C(CCN1CCc2c(ccc(Cl)c2Cl)C1)Nc1ccccc1[N+](=O)[O-] ZINC000572664356 823378124 /nfs/dbraw/zinc/37/81/24/823378124.db2.gz BZOBPCZTNIWWKY-UHFFFAOYSA-N 0 0 394.258 4.289 20 5 GIBDRN COc1ccc(CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000023925604 818994304 /nfs/dbraw/zinc/99/43/04/818994304.db2.gz KLRPEYLBZHEKGR-CQSZACIVSA-N 0 0 386.473 4.275 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3C[C@H]4CCC[C@H]43)n2CCc2ccccc2)c1 ZINC000460410111 823379806 /nfs/dbraw/zinc/37/98/06/823379806.db2.gz IXBNZWFHOFJYHT-UYAOXDASSA-N 0 0 389.459 4.085 20 5 GIBDRN C[C@@H](C1CC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000572690940 823383904 /nfs/dbraw/zinc/38/39/04/823383904.db2.gz HNIJQWPDKMZQAO-HNNXBMFYSA-N 0 0 377.448 4.136 20 5 GIBDRN CCCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000024106551 819025325 /nfs/dbraw/zinc/02/53/25/819025325.db2.gz IPYMPPYJSOBCIR-UHFFFAOYSA-N 0 0 377.466 4.224 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2cc(F)ccc2s1 ZINC000572678598 823380845 /nfs/dbraw/zinc/38/08/45/823380845.db2.gz YOUOJTWOCSNCGN-UHFFFAOYSA-N 0 0 383.404 4.402 20 5 GIBDRN O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc2ccccc2c2cccnc12 ZINC000177146305 823382284 /nfs/dbraw/zinc/38/22/84/823382284.db2.gz VWHKIUKINRXWMH-UHFFFAOYSA-N 0 0 397.356 4.364 20 5 GIBDRN COc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000024441614 819056898 /nfs/dbraw/zinc/05/68/98/819056898.db2.gz NYYGALMHBXYSLJ-UHFFFAOYSA-N 0 0 398.440 4.027 20 5 GIBDRN C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCc2sccc21 ZINC000572685699 823382663 /nfs/dbraw/zinc/38/26/63/823382663.db2.gz FBWBHMWFTPOLSN-HXUWFJFHSA-N 0 0 384.457 4.494 20 5 GIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000024465065 819059989 /nfs/dbraw/zinc/05/99/89/819059989.db2.gz VVMHFKIADSHSHS-UHFFFAOYSA-N 0 0 380.809 4.009 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1cccs1)Cc1cccs1 ZINC000024470163 819061686 /nfs/dbraw/zinc/06/16/86/819061686.db2.gz MRMVCNGHOKERRP-UHFFFAOYSA-N 0 0 388.470 4.326 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000024482367 819063108 /nfs/dbraw/zinc/06/31/08/819063108.db2.gz QCEDVFZARGADGM-APWZRJJASA-N 0 0 398.459 4.288 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000410076629 823385024 /nfs/dbraw/zinc/38/50/24/823385024.db2.gz DMZVICIVRZKUKP-CETSPDHXSA-N 0 0 388.851 4.252 20 5 GIBDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177183246 823393787 /nfs/dbraw/zinc/39/37/87/823393787.db2.gz UPUYXTQVSGOLIP-IRXDYDNUSA-N 0 0 381.476 4.120 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000460458425 823396381 /nfs/dbraw/zinc/39/63/81/823396381.db2.gz AKDWLKBUWJLSBO-YOEHRIQHSA-N 0 0 378.494 4.026 20 5 GIBDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c12 ZINC000122698229 823396792 /nfs/dbraw/zinc/39/67/92/823396792.db2.gz WUDRDJMQVAZWLX-UHFFFAOYSA-N 0 0 388.383 4.383 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000460459892 823397011 /nfs/dbraw/zinc/39/70/11/823397011.db2.gz SGLQAYIOSSXPIT-UHFFFAOYSA-N 0 0 383.187 4.234 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000460463668 823398162 /nfs/dbraw/zinc/39/81/62/823398162.db2.gz VOLDFSFKNVSAMN-UHFFFAOYSA-N 0 0 384.779 4.391 20 5 GIBDRN Cc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000058520753 823403122 /nfs/dbraw/zinc/40/31/22/823403122.db2.gz MAVVJWYMVQIVQA-UHFFFAOYSA-N 0 0 392.415 4.199 20 5 GIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000058520748 823403292 /nfs/dbraw/zinc/40/32/92/823403292.db2.gz LVYGOBKAOVWMDE-UHFFFAOYSA-N 0 0 393.447 4.070 20 5 GIBDRN CCCC(=O)Nc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000058530472 823404554 /nfs/dbraw/zinc/40/45/54/823404554.db2.gz QEFGXWROPOCZKA-UHFFFAOYSA-N 0 0 384.436 4.164 20 5 GIBDRN O=C(Nc1ccc(OCc2ccccc2)nc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000058534190 823405566 /nfs/dbraw/zinc/40/55/66/823405566.db2.gz RQVAPTDUCOSRKX-UHFFFAOYSA-N 0 0 388.383 4.302 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000122761802 823407735 /nfs/dbraw/zinc/40/77/35/823407735.db2.gz CBAGLQQBWCOYED-LBPRGKRZSA-N 0 0 378.450 4.034 20 5 GIBDRN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460496989 823408322 /nfs/dbraw/zinc/40/83/22/823408322.db2.gz ZQWWCIBOVDEXGU-NSHDSACASA-N 0 0 383.231 4.028 20 5 GIBDRN CCOc1cc(C(=O)N2CCCCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000460496724 823408352 /nfs/dbraw/zinc/40/83/52/823408352.db2.gz ALZCXUGEHDIALA-UHFFFAOYSA-N 0 0 384.432 4.375 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460496988 823408356 /nfs/dbraw/zinc/40/83/56/823408356.db2.gz ZQWWCIBOVDEXGU-LLVKDONJSA-N 0 0 383.231 4.028 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000410166153 823408434 /nfs/dbraw/zinc/40/84/34/823408434.db2.gz ABTIGJRRLKICBB-SECBINFHSA-N 0 0 394.359 4.495 20 5 GIBDRN Cc1nn(-c2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2)c(C)c1Cl ZINC000460504477 823410744 /nfs/dbraw/zinc/41/07/44/823410744.db2.gz RDINOLVSQMAAGN-UHFFFAOYSA-N 0 0 398.850 4.023 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000460512634 823413837 /nfs/dbraw/zinc/41/38/37/823413837.db2.gz AFHXZCCMFDCAIM-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCc2c(OC(F)F)cccc21 ZINC000572873574 823412282 /nfs/dbraw/zinc/41/22/82/823412282.db2.gz WSUNWTWSSLWBGV-UHFFFAOYSA-N 0 0 382.750 4.443 20 5 GIBDRN O=C(CSc1cccc(C(F)(F)F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000460499783 823409017 /nfs/dbraw/zinc/40/90/17/823409017.db2.gz LCZZZVRGBWLIJL-UHFFFAOYSA-N 0 0 384.379 4.065 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1COc1ccccc1 ZINC000460500401 823409183 /nfs/dbraw/zinc/40/91/83/823409183.db2.gz MQQBIYNEJKGKOO-UHFFFAOYSA-N 0 0 376.412 4.146 20 5 GIBDRN CSc1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)cc1[N+](=O)[O-] ZINC000410173517 823410587 /nfs/dbraw/zinc/41/05/87/823410587.db2.gz YIDPNOFTBBFDOZ-UHFFFAOYSA-N 0 0 380.332 4.030 20 5 GIBDRN CSc1ccc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)cc1[N+](=O)[O-] ZINC000410194310 823415956 /nfs/dbraw/zinc/41/59/56/823415956.db2.gz URWHTWRDFCQYHL-UHFFFAOYSA-N 0 0 382.445 4.278 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@]2(CC=CCC2)C1 ZINC000572900853 823416887 /nfs/dbraw/zinc/41/68/87/823416887.db2.gz DEJVLRZISIPBSI-OAQYLSRUSA-N 0 0 382.464 4.151 20 5 GIBDRN Cc1ccc(CC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000460525710 823419283 /nfs/dbraw/zinc/41/92/83/823419283.db2.gz XYCDKXDWEVWJES-JTQLQIEISA-N 0 0 381.226 4.010 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nc(-c2ccsc2)no1 ZINC000122816135 823417296 /nfs/dbraw/zinc/41/72/96/823417296.db2.gz IUCMHVANYNTXIC-UHFFFAOYSA-N 0 0 382.195 4.048 20 5 GIBDRN C[C@H](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000410212857 823421834 /nfs/dbraw/zinc/42/18/34/823421834.db2.gz XVUNBIMWBWZUGT-CYBMUJFWSA-N 0 0 396.365 4.460 20 5 GIBDRN COc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1 ZINC000460533335 823422251 /nfs/dbraw/zinc/42/22/51/823422251.db2.gz WWKWMYUSMBOKAI-UHFFFAOYSA-N 0 0 393.424 4.296 20 5 GIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189479673 823426542 /nfs/dbraw/zinc/42/65/42/823426542.db2.gz KWIRARPBYLWJOJ-VFNWGFHPSA-N 0 0 388.439 4.027 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(CCC(F)(F)F)cc1 ZINC000122872506 823426821 /nfs/dbraw/zinc/42/68/21/823426821.db2.gz BFIQTYBXLTYXIV-UHFFFAOYSA-N 0 0 378.310 4.218 20 5 GIBDRN CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000024595057 819854590 /nfs/dbraw/zinc/85/45/90/819854590.db2.gz CMEHHDPZFXKGAH-UHFFFAOYSA-N 0 0 384.432 4.132 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1[N+](=O)[O-] ZINC000122917218 823433705 /nfs/dbraw/zinc/43/37/05/823433705.db2.gz HVHQFNAEYFIHHP-AWEZNQCLSA-N 0 0 398.419 4.247 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])OCc1coc(-c2cccs2)n1 ZINC000024886976 819888814 /nfs/dbraw/zinc/88/88/14/819888814.db2.gz ZKNSGHHIHLRERP-UHFFFAOYSA-N 0 0 376.415 4.147 20 5 GIBDRN COCCCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122965016 823440834 /nfs/dbraw/zinc/44/08/34/823440834.db2.gz NQZPMKJPPDSPIQ-UHFFFAOYSA-N 0 0 387.436 4.064 20 5 GIBDRN COc1cc(CN(C)Cc2ccc(F)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000025063936 819918475 /nfs/dbraw/zinc/91/84/75/819918475.db2.gz UMBSXDAAJZOITR-UHFFFAOYSA-N 0 0 388.317 4.115 20 5 GIBDRN CSc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000025295892 819956361 /nfs/dbraw/zinc/95/63/61/819956361.db2.gz AFHNPEVWQMGZFA-SNVBAGLBSA-N 0 0 382.388 4.409 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025325840 819962501 /nfs/dbraw/zinc/96/25/01/819962501.db2.gz XRPBTLLXJCYPHF-IBGZPJMESA-N 0 0 397.450 4.314 20 5 GIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000025373306 819972492 /nfs/dbraw/zinc/97/24/92/819972492.db2.gz CBLHBOSXDWZXOV-UHFFFAOYSA-N 0 0 385.427 4.479 20 5 GIBDRN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1Cl ZINC000025387068 819974361 /nfs/dbraw/zinc/97/43/61/819974361.db2.gz DIVFRGOTKIXJDB-QMMMGPOBSA-N 0 0 383.187 4.121 20 5 GIBDRN C[C@H](C1CC1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025472426 819987944 /nfs/dbraw/zinc/98/79/44/819987944.db2.gz FGYUXANNAWENNX-GFCCVEGCSA-N 0 0 399.413 4.087 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000025531731 819997588 /nfs/dbraw/zinc/99/75/88/819997588.db2.gz AVCUWPCFFFRLNM-UHFFFAOYSA-N 0 0 385.420 4.136 20 5 GIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000189560129 823444293 /nfs/dbraw/zinc/44/42/93/823444293.db2.gz CYZQJNJENKFMAJ-UHFFFAOYSA-N 0 0 399.424 4.370 20 5 GIBDRN COc1ccc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC)cc2)cc1 ZINC000460585781 823444694 /nfs/dbraw/zinc/44/46/94/823444694.db2.gz QQFGCWJSLVXXIQ-UHFFFAOYSA-N 0 0 392.411 4.209 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000025770910 820023942 /nfs/dbraw/zinc/02/39/42/820023942.db2.gz RJJFDHCEIAFNHB-UHFFFAOYSA-N 0 0 397.427 4.189 20 5 GIBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122997826 823445763 /nfs/dbraw/zinc/44/57/63/823445763.db2.gz MOKGPEXJCNYFTI-CRAIPNDOSA-N 0 0 392.814 4.116 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(N2CCc3ccccc32)CC1 ZINC000410278843 823446039 /nfs/dbraw/zinc/44/60/39/823446039.db2.gz ISKYNKKGMOCKIK-UHFFFAOYSA-N 0 0 391.427 4.008 20 5 GIBDRN CNc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000025872279 820033423 /nfs/dbraw/zinc/03/34/23/820033423.db2.gz PWUJFZPZFFWYOY-UHFFFAOYSA-N 0 0 390.399 4.141 20 5 GIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025880248 820035007 /nfs/dbraw/zinc/03/50/07/820035007.db2.gz PZSITNOVTAMQDY-QGZVFWFLSA-N 0 0 392.358 4.086 20 5 GIBDRN Cc1ccc(C(C)(C)CN(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000573100506 823447455 /nfs/dbraw/zinc/44/74/55/823447455.db2.gz CZJFKSABKNNEIT-UHFFFAOYSA-N 0 0 376.403 4.160 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000025907182 820037709 /nfs/dbraw/zinc/03/77/09/820037709.db2.gz DPEOIYXQHMPWFU-SNVBAGLBSA-N 0 0 398.246 4.200 20 5 GIBDRN C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025979636 820046199 /nfs/dbraw/zinc/04/61/99/820046199.db2.gz JYZNSGYDXXRRHL-SNVBAGLBSA-N 0 0 392.387 4.459 20 5 GIBDRN O=C(NC1CCC(C(F)(F)F)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025996926 820048182 /nfs/dbraw/zinc/04/81/82/820048182.db2.gz YSJOPMZAYKQMMA-UHFFFAOYSA-N 0 0 399.413 4.049 20 5 GIBDRN COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000410285037 823448792 /nfs/dbraw/zinc/44/87/92/823448792.db2.gz KPDRHKKIZFORFM-LBPRGKRZSA-N 0 0 383.429 4.218 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1cccnc1C ZINC000573113028 823449198 /nfs/dbraw/zinc/44/91/98/823449198.db2.gz BCQDPLIQZWEXBH-UHFFFAOYSA-N 0 0 378.226 4.036 20 5 GIBDRN CCn1c2ccccc2nc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000026224327 820071418 /nfs/dbraw/zinc/07/14/18/820071418.db2.gz PNCNEBOBYAGBOV-UHFFFAOYSA-N 0 0 384.461 4.394 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346418 820086284 /nfs/dbraw/zinc/08/62/84/820086284.db2.gz QGLRROODPNFJSX-NSHDSACASA-N 0 0 382.247 4.361 20 5 GIBDRN C[C@H](NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000026348249 820087304 /nfs/dbraw/zinc/08/73/04/820087304.db2.gz XOAVPAQYFWYXHP-INIZCTEOSA-N 0 0 377.444 4.057 20 5 GIBDRN C[C@H](c1cccs1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000026352129 820088073 /nfs/dbraw/zinc/08/80/73/820088073.db2.gz CURNQHUGFLWEGU-OAHLLOKOSA-N 0 0 376.481 4.436 20 5 GIBDRN Cc1cccc(-c2nnc([C@@H](C)OC(=O)CSc3ccccc3[N+](=O)[O-])o2)c1 ZINC000026565685 820114436 /nfs/dbraw/zinc/11/44/36/820114436.db2.gz RJMPOEKJPIAVDR-CYBMUJFWSA-N 0 0 399.428 4.350 20 5 GIBDRN CCC(CC)c1nnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000026562815 820114661 /nfs/dbraw/zinc/11/46/61/820114661.db2.gz QGIGZEWGSNJZFD-JTQLQIEISA-N 0 0 380.495 4.469 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(C2CC2)n1Cc1ccccc1)C1CC1 ZINC000573147448 823455623 /nfs/dbraw/zinc/45/56/23/823455623.db2.gz RZEXFIMROGEPEE-UHFFFAOYSA-N 0 0 389.459 4.281 20 5 GIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc2ccccc2c1 ZINC000026766166 820141648 /nfs/dbraw/zinc/14/16/48/820141648.db2.gz XWXJVCYYYUUQEE-UHFFFAOYSA-N 0 0 392.367 4.042 20 5 GIBDRN C[C@H](Sc1ncnc2ccsc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000026955735 820169447 /nfs/dbraw/zinc/16/94/47/820169447.db2.gz QYEZUTMVQOPBLH-QMMMGPOBSA-N 0 0 394.865 4.372 20 5 GIBDRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000189619161 823460002 /nfs/dbraw/zinc/46/00/02/823460002.db2.gz GBAMENZZWHXSFD-UHFFFAOYSA-N 0 0 382.313 4.214 20 5 GIBDRN CCCOc1cccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000027068462 820188417 /nfs/dbraw/zinc/18/84/17/820188417.db2.gz DUGOGUYTULZDBD-UHFFFAOYSA-N 0 0 396.346 4.246 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Sc2nc3cc(F)c(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000027081228 820191276 /nfs/dbraw/zinc/19/12/76/820191276.db2.gz COUKTKWSZXLTBN-VIFPVBQESA-N 0 0 392.387 4.177 20 5 GIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000573174712 823460425 /nfs/dbraw/zinc/46/04/25/823460425.db2.gz GKTDRZPCIGAFKY-UHFFFAOYSA-N 0 0 383.173 4.147 20 5 GIBDRN COc1cc(CN(Cc2cccs2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027109082 820195298 /nfs/dbraw/zinc/19/52/98/820195298.db2.gz VOHTYTCJCZNWEP-UHFFFAOYSA-N 0 0 384.404 4.431 20 5 GIBDRN Cc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000189621873 823460701 /nfs/dbraw/zinc/46/07/01/823460701.db2.gz FDPVNNYTNPXEFU-UHFFFAOYSA-N 0 0 378.350 4.384 20 5 GIBDRN Cc1ccccc1NC(=O)Cc1nc(COc2cccc([N+](=O)[O-])c2)cs1 ZINC000058832950 823460922 /nfs/dbraw/zinc/46/09/22/823460922.db2.gz AZPSRZNXMAARIC-UHFFFAOYSA-N 0 0 383.429 4.120 20 5 GIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000123103065 823462782 /nfs/dbraw/zinc/46/27/82/823462782.db2.gz JICAFPAMFVZJCL-UHFFFAOYSA-N 0 0 382.445 4.014 20 5 GIBDRN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000027360196 820231450 /nfs/dbraw/zinc/23/14/50/820231450.db2.gz MRKIWYUESLDFQQ-GFCCVEGCSA-N 0 0 396.369 4.086 20 5 GIBDRN C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000460645798 823465237 /nfs/dbraw/zinc/46/52/37/823465237.db2.gz GEDNQCZWLXLKSD-HNAYVOBHSA-N 0 0 379.460 4.435 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000058909099 823469320 /nfs/dbraw/zinc/46/93/20/823469320.db2.gz NRFMMHWFTWLUIO-LLVKDONJSA-N 0 0 379.869 4.434 20 5 GIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Br ZINC000028301542 820323306 /nfs/dbraw/zinc/32/33/06/820323306.db2.gz VVYUFNKBCVHDLE-UHFFFAOYSA-N 0 0 398.596 4.050 20 5 GIBDRN C[C@@H]1C[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028301371 820323500 /nfs/dbraw/zinc/32/35/00/820323500.db2.gz MZFFNNVVRUSROD-HYSWKAIVSA-N 0 0 388.807 4.127 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc2ccccc2c2cccnc12 ZINC000058916144 823470004 /nfs/dbraw/zinc/47/00/04/823470004.db2.gz OWQQEIAJTSNNMK-UHFFFAOYSA-N 0 0 386.411 4.138 20 5 GIBDRN CCOc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000460663037 823470291 /nfs/dbraw/zinc/47/02/91/823470291.db2.gz IQKPAZYMTCBYCU-DOTOQJQBSA-N 0 0 398.459 4.268 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000028400668 820333130 /nfs/dbraw/zinc/33/31/30/820333130.db2.gz ZRXWXANYICQPBG-ZDUSSCGKSA-N 0 0 388.445 4.118 20 5 GIBDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000028400715 820333158 /nfs/dbraw/zinc/33/31/58/820333158.db2.gz XBTNGPZDCGMCIF-LBPRGKRZSA-N 0 0 388.445 4.063 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000028416833 820334957 /nfs/dbraw/zinc/33/49/57/820334957.db2.gz HAJKJLRCGXQTKS-UHFFFAOYSA-N 0 0 383.429 4.191 20 5 GIBDRN CCCCn1c(SCc2csc([N+](=O)[O-])c2)nnc1[C@H](CC)N(C)C ZINC000123153328 823471096 /nfs/dbraw/zinc/47/10/96/823471096.db2.gz JMAHXJDOWRSFLF-ZDUSSCGKSA-N 0 0 383.543 4.353 20 5 GIBDRN O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000028612789 820344853 /nfs/dbraw/zinc/34/48/53/820344853.db2.gz SVFHFGDCAYQXOY-UHFFFAOYSA-N 0 0 390.395 4.247 20 5 GIBDRN Cc1sc2ncn(Cc3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 ZINC000028612846 820344873 /nfs/dbraw/zinc/34/48/73/820344873.db2.gz TVMDCLQJOINZGE-UHFFFAOYSA-N 0 0 377.425 4.390 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189678555 823473425 /nfs/dbraw/zinc/47/34/25/823473425.db2.gz BSOXPVABBKFYIF-LJQANCHMSA-N 0 0 391.431 4.056 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189679116 823473837 /nfs/dbraw/zinc/47/38/37/823473837.db2.gz AVTSPNNHCHKWLR-HXUWFJFHSA-N 0 0 390.443 4.281 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000123177710 823474611 /nfs/dbraw/zinc/47/46/11/823474611.db2.gz OTCXILUNTFXBAA-LJQANCHMSA-N 0 0 396.378 4.049 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000177493690 823475740 /nfs/dbraw/zinc/47/57/40/823475740.db2.gz YWZUPKWVYYTYDH-UHFFFAOYSA-N 0 0 385.811 4.340 20 5 GIBDRN Cc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000029363646 820443865 /nfs/dbraw/zinc/44/38/65/820443865.db2.gz NSPVHJCVOXAPEN-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN CC(=O)c1ccc(N2CCN([C@@H](C)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000029530060 820469157 /nfs/dbraw/zinc/46/91/57/820469157.db2.gz AFEGIERHQAWWFT-AWEZNQCLSA-N 0 0 387.867 4.334 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000573360343 823484343 /nfs/dbraw/zinc/48/43/43/823484343.db2.gz GBQFJVJWDGJELH-UHFFFAOYSA-N 0 0 394.387 4.112 20 5 GIBDRN Cc1c(C(=O)N(CC(F)(F)F)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177535242 823485029 /nfs/dbraw/zinc/48/50/29/823485029.db2.gz BQGKGGPQPPWVDP-UHFFFAOYSA-N 0 0 389.330 4.067 20 5 GIBDRN Cc1c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000059118052 823485505 /nfs/dbraw/zinc/48/55/05/823485505.db2.gz CYRWTZWCCGTQAJ-UHFFFAOYSA-N 0 0 390.439 4.455 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410395312 823485628 /nfs/dbraw/zinc/48/56/28/823485628.db2.gz BITSUUKVYCMBES-UHFFFAOYSA-N 0 0 388.729 4.371 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 ZINC000573379489 823486385 /nfs/dbraw/zinc/48/63/85/823486385.db2.gz JOGUTKSYLJWHCU-QGZVFWFLSA-N 0 0 388.493 4.054 20 5 GIBDRN CNc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000029846994 820531806 /nfs/dbraw/zinc/53/18/06/820531806.db2.gz CAFFCASSJBFBLO-FQEVSTJZSA-N 0 0 387.439 4.424 20 5 GIBDRN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029890134 820540380 /nfs/dbraw/zinc/54/03/80/820540380.db2.gz IYBIBEOQZOZORA-UHFFFAOYSA-N 0 0 384.395 4.137 20 5 GIBDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000029987040 820561339 /nfs/dbraw/zinc/56/13/39/820561339.db2.gz OBZXNTQBLHVURB-IBGZPJMESA-N 0 0 392.459 4.145 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC[C@@H]1CC ZINC000460720401 823494285 /nfs/dbraw/zinc/49/42/85/823494285.db2.gz BZSHRNXYONIKFF-KRWDZBQOSA-N 0 0 387.484 4.049 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000030530638 820633161 /nfs/dbraw/zinc/63/31/61/820633161.db2.gz XFXUNCHRXADKHG-UHFFFAOYSA-N 0 0 399.428 4.236 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cccc(Cn2ccnc2)c1 ZINC000030587536 820646464 /nfs/dbraw/zinc/64/64/64/820646464.db2.gz UNHDCSCULLVUKD-UHFFFAOYSA-N 0 0 376.338 4.471 20 5 GIBDRN Cc1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000189806475 823497968 /nfs/dbraw/zinc/49/79/68/823497968.db2.gz FHKJQFQTEOIONZ-UHFFFAOYSA-N 0 0 378.837 4.111 20 5 GIBDRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000059774854 823498214 /nfs/dbraw/zinc/49/82/14/823498214.db2.gz NTVURAVMINLTDN-BJMVGYQFSA-N 0 0 387.823 4.040 20 5 GIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCc2ccccc2C1 ZINC000410488352 823499006 /nfs/dbraw/zinc/49/90/06/823499006.db2.gz ZWHNTEUYXFRWPK-AWEZNQCLSA-N 0 0 378.350 4.243 20 5 GIBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410553443 823503931 /nfs/dbraw/zinc/50/39/31/823503931.db2.gz LWQZYKKKTBDBMM-LBPRGKRZSA-N 0 0 384.276 4.465 20 5 GIBDRN COc1cccc(C2(NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)c1 ZINC000410566251 823504696 /nfs/dbraw/zinc/50/46/96/823504696.db2.gz DTVUTDLSPLGXLZ-UHFFFAOYSA-N 0 0 380.322 4.041 20 5 GIBDRN Cc1cnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)s1 ZINC000410524943 823501422 /nfs/dbraw/zinc/50/14/22/823501422.db2.gz FVMZDQMSLNCALT-ZDUSSCGKSA-N 0 0 385.367 4.260 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000410526143 823501586 /nfs/dbraw/zinc/50/15/86/823501586.db2.gz IEQOVWAVOLLDNH-AWEZNQCLSA-N 0 0 386.370 4.177 20 5 GIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410528048 823501803 /nfs/dbraw/zinc/50/18/03/823501803.db2.gz RRZJXNJADLKEBA-GFCCVEGCSA-N 0 0 396.365 4.325 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000460743498 823502208 /nfs/dbraw/zinc/50/22/08/823502208.db2.gz VNILLSIHUFYEEW-AWEZNQCLSA-N 0 0 376.815 4.164 20 5 GIBDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000059920011 823502618 /nfs/dbraw/zinc/50/26/18/823502618.db2.gz LLFIIWJXDQTSEI-UHFFFAOYSA-N 0 0 375.428 4.449 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000031395932 820803283 /nfs/dbraw/zinc/80/32/83/820803283.db2.gz TVMSFZTXMPEQGW-NSHDSACASA-N 0 0 387.823 4.088 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000177651515 823507522 /nfs/dbraw/zinc/50/75/22/823507522.db2.gz DMPXDCAFTZUCMR-LLVKDONJSA-N 0 0 383.326 4.054 20 5 GIBDRN CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000177674192 823511885 /nfs/dbraw/zinc/51/18/85/823511885.db2.gz OYZQTQUNPIYHNR-UHFFFAOYSA-N 0 0 377.400 4.444 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410661575 823508232 /nfs/dbraw/zinc/50/82/32/823508232.db2.gz JHSANFUAAFVCOI-SUMWQHHRSA-N 0 0 394.349 4.121 20 5 GIBDRN CC(C)Oc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031775399 820857685 /nfs/dbraw/zinc/85/76/85/820857685.db2.gz BUIWWVGTIWMCMC-UHFFFAOYSA-N 0 0 383.448 4.237 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2c(F)cccc2F)cs1 ZINC000031811399 820863877 /nfs/dbraw/zinc/86/38/77/820863877.db2.gz UMIAFUVDKPTBJR-UHFFFAOYSA-N 0 0 375.356 4.178 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000031812475 820864163 /nfs/dbraw/zinc/86/41/63/820864163.db2.gz BCNYYANORMEMDC-UHFFFAOYSA-N 0 0 391.355 4.014 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCOC1 ZINC000410753656 823512287 /nfs/dbraw/zinc/51/22/87/823512287.db2.gz FFZOKVXNWLLRGL-AWEZNQCLSA-N 0 0 380.322 4.049 20 5 GIBDRN COc1ccc(CSCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000031894143 820871075 /nfs/dbraw/zinc/87/10/75/820871075.db2.gz CBCWOSHBATYFQX-ZDUSSCGKSA-N 0 0 392.452 4.195 20 5 GIBDRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000031895326 820871756 /nfs/dbraw/zinc/87/17/56/820871756.db2.gz VYRNXGZVOOSXSB-CYBMUJFWSA-N 0 0 397.859 4.016 20 5 GIBDRN Cc1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cs1 ZINC000410719260 823510775 /nfs/dbraw/zinc/51/07/75/823510775.db2.gz NTLFCWBUBGPEGC-CQSZACIVSA-N 0 0 385.367 4.356 20 5 GIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000123457223 823510922 /nfs/dbraw/zinc/51/09/22/823510922.db2.gz DCIRSZIDUHDVOF-UHFFFAOYSA-N 0 0 376.800 4.030 20 5 GIBDRN CC(C)(C)N(Cc1ccccn1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410732286 823511362 /nfs/dbraw/zinc/51/13/62/823511362.db2.gz KIFIPHNUBRWAAA-UHFFFAOYSA-N 0 0 381.354 4.450 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(c1ccccc1)[C@@H]1CCOC1 ZINC000410753757 823512455 /nfs/dbraw/zinc/51/24/55/823512455.db2.gz FFZOKVXNWLLRGL-CQSZACIVSA-N 0 0 380.322 4.049 20 5 GIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410737703 823511697 /nfs/dbraw/zinc/51/16/97/823511697.db2.gz USDSTPMTPYLOIL-KCJUWKMLSA-N 0 0 384.276 4.417 20 5 GIBDRN COc1cc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000060205544 823511696 /nfs/dbraw/zinc/51/16/96/823511696.db2.gz YJODZAXMZPJMDL-MRXNPFEDSA-N 0 0 384.432 4.155 20 5 GIBDRN CCc1nc(C(C)C)ccc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000410766638 823512859 /nfs/dbraw/zinc/51/28/59/823512859.db2.gz ZVYSAGPPEYECSD-UHFFFAOYSA-N 0 0 385.420 4.023 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000177683303 823513401 /nfs/dbraw/zinc/51/34/01/823513401.db2.gz FXYBNODCLYAPTE-UHFFFAOYSA-N 0 0 393.447 4.054 20 5 GIBDRN O=C(c1ccc(Sc2ccccn2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000060291253 823514335 /nfs/dbraw/zinc/51/43/35/823514335.db2.gz LCRRNYLPCXRELP-UHFFFAOYSA-N 0 0 377.425 4.344 20 5 GIBDRN COc1ccc(C(=O)NCc2ccc(COc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000032304980 820911538 /nfs/dbraw/zinc/91/15/38/820911538.db2.gz ZDHWNBINYUHTAV-UHFFFAOYSA-N 0 0 392.411 4.112 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000032336577 820918496 /nfs/dbraw/zinc/91/84/96/820918496.db2.gz GXRYBDSUHHGWMB-UHFFFAOYSA-N 0 0 377.400 4.014 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C1CCC1 ZINC000460796598 823514978 /nfs/dbraw/zinc/51/49/78/823514978.db2.gz HECNEPIQPYJXKM-IBGZPJMESA-N 0 0 399.495 4.049 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(Oc2ccccc2)c1 ZINC000032362185 820925006 /nfs/dbraw/zinc/92/50/06/820925006.db2.gz PNHZXOPZTOAQMK-UHFFFAOYSA-N 0 0 378.384 4.082 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1C1CCC1 ZINC000460797504 823515286 /nfs/dbraw/zinc/51/52/86/823515286.db2.gz UYQICYTZCBUWFT-IBGZPJMESA-N 0 0 399.495 4.049 20 5 GIBDRN COc1cc(C(=O)NC[C@@H]2C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000032382194 820931180 /nfs/dbraw/zinc/93/11/80/820931180.db2.gz JCEHQYZDKONDJT-YPMHNXCESA-N 0 0 390.823 4.435 20 5 GIBDRN CNC(=O)c1ccc(Oc2ccc(Sc3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000060342706 823517411 /nfs/dbraw/zinc/51/74/11/823517411.db2.gz YZBIECIMNFPSFU-UHFFFAOYSA-N 0 0 381.413 4.293 20 5 GIBDRN NC(=O)c1ccc(NC[C@H]2CC3c4ccccc4C2c2ccccc23)c([N+](=O)[O-])c1 ZINC000032534488 820965845 /nfs/dbraw/zinc/96/58/45/820965845.db2.gz QBIXFEWYEBGDLG-QUMKFVLLSA-N 0 0 399.450 4.403 20 5 GIBDRN NC(=O)c1ccc(NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c([N+](=O)[O-])c1 ZINC000032534487 820966055 /nfs/dbraw/zinc/96/60/55/820966055.db2.gz QBIXFEWYEBGDLG-VVWGJOJXSA-N 0 0 399.450 4.403 20 5 GIBDRN CC(C)C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032636815 820981788 /nfs/dbraw/zinc/98/17/88/820981788.db2.gz GKRORRBYOIRWBC-SFHVURJKSA-N 0 0 378.432 4.298 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccs2)cc1 ZINC000032671928 820986759 /nfs/dbraw/zinc/98/67/59/820986759.db2.gz FGMHFWMIUNYFKO-UHFFFAOYSA-N 0 0 384.413 4.387 20 5 GIBDRN Cc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)onc1C1CCCCC1 ZINC000410877800 823520334 /nfs/dbraw/zinc/52/03/34/823520334.db2.gz SVOVUXDKBDFVKS-UHFFFAOYSA-N 0 0 395.419 4.377 20 5 GIBDRN CCCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000032748767 821002235 /nfs/dbraw/zinc/00/22/35/821002235.db2.gz JZGMPMUFKFJVAP-UHFFFAOYSA-N 0 0 378.450 4.082 20 5 GIBDRN O=C(Nc1ccc(-c2nccs2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032831655 821011936 /nfs/dbraw/zinc/01/19/36/821011936.db2.gz CPUNZLISBPZRNM-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000060385693 823522602 /nfs/dbraw/zinc/52/26/02/823522602.db2.gz VYFJDIJJFNRPLT-UHFFFAOYSA-N 0 0 388.464 4.280 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000033099575 821034153 /nfs/dbraw/zinc/03/41/53/821034153.db2.gz LTWSTEQTVLTPIL-KUHUBIRLSA-N 0 0 384.480 4.107 20 5 GIBDRN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000033226435 821051135 /nfs/dbraw/zinc/05/11/35/821051135.db2.gz BPZPOUWJRMOFQL-UHFFFAOYSA-N 0 0 380.404 4.036 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3nocc3C)cc2[N+](=O)[O-])n1 ZINC000123648708 823528997 /nfs/dbraw/zinc/52/89/97/823528997.db2.gz JADQFRPXGAWQQT-UHFFFAOYSA-N 0 0 376.419 4.060 20 5 GIBDRN CC[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000177811877 823528973 /nfs/dbraw/zinc/52/89/73/823528973.db2.gz YPVGQOSXCBVARA-CQSZACIVSA-N 0 0 399.394 4.368 20 5 GIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c12 ZINC000036644615 821073530 /nfs/dbraw/zinc/07/35/30/821073530.db2.gz LZWBPDRSTOOVFB-UHFFFAOYSA-N 0 0 387.399 4.104 20 5 GIBDRN CSc1ccc(-c2nc(CCn3c(C)nc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000460835205 823525306 /nfs/dbraw/zinc/52/53/06/823525306.db2.gz YFZJNURVZJQLNU-UHFFFAOYSA-N 0 0 395.444 4.268 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(C3CC3)n2)c1 ZINC000410968698 823525681 /nfs/dbraw/zinc/52/56/81/823525681.db2.gz UQCSZZLAVITXDF-UHFFFAOYSA-N 0 0 376.210 4.190 20 5 GIBDRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000039858235 821123183 /nfs/dbraw/zinc/12/31/83/821123183.db2.gz FUPCTGWDNLZJAS-JTQLQIEISA-N 0 0 384.310 4.028 20 5 GIBDRN CSCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)C ZINC000460863936 823531600 /nfs/dbraw/zinc/53/16/00/823531600.db2.gz XSVIXABFFJDBPQ-AWEZNQCLSA-N 0 0 377.514 4.087 20 5 GIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000460868000 823532757 /nfs/dbraw/zinc/53/27/57/823532757.db2.gz HSSIBZNROOLZJT-UHFFFAOYSA-N 0 0 375.306 4.360 20 5 GIBDRN Cc1nc(Cl)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000177835635 823533655 /nfs/dbraw/zinc/53/36/55/823533655.db2.gz QGUTXYNGAKYFHV-UHFFFAOYSA-N 0 0 380.838 4.389 20 5 GIBDRN Cc1ccc(C2(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000177836827 823534149 /nfs/dbraw/zinc/53/41/49/823534149.db2.gz AYTTZQYGPDZHNZ-QGZVFWFLSA-N 0 0 382.460 4.137 20 5 GIBDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177848635 823535908 /nfs/dbraw/zinc/53/59/08/823535908.db2.gz JUADQZKHOGUTRE-HNNXBMFYSA-N 0 0 386.496 4.183 20 5 GIBDRN CC(C)(CCO)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000177840584 823534786 /nfs/dbraw/zinc/53/47/86/823534786.db2.gz BJJDRVYRGKCUOY-UHFFFAOYSA-N 0 0 392.839 4.179 20 5 GIBDRN CC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000041556783 821209577 /nfs/dbraw/zinc/20/95/77/821209577.db2.gz SDQUYJWKPHNJJT-AWEZNQCLSA-N 0 0 396.230 4.108 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177854781 823536782 /nfs/dbraw/zinc/53/67/82/823536782.db2.gz NHIAXRZVRZQHDL-HNNXBMFYSA-N 0 0 392.459 4.126 20 5 GIBDRN CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177860046 823537572 /nfs/dbraw/zinc/53/75/72/823537572.db2.gz LWMUGUFOAUMEET-NSHDSACASA-N 0 0 386.477 4.092 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000041816159 821233302 /nfs/dbraw/zinc/23/33/02/821233302.db2.gz BXPXAHCTSCGKNH-QGZVFWFLSA-N 0 0 393.896 4.003 20 5 GIBDRN O=C(Nc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000060525915 823538348 /nfs/dbraw/zinc/53/83/48/823538348.db2.gz INVRRSXBDOSTJV-UHFFFAOYSA-N 0 0 397.337 4.378 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1OC ZINC000041907455 821245378 /nfs/dbraw/zinc/24/53/78/821245378.db2.gz KKPXWYWFCJKVMK-LZWOXQAQSA-N 0 0 376.453 4.043 20 5 GIBDRN C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]2CCCC[C@H]12 ZINC000041905890 821245388 /nfs/dbraw/zinc/24/53/88/821245388.db2.gz VOPSEQRJTQKZOW-BHIYHBOVSA-N 0 0 385.508 4.238 20 5 GIBDRN CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)CC1 ZINC000460902550 823539089 /nfs/dbraw/zinc/53/90/89/823539089.db2.gz YQSVOELNBOOKLT-APWZRJJASA-N 0 0 399.495 4.049 20 5 GIBDRN CC[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)CC1 ZINC000460904742 823539246 /nfs/dbraw/zinc/53/92/46/823539246.db2.gz BGVAKIJJAHTVQY-LPHOPBHVSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000177874049 823539550 /nfs/dbraw/zinc/53/95/50/823539550.db2.gz ONOJDBSZVYVRDV-OAHLLOKOSA-N 0 0 394.431 4.153 20 5 GIBDRN C[C@@H](NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177874044 823539564 /nfs/dbraw/zinc/53/95/64/823539564.db2.gz WQYUCVCZSKPTSO-IIBYNOLFSA-N 0 0 397.475 4.127 20 5 GIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123781640 823540199 /nfs/dbraw/zinc/54/01/99/823540199.db2.gz KHWVODDFPHCSFX-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H](c1ccccc1)c1cccnc1 ZINC000123792634 823541358 /nfs/dbraw/zinc/54/13/58/823541358.db2.gz ZFKLBNPVGFDEIQ-QFIPXVFZSA-N 0 0 387.395 4.346 20 5 GIBDRN COc1ccc(CSc2nnc(C3CC3)n2Cc2ccco2)cc1[N+](=O)[O-] ZINC000042151398 821274921 /nfs/dbraw/zinc/27/49/21/821274921.db2.gz SPEHFFSIGOHFJL-UHFFFAOYSA-N 0 0 386.433 4.006 20 5 GIBDRN CC1CCN(c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2C2CC2)CC1 ZINC000042155065 821276413 /nfs/dbraw/zinc/27/64/13/821276413.db2.gz QCGQIRVRRIDHHO-UHFFFAOYSA-N 0 0 391.472 4.189 20 5 GIBDRN C[C@@H](Sc1nnc(C(C)(C)C)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000042569283 821312098 /nfs/dbraw/zinc/31/20/98/821312098.db2.gz IVYQIGCPWBJDQG-SECBINFHSA-N 0 0 375.410 4.179 20 5 GIBDRN COC(=O)c1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000042641224 821318690 /nfs/dbraw/zinc/31/86/90/821318690.db2.gz PBDZNLFTXIOGGZ-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN CCOc1ccccc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918371 821344748 /nfs/dbraw/zinc/34/47/48/821344748.db2.gz BBXZJUSVKDJGMA-UHFFFAOYSA-N 0 0 380.347 4.166 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000043273437 821384981 /nfs/dbraw/zinc/38/49/81/821384981.db2.gz 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O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc([N+](=O)[O-])s1 ZINC000180711601 821410749 /nfs/dbraw/zinc/41/07/49/821410749.db2.gz ICWJISDVTNNMEZ-CLFYSBASSA-N 0 0 393.346 4.329 20 5 GIBDRN O=C1c2cc(Cl)ccc2N[C@@H](c2ccc([N+](=O)[O-])s2)N1c1ccncc1 ZINC000180762778 821441565 /nfs/dbraw/zinc/44/15/65/821441565.db2.gz SMRGXLXVSRPTPO-MRXNPFEDSA-N 0 0 386.820 4.476 20 5 GIBDRN CNc1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000043771209 821455823 /nfs/dbraw/zinc/45/58/23/821455823.db2.gz UDSPJQOXXSHVLY-JTQLQIEISA-N 0 0 383.326 4.026 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000043840925 821468842 /nfs/dbraw/zinc/46/88/42/821468842.db2.gz GNKHNZQIRICEKJ-UHFFFAOYSA-N 0 0 389.411 4.119 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 ZINC000180817579 821477783 /nfs/dbraw/zinc/47/77/83/821477783.db2.gz LWRVHTDNWHOXMA-WMLDXEAASA-N 0 0 380.510 4.420 20 5 GIBDRN COc1cc(CNc2ccccc2N(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000180867240 821503104 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COc1cc(CNc2nc(C3CC3)no2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000181859698 822018632 /nfs/dbraw/zinc/01/86/32/822018632.db2.gz UEWPIFGHXNDAKE-UHFFFAOYSA-N 0 0 396.403 4.055 20 5 GIBDRN CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181953555 822044583 /nfs/dbraw/zinc/04/45/83/822044583.db2.gz IEBGSNNMRZJUMI-UHFFFAOYSA-N 0 0 390.749 4.376 20 5 GIBDRN COc1ccc([C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000182054827 822075936 /nfs/dbraw/zinc/07/59/36/822075936.db2.gz HBCGSTQCPHUVPE-LJQANCHMSA-N 0 0 382.420 4.140 20 5 GIBDRN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000182053877 822076013 /nfs/dbraw/zinc/07/60/13/822076013.db2.gz GEYMOONMHNQSSQ-UHFFFAOYSA-N 0 0 376.347 4.325 20 5 GIBDRN CCOc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000182129553 822107902 /nfs/dbraw/zinc/10/79/02/822107902.db2.gz UZKFZHZWPXQHEJ-UHFFFAOYSA-N 0 0 384.310 4.030 20 5 GIBDRN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)s1 ZINC000182262011 822175398 /nfs/dbraw/zinc/17/53/98/822175398.db2.gz FSBADAOJHIUIDW-UHFFFAOYSA-N 0 0 378.479 4.289 20 5 GIBDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182335216 822206002 /nfs/dbraw/zinc/20/60/02/822206002.db2.gz FUQVFFXARJTBIQ-WFASDCNBSA-N 0 0 376.359 4.214 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccc(F)cc2)n1 ZINC000182471156 822255818 /nfs/dbraw/zinc/25/58/18/822255818.db2.gz WNGBBKQBKIXBAU-LBPRGKRZSA-N 0 0 386.358 4.109 20 5 GIBDRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182472571 822256276 /nfs/dbraw/zinc/25/62/76/822256276.db2.gz RIJACORGAKHBGS-UHFFFAOYSA-N 0 0 388.685 4.248 20 5 GIBDRN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177959322 822257459 /nfs/dbraw/zinc/25/74/59/822257459.db2.gz AGJJMZDYONYPTC-CQSZACIVSA-N 0 0 384.413 4.230 20 5 GIBDRN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182494246 822266185 /nfs/dbraw/zinc/26/61/85/822266185.db2.gz YLHWMHQXWDLDRM-GOSISDBHSA-N 0 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YDAWDTWWRLITQB-ZDUSSCGKSA-N 0 0 376.457 4.243 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185612133 822802130 /nfs/dbraw/zinc/80/21/30/822802130.db2.gz KNUJRTOYPDXHAQ-UHFFFAOYSA-N 0 0 380.510 4.121 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456420630 822805923 /nfs/dbraw/zinc/80/59/23/822805923.db2.gz WTCSQNZEAFQPRH-NUJGCVRESA-N 0 0 396.443 4.010 20 5 GIBDRN Cc1nn(CCC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000456424975 822806095 /nfs/dbraw/zinc/80/60/95/822806095.db2.gz PPXOZIASAPMVTH-QGZVFWFLSA-N 0 0 390.871 4.205 20 5 GIBDRN COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Br ZINC000174604621 822811140 /nfs/dbraw/zinc/81/11/40/822811140.db2.gz XJFAEUSHKNUMGN-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000052803219 822811145 /nfs/dbraw/zinc/81/11/45/822811145.db2.gz OLTOGRVAFQWKAL-BDJLRTHQSA-N 0 0 379.869 4.474 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000456525624 822812993 /nfs/dbraw/zinc/81/29/93/822812993.db2.gz GLTSKJQFVDUSEV-HEHGZKQESA-N 0 0 392.502 4.173 20 5 GIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1noc(C2CC2)n1 ZINC000052890165 822814353 /nfs/dbraw/zinc/81/43/53/822814353.db2.gz KNFHKHBSVFJKQU-UHFFFAOYSA-N 0 0 378.457 4.122 20 5 GIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000052958884 822817088 /nfs/dbraw/zinc/81/70/88/822817088.db2.gz JLWHDLFVCCYJKC-GFCCVEGCSA-N 0 0 384.823 4.140 20 5 GIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456570648 822817102 /nfs/dbraw/zinc/81/71/02/822817102.db2.gz QVZWZWYQJHTQKR-HNNXBMFYSA-N 0 0 391.221 4.318 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccccc1NC(=O)c1ccco1 ZINC000174656950 822819173 /nfs/dbraw/zinc/81/91/73/822819173.db2.gz VPAFRXRFXZNMSW-UHFFFAOYSA-N 0 0 380.356 4.106 20 5 GIBDRN CCCN(CC1CC1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053086938 822821212 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4.195 20 5 GIBDRN Cc1cc(CSc2ccccc2C(=O)NCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000053217857 822826445 /nfs/dbraw/zinc/82/64/45/822826445.db2.gz VAEUTBNBANCDHZ-UHFFFAOYSA-N 0 0 397.456 4.156 20 5 GIBDRN O=C(NCCC[C@@H]1CCOC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000456730235 822827621 /nfs/dbraw/zinc/82/76/21/822827621.db2.gz BEVFDKSRHAPGBF-OAHLLOKOSA-N 0 0 386.473 4.293 20 5 GIBDRN Cc1occc1-c1nnc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000185861581 822828028 /nfs/dbraw/zinc/82/80/28/822828028.db2.gz KRCHABDNZBRIGY-UHFFFAOYSA-N 0 0 383.389 4.282 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccccc1Cl ZINC000053272516 822828719 /nfs/dbraw/zinc/82/87/19/822828719.db2.gz HXWPDIILHZDQRY-KRWDZBQOSA-N 0 0 389.839 4.032 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccc(CCC(C)C)cn2)c([N+](=O)[O-])cc1OC ZINC000456790420 822831298 /nfs/dbraw/zinc/83/12/98/822831298.db2.gz WVRVNFLRNNJTGN-UHFFFAOYSA-N 0 0 387.436 4.238 20 5 GIBDRN COc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC(C)C ZINC000185902915 822831630 /nfs/dbraw/zinc/83/16/30/822831630.db2.gz BCFWBHRKISVABS-UHFFFAOYSA-N 0 0 393.827 4.366 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCSC2)C1 ZINC000456819723 822834700 /nfs/dbraw/zinc/83/47/00/822834700.db2.gz GBPKCTNXJVNLOK-SFHVURJKSA-N 0 0 380.535 4.455 20 5 GIBDRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COc2cccnc2[N+](=O)[O-])cc1 ZINC000053443325 822835178 /nfs/dbraw/zinc/83/51/78/822835178.db2.gz BUDCEAQIUITSQW-QGZVFWFLSA-N 0 0 383.448 4.030 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C1(O)CCCC1 ZINC000456841376 822837324 /nfs/dbraw/zinc/83/73/24/822837324.db2.gz KUUWFMZRYXRRFX-UHFFFAOYSA-N 0 0 380.510 4.156 20 5 GIBDRN CCc1cc(NCc2ccc(NC(C)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053556306 822840798 /nfs/dbraw/zinc/84/07/98/822840798.db2.gz GHEUUFHDQFPXSN-UHFFFAOYSA-N 0 0 391.431 4.185 20 5 GIBDRN CNC(=O)c1ccc(N2CCC(c3c(C)[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000053575343 822841435 /nfs/dbraw/zinc/84/14/35/822841435.db2.gz DKEXQMKCFDHEKH-UHFFFAOYSA-N 0 0 392.459 4.128 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000456920474 822841651 /nfs/dbraw/zinc/84/16/51/822841651.db2.gz ITVSKKRLMFRVKG-JCNLHEQBSA-N 0 0 388.851 4.204 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000456921736 822841791 /nfs/dbraw/zinc/84/17/91/822841791.db2.gz KRUHCOAIMPOYOL-FRFSOERESA-N 0 0 386.423 4.251 20 5 GIBDRN COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186011437 822843684 /nfs/dbraw/zinc/84/36/84/822843684.db2.gz BKUUONPKQRXIOL-UHFFFAOYSA-N 0 0 398.246 4.252 20 5 GIBDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186018570 822844189 /nfs/dbraw/zinc/84/41/89/822844189.db2.gz ASUMYCQOWMUSLM-SNVBAGLBSA-N 0 0 383.782 4.429 20 5 GIBDRN CCOc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000186051385 822847359 /nfs/dbraw/zinc/84/73/59/822847359.db2.gz FWKSWQGVTJRCGA-HNNXBMFYSA-N 0 0 378.432 4.301 20 5 GIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000053815213 822849268 /nfs/dbraw/zinc/84/92/68/822849268.db2.gz IMLSNHFRNJVGPY-AWEZNQCLSA-N 0 0 392.415 4.201 20 5 GIBDRN CSc1cccc(C(=O)NCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000186084032 822850152 /nfs/dbraw/zinc/85/01/52/822850152.db2.gz IKWPVWHXNOFKKC-UHFFFAOYSA-N 0 0 381.251 4.009 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000174888284 822851024 /nfs/dbraw/zinc/85/10/24/822851024.db2.gz BKVOLELBOWVZTK-QWRGUYRKSA-N 0 0 383.326 4.271 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186105778 822852307 /nfs/dbraw/zinc/85/23/07/822852307.db2.gz UZYZCXMDWUNMIL-UHFFFAOYSA-N 0 0 392.799 4.467 20 5 GIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000457096361 822853051 /nfs/dbraw/zinc/85/30/51/822853051.db2.gz TWUIRDFFYNFAEF-GXTWGEPZSA-N 0 0 376.844 4.161 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1[N+](=O)[O-] ZINC000186132271 822854307 /nfs/dbraw/zinc/85/43/07/822854307.db2.gz MQUZDVRKTYUNEP-UHFFFAOYSA-N 0 0 385.445 4.086 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC000457126601 822855881 /nfs/dbraw/zinc/85/58/81/822855881.db2.gz BSAXBSVRLPPSIS-UHFFFAOYSA-N 0 0 394.471 4.224 20 5 GIBDRN Cc1cccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C ZINC000054005434 822856869 /nfs/dbraw/zinc/85/68/69/822856869.db2.gz QNMYTIHBQMTRMI-SFHVURJKSA-N 0 0 399.447 4.416 20 5 GIBDRN Cc1ccc(C)c(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000054005096 822856932 /nfs/dbraw/zinc/85/69/32/822856932.db2.gz KUPRHYGLRRUMDF-GOSISDBHSA-N 0 0 399.447 4.416 20 5 GIBDRN Cc1cccc(C)c1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005458 822857085 /nfs/dbraw/zinc/85/70/85/822857085.db2.gz PUEAFNZNDYFLMK-KRWDZBQOSA-N 0 0 399.447 4.416 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)cc1OC ZINC000457163402 822858284 /nfs/dbraw/zinc/85/82/84/822858284.db2.gz KCLWWHFWRHURBL-SFHVURJKSA-N 0 0 376.453 4.043 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C1=CCCC1 ZINC000457175094 822859076 /nfs/dbraw/zinc/85/90/76/822859076.db2.gz DTPYYKCZLZBBDB-UHFFFAOYSA-N 0 0 378.494 4.200 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000186194246 822859728 /nfs/dbraw/zinc/85/97/28/822859728.db2.gz DFEJSXMSUMNJEY-UHFFFAOYSA-N 0 0 399.472 4.195 20 5 GIBDRN CSc1cccc(C(=O)NCc2cc(F)ccc2Br)c1[N+](=O)[O-] ZINC000186202353 822860498 /nfs/dbraw/zinc/86/04/98/822860498.db2.gz GTKKQGFQESXYSS-UHFFFAOYSA-N 0 0 399.241 4.148 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000457323329 822865779 /nfs/dbraw/zinc/86/57/79/822865779.db2.gz HJLLVTVCQQVAHM-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN C[C@H](CCCC(F)(F)F)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000569000512 822868868 /nfs/dbraw/zinc/86/88/68/822868868.db2.gz KVLMJVIGWNVNEI-LLVKDONJSA-N 0 0 379.354 4.104 20 5 GIBDRN 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Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055593315 822984214 /nfs/dbraw/zinc/98/42/14/822984214.db2.gz MWDFMDOEQYIBAS-HUUCEWRRSA-N 0 0 395.459 4.274 20 5 GIBDRN O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175501117 822984550 /nfs/dbraw/zinc/98/45/50/822984550.db2.gz XIOOQWCMMRUOPM-UHFFFAOYSA-N 0 0 376.693 4.336 20 5 GIBDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000055604910 822986432 /nfs/dbraw/zinc/98/64/32/822986432.db2.gz IGTCOOLFSKEQNL-CYBMUJFWSA-N 0 0 396.399 4.351 20 5 GIBDRN CCCN1C(=O)CCc2cc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])ccc21 ZINC000186962473 822988125 /nfs/dbraw/zinc/98/81/25/822988125.db2.gz GDJKTSBNLWVUSB-UHFFFAOYSA-N 0 0 399.472 4.258 20 5 GIBDRN Cc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000175515224 822988539 /nfs/dbraw/zinc/98/85/39/822988539.db2.gz IIDMWXDSKITYCJ-UHFFFAOYSA-N 0 0 393.447 4.106 20 5 GIBDRN C[C@@H](Nc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000186997769 822994408 /nfs/dbraw/zinc/99/44/08/822994408.db2.gz XFYGYCRMJXXFFX-CYBMUJFWSA-N 0 0 378.388 4.121 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000055713876 823002051 /nfs/dbraw/zinc/00/20/51/823002051.db2.gz WPDJWEYDBMMYRP-UHFFFAOYSA-N 0 0 389.411 4.086 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000055714156 823002238 /nfs/dbraw/zinc/00/22/38/823002238.db2.gz NLUPILUJOJITOO-UHFFFAOYSA-N 0 0 389.411 4.086 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000570073043 823003323 /nfs/dbraw/zinc/00/33/23/823003323.db2.gz ZIFNPAVBDCFJLS-YPMHNXCESA-N 0 0 383.370 4.104 20 5 GIBDRN Cc1sc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000187046543 823003349 /nfs/dbraw/zinc/00/33/49/823003349.db2.gz OOBVRJZZDSFLKM-BMIGLBTASA-N 0 0 380.853 4.220 20 5 GIBDRN CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175594995 823003837 /nfs/dbraw/zinc/00/38/37/823003837.db2.gz LQWMPTFYNQLQQW-UHFFFAOYSA-N 0 0 377.238 4.065 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000175614452 823006946 /nfs/dbraw/zinc/00/69/46/823006946.db2.gz WHBMHFUDQMONRO-HUUCEWRRSA-N 0 0 382.464 4.424 20 5 GIBDRN COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000175620954 823008108 /nfs/dbraw/zinc/00/81/08/823008108.db2.gz NOEQIPRLJDSPGV-KBPBESRZSA-N 0 0 387.436 4.042 20 5 GIBDRN C[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Cl)s1 ZINC000175649892 823012884 /nfs/dbraw/zinc/01/28/84/823012884.db2.gz OJIXZJXTJMNEBK-VIFPVBQESA-N 0 0 382.825 4.213 20 5 GIBDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000175678922 823018711 /nfs/dbraw/zinc/01/87/11/823018711.db2.gz OSVPUDFRDSVLRE-AWEZNQCLSA-N 0 0 377.400 4.156 20 5 GIBDRN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)[nH]2)c([N+](=O)[O-])c1 ZINC000187156935 823018766 /nfs/dbraw/zinc/01/87/66/823018766.db2.gz NSFJOKCRCYOOTF-UHFFFAOYSA-N 0 0 398.444 4.033 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175687298 823020450 /nfs/dbraw/zinc/02/04/50/823020450.db2.gz JEFPWXXNGKZZEM-UHFFFAOYSA-N 0 0 389.839 4.419 20 5 GIBDRN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000570299177 823023698 /nfs/dbraw/zinc/02/36/98/823023698.db2.gz MTDURSMAICQPKK-QGZVFWFLSA-N 0 0 376.254 4.132 20 5 GIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000175735807 823029238 /nfs/dbraw/zinc/02/92/38/823029238.db2.gz BMTLCPJPQMEHPA-UHFFFAOYSA-N 0 0 382.351 4.185 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000175738284 823029866 /nfs/dbraw/zinc/02/98/66/823029866.db2.gz FHPYGKVFYBTGRU-QWHCGFSZSA-N 0 0 392.481 4.051 20 5 GIBDRN Cc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000175739139 823030005 /nfs/dbraw/zinc/03/00/05/823030005.db2.gz PLYUJYZASACWFR-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN Cc1cc(N(C)Cc2nc(-c3cccnc3)no2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000570415241 823034993 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385.811 4.205 20 5 GIBDRN O=C(NCc1ccc2ccccc2n1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458436568 823040093 /nfs/dbraw/zinc/04/00/93/823040093.db2.gz YGCTYNRIXUYXPJ-SFHVURJKSA-N 0 0 390.443 4.232 20 5 GIBDRN O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc2ccccc2c2cccnc12 ZINC000187309730 823041051 /nfs/dbraw/zinc/04/10/51/823041051.db2.gz ZOOHQQGXOAWFLF-UHFFFAOYSA-N 0 0 397.478 4.343 20 5 GIBDRN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000055771400 823041974 /nfs/dbraw/zinc/04/19/74/823041974.db2.gz HOHOUPBKOVDYQJ-UHFFFAOYSA-N 0 0 379.347 4.239 20 5 GIBDRN Cc1ccccc1[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055779999 823043514 /nfs/dbraw/zinc/04/35/14/823043514.db2.gz CJESKLCBBYMGGX-FQEVSTJZSA-N 0 0 393.487 4.483 20 5 GIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000055785543 823044325 /nfs/dbraw/zinc/04/43/25/823044325.db2.gz DPVDBAZWRBSCDW-INIZCTEOSA-N 0 0 375.222 4.335 20 5 GIBDRN Cc1c(F)ccc2c1N(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CCC2 ZINC000411094275 823544801 /nfs/dbraw/zinc/54/48/01/823544801.db2.gz PBKBIACJSLXSPL-UHFFFAOYSA-N 0 0 380.322 4.237 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000123854461 823546119 /nfs/dbraw/zinc/54/61/19/823546119.db2.gz INMVCRIJCZMOAX-IBGZPJMESA-N 0 0 383.448 4.174 20 5 GIBDRN COc1cc(CSCC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190173010 823546118 /nfs/dbraw/zinc/54/61/18/823546118.db2.gz BWGINLYCDMIOMC-LBPRGKRZSA-N 0 0 377.409 4.050 20 5 GIBDRN COc1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc([N+](=O)[O-])c1C ZINC000190181827 823547392 /nfs/dbraw/zinc/54/73/92/823547392.db2.gz YVUDBTQJFUXUHL-UHFFFAOYSA-N 0 0 395.293 4.324 20 5 GIBDRN CCc1ccc(-c2nc(CC(=O)Oc3cc([N+](=O)[O-])ccc3OC)cs2)cc1 ZINC000060675367 823551903 /nfs/dbraw/zinc/55/19/03/823551903.db2.gz UEWBORRIUGQODZ-UHFFFAOYSA-N 0 0 398.440 4.437 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000411151761 823552189 /nfs/dbraw/zinc/55/21/89/823552189.db2.gz DPOIBDFCAAZVRL-GOSISDBHSA-N 0 0 383.448 4.054 20 5 GIBDRN CC(C)Cn1ncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C(F)F ZINC000123952781 823554959 /nfs/dbraw/zinc/55/49/59/823554959.db2.gz UXUTVPFPBJBOJD-UHFFFAOYSA-N 0 0 394.422 4.436 20 5 GIBDRN CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1cccs1 ZINC000411197014 823556411 /nfs/dbraw/zinc/55/64/11/823556411.db2.gz VCBBEWABOVGZBV-KRWDZBQOSA-N 0 0 389.477 4.197 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000411221643 823558281 /nfs/dbraw/zinc/55/82/81/823558281.db2.gz HNJHWONSWZLUMH-LJQANCHMSA-N 0 0 383.448 4.006 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411223629 823558472 /nfs/dbraw/zinc/55/84/72/823558472.db2.gz YGCMYOWRIKGWPP-HBMCJLEFSA-N 0 0 380.444 4.461 20 5 GIBDRN CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000411267497 823561096 /nfs/dbraw/zinc/56/10/96/823561096.db2.gz RUOJHTRXTPRYHT-FRQCXROJSA-N 0 0 378.432 4.088 20 5 GIBDRN O=C(Nc1ccccc1N1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124033607 823561454 /nfs/dbraw/zinc/56/14/54/823561454.db2.gz SCJBZPHZTWECPB-UHFFFAOYSA-N 0 0 380.448 4.175 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1F ZINC000411337948 823565163 /nfs/dbraw/zinc/56/51/63/823565163.db2.gz IYCKNABCXGFZKG-NSHDSACASA-N 0 0 380.803 4.158 20 5 GIBDRN COc1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc32)ccc1[N+](=O)[O-] ZINC000124119842 823569242 /nfs/dbraw/zinc/56/92/42/823569242.db2.gz PFPLDOYHKRZZJD-UHFFFAOYSA-N 0 0 381.266 4.016 20 5 GIBDRN Cc1csc([C@H]2COCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000190404258 823569700 /nfs/dbraw/zinc/56/97/00/823569700.db2.gz BKYDYUSUFHAHJJ-QGZVFWFLSA-N 0 0 385.445 4.193 20 5 GIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000061024765 823573874 /nfs/dbraw/zinc/57/38/74/823573874.db2.gz JOEZYDFUXCBEMK-UHFFFAOYSA-N 0 0 382.342 4.001 20 5 GIBDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000061038695 823575046 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399.834 4.413 20 5 GIBDRN O=C(CCCc1ccc(Br)s1)NCc1ccccc1[N+](=O)[O-] ZINC000125859608 823731356 /nfs/dbraw/zinc/73/13/56/823731356.db2.gz MVCFZNGOOMWYTD-UHFFFAOYSA-N 0 0 383.267 4.058 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000413221170 823731499 /nfs/dbraw/zinc/73/14/99/823731499.db2.gz IMKVGUJZLSUMCO-UONOGXRCSA-N 0 0 389.280 4.229 20 5 GIBDRN Cc1cc(Br)ccc1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413219748 823731653 /nfs/dbraw/zinc/73/16/53/823731653.db2.gz BCABJLIESMOCDK-JKSUJKDBSA-N 0 0 389.249 4.432 20 5 GIBDRN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413224577 823732612 /nfs/dbraw/zinc/73/26/12/823732612.db2.gz YTETVJQQENNQTM-JKSUJKDBSA-N 0 0 399.834 4.117 20 5 GIBDRN O=[N+]([O-])c1ccc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2cccnc21 ZINC000413280455 823744315 /nfs/dbraw/zinc/74/43/15/823744315.db2.gz KTNHKVKCAKXBRO-GGPKGHCWSA-N 0 0 375.428 4.152 20 5 GIBDRN Cc1nc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)sc1Br 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GIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@@](F)(c2ccccc2)C1 ZINC000571464643 823186558 /nfs/dbraw/zinc/18/65/58/823186558.db2.gz BHAJOISJILRHBJ-KRWDZBQOSA-N 0 0 382.313 4.325 20 5 GIBDRN Cc1nc(C)c(-c2csc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])n2)s1 ZINC000121490779 823193771 /nfs/dbraw/zinc/19/37/71/823193771.db2.gz SBTAEZVWJYFHPL-UHFFFAOYSA-N 0 0 378.410 4.183 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000176391043 823196937 /nfs/dbraw/zinc/19/69/37/823196937.db2.gz ALOLCKIBOOHKBL-CVEARBPZSA-N 0 0 393.447 4.210 20 5 GIBDRN Cc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000176392381 823197239 /nfs/dbraw/zinc/19/72/39/823197239.db2.gz OKWFLCWOGKEDKN-NSHDSACASA-N 0 0 386.795 4.098 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188174161 823197782 /nfs/dbraw/zinc/19/77/82/823197782.db2.gz TXXMLYMRNWYUBQ-LRDDRELGSA-N 0 0 390.436 4.058 20 5 GIBDRN 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823219462 /nfs/dbraw/zinc/21/94/62/823219462.db2.gz IHLPPHONIZSFJO-UHFFFAOYSA-N 0 0 381.476 4.163 20 5 GIBDRN C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000056889220 823228433 /nfs/dbraw/zinc/22/84/33/823228433.db2.gz LPLRNFQICQYIGQ-ACJLOTCBSA-N 0 0 389.839 4.092 20 5 GIBDRN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000409474062 823228850 /nfs/dbraw/zinc/22/88/50/823228850.db2.gz IKGZPCMAULWLGD-POHZPAGDSA-N 0 0 392.814 4.342 20 5 GIBDRN COCCOc1ccc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)cc1OC ZINC000121687402 823230572 /nfs/dbraw/zinc/23/05/72/823230572.db2.gz LSTFQTHTOVADTK-NSHDSACASA-N 0 0 382.363 4.080 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000056889221 823228633 /nfs/dbraw/zinc/22/86/33/823228633.db2.gz LPLRNFQICQYIGQ-SCLBCKFNSA-N 0 0 389.839 4.092 20 5 GIBDRN COc1ccc(CN2CCC[C@@H]2C(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571807408 823237373 /nfs/dbraw/zinc/23/73/73/823237373.db2.gz 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O=[N+]([O-])c1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459668777 823246262 /nfs/dbraw/zinc/24/62/62/823246262.db2.gz TZNQUAOVOCXMKZ-OAHLLOKOSA-N 0 0 392.805 4.429 20 5 GIBDRN Cc1cccc([C@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000121768710 823246515 /nfs/dbraw/zinc/24/65/15/823246515.db2.gz GFHGRKVQQGVQOK-ZDUSSCGKSA-N 0 0 398.444 4.101 20 5 GIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000057071888 823247018 /nfs/dbraw/zinc/24/70/18/823247018.db2.gz JXBQVVJUFMIMQE-CYBMUJFWSA-N 0 0 390.399 4.237 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121777793 823248487 /nfs/dbraw/zinc/24/84/87/823248487.db2.gz RHLVTAZZPCJGIQ-IRXDYDNUSA-N 0 0 390.443 4.107 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000188489989 823250005 /nfs/dbraw/zinc/25/00/05/823250005.db2.gz BMBLBFDITIBOBB-CQSZACIVSA-N 0 0 390.395 4.022 20 5 GIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000188496562 823251274 /nfs/dbraw/zinc/25/12/74/823251274.db2.gz HBRNTLWYHADHDU-UHFFFAOYSA-N 0 0 386.358 4.236 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)oc21 ZINC000188503367 823252299 /nfs/dbraw/zinc/25/22/99/823252299.db2.gz KQCHWQBNTKRDHU-UHFFFAOYSA-N 0 0 379.416 4.373 20 5 GIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2ccccc21 ZINC000001961993 817378328 /nfs/dbraw/zinc/37/83/28/817378328.db2.gz ZDEGERFARZRCJB-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001982747 817379060 /nfs/dbraw/zinc/37/90/60/817379060.db2.gz NPDOMSPUCMMTPY-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001984531 817379600 /nfs/dbraw/zinc/37/96/00/817379600.db2.gz QQKRQLICYUBMGW-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN CCOc1cc(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1OC ZINC000176657181 823259110 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398.596 4.050 20 5 GIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(-c2ccccc2)cc1 ZINC000003495104 817469220 /nfs/dbraw/zinc/46/92/20/817469220.db2.gz LGWXBQFXOYCYKR-UHFFFAOYSA-N 0 0 382.397 4.119 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1CCC(C)C ZINC000003496374 817469949 /nfs/dbraw/zinc/46/99/49/817469949.db2.gz WBTDMOSIJKBAGZ-UHFFFAOYSA-N 0 0 378.450 4.160 20 5 GIBDRN CSc1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176679249 823265835 /nfs/dbraw/zinc/26/58/35/823265835.db2.gz KODIPRXUCVVXGC-UHFFFAOYSA-N 0 0 386.882 4.104 20 5 GIBDRN Cc1ccccc1NC(=O)Cc1nc(COc2ccc([N+](=O)[O-])cc2)cs1 ZINC000003532815 817479796 /nfs/dbraw/zinc/47/97/96/817479796.db2.gz IPALVBHNFHIDIP-UHFFFAOYSA-N 0 0 383.429 4.120 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000004315078 817520150 /nfs/dbraw/zinc/52/01/50/817520150.db2.gz CRGJCKQXPSAWMX-UHFFFAOYSA-N 0 0 376.368 4.087 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000459881049 823269824 /nfs/dbraw/zinc/26/98/24/823269824.db2.gz AFKGCFKLLIFRHQ-UHFFFAOYSA-N 0 0 386.423 4.329 20 5 GIBDRN C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004767966 817534373 /nfs/dbraw/zinc/53/43/73/817534373.db2.gz DHKCLLXUIXFNIU-GFCCVEGCSA-N 0 0 388.445 4.109 20 5 GIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000004797229 817535003 /nfs/dbraw/zinc/53/50/03/817535003.db2.gz NBPMMVTWCLLWGB-SNVBAGLBSA-N 0 0 379.821 4.398 20 5 GIBDRN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000004830193 817536142 /nfs/dbraw/zinc/53/61/42/817536142.db2.gz JLVMDRQCEYBGIZ-UHFFFAOYSA-N 0 0 396.350 4.221 20 5 GIBDRN Cc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1ccccc1C ZINC000176697801 823270466 /nfs/dbraw/zinc/27/04/66/823270466.db2.gz WELVFVPJOBXPGM-UHFFFAOYSA-N 0 0 387.399 4.198 20 5 GIBDRN COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])s3)cs2)cc1 ZINC000005020869 817546421 /nfs/dbraw/zinc/54/64/21/817546421.db2.gz WBOSYXCWKWOQAX-UHFFFAOYSA-N 0 0 376.415 4.145 20 5 GIBDRN CCOc1cc(NC(=O)c2scnc2C(C)C)c([N+](=O)[O-])cc1OCC ZINC000459905298 823271128 /nfs/dbraw/zinc/27/11/28/823271128.db2.gz RUYSIAUHILYVBP-UHFFFAOYSA-N 0 0 379.438 4.224 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005117116 817552101 /nfs/dbraw/zinc/55/21/01/817552101.db2.gz SBCYCKMSRMWKIL-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005128194 817552671 /nfs/dbraw/zinc/55/26/71/817552671.db2.gz BTSAGXDHRJZMSX-FQEVSTJZSA-N 0 0 390.395 4.440 20 5 GIBDRN Cc1nc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n(CC(C)C)c1C ZINC000005151982 817555327 /nfs/dbraw/zinc/55/53/27/817555327.db2.gz VQWDAOORCREKSB-UHFFFAOYSA-N 0 0 376.482 4.103 20 5 GIBDRN Cc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000005199163 817559776 /nfs/dbraw/zinc/55/97/76/817559776.db2.gz UVNNLYBDQXSRPL-UHFFFAOYSA-N 0 0 383.448 4.116 20 5 GIBDRN COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000005199843 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2c(C)nc3sccn32)no1 ZINC000572205112 823299657 /nfs/dbraw/zinc/29/96/57/823299657.db2.gz XJPADJUSLHGDSV-CYBMUJFWSA-N 0 0 383.433 4.399 20 5 GIBDRN CNc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000008020267 817984615 /nfs/dbraw/zinc/98/46/15/817984615.db2.gz FCYCVCLTOFNKIX-CQSZACIVSA-N 0 0 396.472 4.266 20 5 GIBDRN Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)ccc2o1 ZINC000572225496 823304324 /nfs/dbraw/zinc/30/43/24/823304324.db2.gz OQZZDANKLKTHJL-UHFFFAOYSA-N 0 0 390.193 4.368 20 5 GIBDRN Cc1cc(C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)ccc1[N+](=O)[O-] ZINC000008115507 818002564 /nfs/dbraw/zinc/00/25/64/818002564.db2.gz FJPXTNKTYQXLLM-UHFFFAOYSA-N 0 0 379.420 4.238 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)cc1Cl ZINC000008116125 818002757 /nfs/dbraw/zinc/00/27/57/818002757.db2.gz NLXBSJACBWULLJ-UHFFFAOYSA-N 0 0 385.272 4.353 20 5 GIBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCCSc2ccccc21 ZINC000057501378 823304660 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Cc1ccc(CNC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000016054245 818387408 /nfs/dbraw/zinc/38/74/08/818387408.db2.gz PZKDJRCSSWICHY-LBPRGKRZSA-N 0 0 387.486 4.310 20 5 GIBDRN Cc1c(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000176958356 823334574 /nfs/dbraw/zinc/33/45/74/823334574.db2.gz DQALGUQFICOCAO-SFHVURJKSA-N 0 0 383.448 4.159 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176957895 823334617 /nfs/dbraw/zinc/33/46/17/823334617.db2.gz GJDKIYTZUMDWAK-IAQYHMDHSA-N 0 0 395.868 4.430 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000057808266 823335085 /nfs/dbraw/zinc/33/50/85/823335085.db2.gz RFDHWKSMBSGASI-LJQANCHMSA-N 0 0 379.441 4.231 20 5 GIBDRN Cc1ccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000016312728 818421425 /nfs/dbraw/zinc/42/14/25/818421425.db2.gz GQXDCGWLPDBGEA-UHFFFAOYSA-N 0 0 382.247 4.281 20 5 GIBDRN COc1ccc(NC(=O)CSc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000016360414 818429174 /nfs/dbraw/zinc/42/91/74/818429174.db2.gz KZZFJUYCSUMTFG-UHFFFAOYSA-N 0 0 397.250 4.097 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000460293553 823342862 /nfs/dbraw/zinc/34/28/62/823342862.db2.gz MFZIETLZTAVFOY-UHFFFAOYSA-N 0 0 389.839 4.134 20 5 GIBDRN C[C@H](Sc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016548927 818453808 /nfs/dbraw/zinc/45/38/08/818453808.db2.gz NRMZELOCTZCUMH-JTQLQIEISA-N 0 0 381.251 4.477 20 5 GIBDRN C[C@H](Sc1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016548977 818453890 /nfs/dbraw/zinc/45/38/90/818453890.db2.gz XTJWSXBZYAUDTP-JTQLQIEISA-N 0 0 381.251 4.477 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000460280529 823338593 /nfs/dbraw/zinc/33/85/93/823338593.db2.gz CUYDHLUIWYBRQB-RISCZKNCSA-N 0 0 383.374 4.040 20 5 GIBDRN CC(C)c1nnc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)s1 ZINC000016965659 818493003 /nfs/dbraw/zinc/49/30/03/818493003.db2.gz WVRXXOZMYWSEDK-UHFFFAOYSA-N 0 0 389.481 4.058 20 5 GIBDRN Cc1ccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000016966529 818493648 /nfs/dbraw/zinc/49/36/48/818493648.db2.gz PTMZPJAHRQGWNG-UHFFFAOYSA-N 0 0 397.475 4.045 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000017367905 818512948 /nfs/dbraw/zinc/51/29/48/818512948.db2.gz PWMJYFSKIMZCCV-UHFFFAOYSA-N 0 0 388.376 4.394 20 5 GIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000017370212 818513621 /nfs/dbraw/zinc/51/36/21/818513621.db2.gz KZQSFSCBEABFDJ-MRXNPFEDSA-N 0 0 390.823 4.243 20 5 GIBDRN CC(C)(NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000176988760 823343591 /nfs/dbraw/zinc/34/35/91/823343591.db2.gz ILLMERAQEMRSEH-UHFFFAOYSA-N 0 0 382.420 4.000 20 5 GIBDRN O=C(Nc1ccn(Cc2ccccc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000122360484 823343690 /nfs/dbraw/zinc/34/36/90/823343690.db2.gz UDNVFYZFSYJNCC-UHFFFAOYSA-N 0 0 391.431 4.036 20 5 GIBDRN C[C@H](OC(=O)c1c[nH]c2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017940876 818534757 /nfs/dbraw/zinc/53/47/57/818534757.db2.gz DQOUOKWICVMYML-NSHDSACASA-N 0 0 378.344 4.044 20 5 GIBDRN Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017967513 818536690 /nfs/dbraw/zinc/53/66/90/818536690.db2.gz UHPBSHWFMPVWMN-UHFFFAOYSA-N 0 0 398.202 4.390 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000176991466 823344300 /nfs/dbraw/zinc/34/43/00/823344300.db2.gz GTJJABPHJGMXHQ-HNNXBMFYSA-N 0 0 398.463 4.233 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000018078562 818543661 /nfs/dbraw/zinc/54/36/61/818543661.db2.gz ZTJPZPIEXROBHV-UHFFFAOYSA-N 0 0 399.447 4.245 20 5 GIBDRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000018160940 818552646 /nfs/dbraw/zinc/55/26/46/818552646.db2.gz XXFSWHKSHIZYRB-UHFFFAOYSA-N 0 0 392.411 4.112 20 5 GIBDRN COc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)sc1Br ZINC000122400524 823349367 /nfs/dbraw/zinc/34/93/67/823349367.db2.gz 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Cc1nn(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000019680987 818598320 /nfs/dbraw/zinc/59/83/20/818598320.db2.gz IWOVXYHAVPAMMH-UHFFFAOYSA-N 0 0 378.432 4.326 20 5 GIBDRN CO[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000460311008 823348889 /nfs/dbraw/zinc/34/88/89/823348889.db2.gz NCIDFMZNNIPCER-QGZVFWFLSA-N 0 0 376.840 4.030 20 5 GIBDRN Cc1cc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000020890411 818635937 /nfs/dbraw/zinc/63/59/37/818635937.db2.gz UIULDZIAQPDLRS-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN Cc1cc(C)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000020897166 818638053 /nfs/dbraw/zinc/63/80/53/818638053.db2.gz WQOIBECORNQEFY-CYBMUJFWSA-N 0 0 390.823 4.357 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000021355195 818679619 /nfs/dbraw/zinc/67/96/19/818679619.db2.gz IJBUJDDGZBFNIB-LLVKDONJSA-N 0 0 379.210 4.072 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000021355200 818679731 /nfs/dbraw/zinc/67/97/31/818679731.db2.gz IJBUJDDGZBFNIB-NSHDSACASA-N 0 0 379.210 4.072 20 5 GIBDRN CO[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000460331518 823356025 /nfs/dbraw/zinc/35/60/25/823356025.db2.gz VUZPFLAEQNZSEP-OAHLLOKOSA-N 0 0 380.853 4.088 20 5 GIBDRN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000572536598 823356750 /nfs/dbraw/zinc/35/67/50/823356750.db2.gz REWJVWVYEFXECW-OTVXOJSOSA-N 0 0 387.402 4.366 20 5 GIBDRN COc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2cc1OC ZINC000021559089 818704728 /nfs/dbraw/zinc/70/47/28/818704728.db2.gz KEAMLXHJUZHLKA-UHFFFAOYSA-N 0 0 393.808 4.127 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000021571074 818706316 /nfs/dbraw/zinc/70/63/16/818706316.db2.gz QGHOEFFZWJQKFZ-JTQLQIEISA-N 0 0 397.200 4.211 20 5 GIBDRN COc1cc(CN(C(=O)c2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000021600242 818711816 /nfs/dbraw/zinc/71/18/16/818711816.db2.gz CRANTJQIJANRED-UHFFFAOYSA-N 0 0 392.358 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818768292 /nfs/dbraw/zinc/76/82/92/818768292.db2.gz RIXWUMHOFVVHFY-UHFFFAOYSA-N 0 0 375.381 4.464 20 5 GIBDRN Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2c1C ZINC000022154853 818776995 /nfs/dbraw/zinc/77/69/95/818776995.db2.gz CTUAWLZZEJGUQH-CQSZACIVSA-N 0 0 395.415 4.185 20 5 GIBDRN O=C(CCc1nc2ccccc2s1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356827 823363024 /nfs/dbraw/zinc/36/30/24/823363024.db2.gz PTVHQVOZYLVLIN-LJQANCHMSA-N 0 0 399.497 4.411 20 5 GIBDRN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000022184604 818780264 /nfs/dbraw/zinc/78/02/64/818780264.db2.gz BYHLHPAPWXOZBW-UHFFFAOYSA-N 0 0 393.321 4.214 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000177065940 823363230 /nfs/dbraw/zinc/36/32/30/823363230.db2.gz FBVNTPCIQDLNIG-JQWIXIFHSA-N 0 0 377.491 4.381 20 5 GIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c12 ZINC000022227288 818784195 /nfs/dbraw/zinc/78/41/95/818784195.db2.gz 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C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000022471213 818811688 /nfs/dbraw/zinc/81/16/88/818811688.db2.gz KBLCTKYEBZTSSV-CABCVRRESA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000122516799 823366039 /nfs/dbraw/zinc/36/60/39/823366039.db2.gz MQCCGMCNOZLUJK-UHFFFAOYSA-N 0 0 396.422 4.137 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000022596341 818831295 /nfs/dbraw/zinc/83/12/95/818831295.db2.gz OEMLISNDXNKZCM-AWEZNQCLSA-N 0 0 378.384 4.240 20 5 GIBDRN Cc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)NC(C)C ZINC000177089484 823368817 /nfs/dbraw/zinc/36/88/17/823368817.db2.gz JOYGSKACJWWYCV-UHFFFAOYSA-N 0 0 398.463 4.098 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1 ZINC000022809063 818863040 /nfs/dbraw/zinc/86/30/40/818863040.db2.gz ZDQHLBKMDBXAGX-UHFFFAOYSA-N 0 0 393.381 4.388 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(Cl)c3cccnc23)c([N+](=O)[O-])cc1OC 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4.372 20 5 GIBDRN CSc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000123086192 823459871 /nfs/dbraw/zinc/45/98/71/823459871.db2.gz XAOYFAKWVZLSSO-UKRRQHHQSA-N 0 0 392.502 4.107 20 5 GIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000460627793 823460249 /nfs/dbraw/zinc/46/02/49/823460249.db2.gz IGNFDMKKSBYCHG-WFASDCNBSA-N 0 0 397.401 4.286 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(Cl)cc21 ZINC000460632669 823461588 /nfs/dbraw/zinc/46/15/88/823461588.db2.gz CGJCYKDNIHEGNL-LLVKDONJSA-N 0 0 378.837 4.154 20 5 GIBDRN COc1cc(CN(C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027352409 820229343 /nfs/dbraw/zinc/22/93/43/820229343.db2.gz GDBLRLHNYAUKRL-UHFFFAOYSA-N 0 0 386.782 4.490 20 5 GIBDRN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000410323087 823462944 /nfs/dbraw/zinc/46/29/44/823462944.db2.gz ASHZDGVFZPLNQL-NSHDSACASA-N 0 0 383.231 4.328 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(NC(=O)c2cccs2)cc1 ZINC000027388237 820237270 /nfs/dbraw/zinc/23/72/70/820237270.db2.gz KVURIWMNYWPZSJ-UHFFFAOYSA-N 0 0 382.397 4.057 20 5 GIBDRN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000460645797 823465313 /nfs/dbraw/zinc/46/53/13/823465313.db2.gz GEDNQCZWLXLKSD-DNVCBOLYSA-N 0 0 379.460 4.435 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000027659582 820271525 /nfs/dbraw/zinc/27/15/25/820271525.db2.gz QKJIWCWCPRACCJ-LBPRGKRZSA-N 0 0 398.444 4.113 20 5 GIBDRN O=C(CSc1ccccc1Br)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027954982 820300653 /nfs/dbraw/zinc/30/06/53/820300653.db2.gz CHZCZCNHMCRHGP-UHFFFAOYSA-N 0 0 393.262 4.039 20 5 GIBDRN CC(C)Cn1nccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000028098969 820311523 /nfs/dbraw/zinc/31/15/23/820311523.db2.gz LRELQCIGJMDCDO-UHFFFAOYSA-N 0 0 379.420 4.443 20 5 GIBDRN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000028253291 820320900 /nfs/dbraw/zinc/32/09/00/820320900.db2.gz RMWVZGIVCLYORW-UHFFFAOYSA-N 0 0 397.460 4.289 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000189660293 823469614 /nfs/dbraw/zinc/46/96/14/823469614.db2.gz VSZDCKMESXGZDK-IBGZPJMESA-N 0 0 390.386 4.210 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)c1 ZINC000028400290 820333151 /nfs/dbraw/zinc/33/31/51/820333151.db2.gz GQMTVYJMXYUFRG-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN O=C(Nc1cccc(N2CCCC2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000123153729 823470962 /nfs/dbraw/zinc/47/09/62/823470962.db2.gz DNHZGWROLLZGBK-UHFFFAOYSA-N 0 0 380.448 4.392 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000028605381 820344712 /nfs/dbraw/zinc/34/47/12/820344712.db2.gz PDPYPKLLTBXPHY-UHFFFAOYSA-N 0 0 375.356 4.178 20 5 GIBDRN COc1ccc([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2nccn2C)cc1 ZINC000028620573 820346028 /nfs/dbraw/zinc/34/60/28/820346028.db2.gz XYAHEGRLDGCABR-FQEVSTJZSA-N 0 0 389.415 4.087 20 5 GIBDRN C[C@H](c1nnc(Sc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C ZINC000029001435 820382386 /nfs/dbraw/zinc/38/23/86/820382386.db2.gz MWIVOAJVYPOFGA-GFCCVEGCSA-N 0 0 387.440 4.088 20 5 GIBDRN Cc1ccc(-n2c(Sc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)nc1 ZINC000029072567 820389522 /nfs/dbraw/zinc/38/95/22/820389522.db2.gz TZZWTPNZYFJKSW-UHFFFAOYSA-N 0 0 390.424 4.149 20 5 GIBDRN Cc1nc(-c2ccc([C@@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000029099233 820392408 /nfs/dbraw/zinc/39/24/08/820392408.db2.gz KYXZDQXVFFDZGP-CYBMUJFWSA-N 0 0 381.457 4.447 20 5 GIBDRN CCn1c(SCc2nc(C(C)C)no2)nc2cc3ccccc3cc2c1=O ZINC000029142604 820398582 /nfs/dbraw/zinc/39/85/82/820398582.db2.gz GVEVDFDNQXMBBA-UHFFFAOYSA-N 0 0 380.473 4.368 20 5 GIBDRN CC(C)(C)c1nc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n[nH]1 ZINC000029147152 820399487 /nfs/dbraw/zinc/39/94/87/820399487.db2.gz PFHWBNOMXLBCMD-UHFFFAOYSA-N 0 0 382.445 4.393 20 5 GIBDRN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCc2ccccc21 ZINC000029209626 820411375 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GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCC[C@H]1C ZINC000460689849 823481126 /nfs/dbraw/zinc/48/11/26/823481126.db2.gz KXBHHQCBBDHJLE-MRXNPFEDSA-N 0 0 387.484 4.049 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000029527687 820468902 /nfs/dbraw/zinc/46/89/02/820468902.db2.gz GHIJJQGGNSWWJN-UHFFFAOYSA-N 0 0 398.463 4.180 20 5 GIBDRN O=C(NCc1ccc(OCc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000410381929 823482034 /nfs/dbraw/zinc/48/20/34/823482034.db2.gz MEENBONGGRZWJV-UHFFFAOYSA-N 0 0 377.400 4.496 20 5 GIBDRN O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000059020567 823483894 /nfs/dbraw/zinc/48/38/94/823483894.db2.gz KBPZNCLTEPNWBE-IBGZPJMESA-N 0 0 380.375 4.284 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000123254140 823485983 /nfs/dbraw/zinc/48/59/83/823485983.db2.gz PZPCBCWKLQTGFJ-AWEZNQCLSA-N 0 0 398.419 4.247 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1[N+](=O)[O-] ZINC000029818788 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ZINC000181631165 821913184 /nfs/dbraw/zinc/91/31/84/821913184.db2.gz HRQXLHLQNKEZAC-SECBINFHSA-N 0 0 399.419 4.441 20 5 GIBDRN CC(C)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1F ZINC000181635815 821915868 /nfs/dbraw/zinc/91/58/68/821915868.db2.gz MRBVDZMXBQOGRU-SFHVURJKSA-N 0 0 388.374 4.410 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000181713041 821956490 /nfs/dbraw/zinc/95/64/90/821956490.db2.gz QHBLKTGPKKWRSI-JTQLQIEISA-N 0 0 384.379 4.151 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)nn1-c1ccc(F)cc1 ZINC000181733810 821967395 /nfs/dbraw/zinc/96/73/95/821967395.db2.gz ZCLDIIPTAAJZTC-UHFFFAOYSA-N 0 0 391.362 4.029 20 5 GIBDRN CCOc1ccc(-c2noc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000181812290 822003144 /nfs/dbraw/zinc/00/31/44/822003144.db2.gz RZEXYCGNOHZQPE-CQSZACIVSA-N 0 0 382.420 4.203 20 5 GIBDRN Cn1cccc1[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181927865 822038540 /nfs/dbraw/zinc/03/85/40/822038540.db2.gz 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CCOc1cc2c(cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)O[C@@H](C)C2 ZINC000182397359 822228983 /nfs/dbraw/zinc/22/89/83/822228983.db2.gz OUSSEHAZJVBLOU-NWDGAFQWSA-N 0 0 388.395 4.198 20 5 GIBDRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1cscn1 ZINC000182423160 822237960 /nfs/dbraw/zinc/23/79/60/822237960.db2.gz LDIXFTQBDCSUNJ-UHFFFAOYSA-N 0 0 399.428 4.200 20 5 GIBDRN CC[C@H](C)[C@@H](C)C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000182423428 822238013 /nfs/dbraw/zinc/23/80/13/822238013.db2.gz BPHQZFHVSNQQPG-UONOGXRCSA-N 0 0 391.493 4.380 20 5 GIBDRN Cc1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000182429052 822240154 /nfs/dbraw/zinc/24/01/54/822240154.db2.gz MAYQHJKRHKIOCV-UHFFFAOYSA-N 0 0 383.429 4.430 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] ZINC000182434336 822241727 /nfs/dbraw/zinc/24/17/27/822241727.db2.gz ZSFMMCRQSPOOPO-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000182459209 822250554 /nfs/dbraw/zinc/25/05/54/822250554.db2.gz SWEMVCIBZBOFET-RDJZCZTQSA-N 0 0 392.864 4.230 20 5 GIBDRN C[C@@H](C(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182475943 822257562 /nfs/dbraw/zinc/25/75/62/822257562.db2.gz UHFSZFYQVNHGNV-SNVBAGLBSA-N 0 0 386.301 4.052 20 5 GIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182507059 822273195 /nfs/dbraw/zinc/27/31/95/822273195.db2.gz AIWCWKOWEFDADN-SECBINFHSA-N 0 0 386.301 4.308 20 5 GIBDRN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538267 822290505 /nfs/dbraw/zinc/29/05/05/822290505.db2.gz SVXGSDXVHYSZIM-OLZOCXBDSA-N 0 0 395.419 4.015 20 5 GIBDRN C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182541623 822292817 /nfs/dbraw/zinc/29/28/17/822292817.db2.gz CHVPLFNLJNAOLC-GUYCJALGSA-N 0 0 388.395 4.034 20 5 GIBDRN C[C@H](C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182541659 822293032 /nfs/dbraw/zinc/29/30/32/822293032.db2.gz 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Cc1cccc(NC2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000182837918 822375846 /nfs/dbraw/zinc/37/58/46/822375846.db2.gz FZTBSUFMCCGHBP-OAHLLOKOSA-N 0 0 385.439 4.249 20 5 GIBDRN CCOc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000045399090 822384204 /nfs/dbraw/zinc/38/42/04/822384204.db2.gz RMLCRULCXDSATK-UHFFFAOYSA-N 0 0 376.359 4.077 20 5 GIBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000182878633 822384627 /nfs/dbraw/zinc/38/46/27/822384627.db2.gz SXKBAOJTBAKNHY-SECBINFHSA-N 0 0 385.392 4.103 20 5 GIBDRN CC(C)c1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000178499296 822385541 /nfs/dbraw/zinc/38/55/41/822385541.db2.gz GZPCSUXTQFFHBI-UHFFFAOYSA-N 0 0 378.432 4.176 20 5 GIBDRN Cc1cc(Br)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000045456747 822388384 /nfs/dbraw/zinc/38/83/84/822388384.db2.gz KSDXRYHPYDTSAK-UHFFFAOYSA-N 0 0 392.253 4.497 20 5 GIBDRN CCN(CCc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000045467153 822388977 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OBQMCXFDCUIRSS-UHFFFAOYSA-N 0 0 381.819 4.419 20 5 GIBDRN Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000046223599 822451881 /nfs/dbraw/zinc/45/18/81/822451881.db2.gz DJMNDHSJXLJZDE-UHFFFAOYSA-N 0 0 379.416 4.149 20 5 GIBDRN Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000046223613 822451935 /nfs/dbraw/zinc/45/19/35/822451935.db2.gz WAIXSTWZEGUXTE-UHFFFAOYSA-N 0 0 384.823 4.015 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CNC3(c4ccc(F)cc4)CCOCC3)co2)cc1 ZINC000179231223 822454469 /nfs/dbraw/zinc/45/44/69/822454469.db2.gz DRPNEYZONBNUFL-UHFFFAOYSA-N 0 0 397.406 4.184 20 5 GIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179235986 822455487 /nfs/dbraw/zinc/45/54/87/822455487.db2.gz NZFCIAALRXOYBK-HNNXBMFYSA-N 0 0 376.796 4.058 20 5 GIBDRN COc1cc(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-] ZINC000183320640 822458460 /nfs/dbraw/zinc/45/84/60/822458460.db2.gz BFRCOJDHBLAHGQ-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1[N+](=O)[O-] ZINC000179263238 822458710 /nfs/dbraw/zinc/45/87/10/822458710.db2.gz UBMPDTCICKAPLR-AWEZNQCLSA-N 0 0 378.432 4.213 20 5 GIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000454350653 822460801 /nfs/dbraw/zinc/46/08/01/822460801.db2.gz NTJBAMIONWYMOT-CABCVRRESA-N 0 0 398.463 4.140 20 5 GIBDRN CC(C)C(=O)Nc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000046360127 822466005 /nfs/dbraw/zinc/46/60/05/822466005.db2.gz DRMKJQPKRLJKCC-UHFFFAOYSA-N 0 0 384.436 4.020 20 5 GIBDRN O=C(NCCc1nccs1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183449212 822476462 /nfs/dbraw/zinc/47/64/62/822476462.db2.gz WAAZTCOFMBBVSI-UHFFFAOYSA-N 0 0 391.518 4.306 20 5 GIBDRN Cc1c(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000183451411 822477073 /nfs/dbraw/zinc/47/70/73/822477073.db2.gz GTBXJVBULWOFJS-UHFFFAOYSA-N 0 0 388.273 4.358 20 5 GIBDRN CCCOCc1ccccc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000046534991 822483372 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4.420 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000046667429 822500995 /nfs/dbraw/zinc/50/09/95/822500995.db2.gz KYCANXJHYQJJCO-UHFFFAOYSA-N 0 0 386.795 4.085 20 5 GIBDRN Cc1cccc([C@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000183618508 822502205 /nfs/dbraw/zinc/50/22/05/822502205.db2.gz GAMBJJCMLSAINC-OAHLLOKOSA-N 0 0 391.880 4.407 20 5 GIBDRN CCn1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)c2cc(Cl)ccc21 ZINC000183633904 822504306 /nfs/dbraw/zinc/50/43/06/822504306.db2.gz UEZIHDGSYMHXAW-LBPRGKRZSA-N 0 0 399.834 4.074 20 5 GIBDRN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000183647747 822505809 /nfs/dbraw/zinc/50/58/09/822505809.db2.gz IZWWEDPTDUYFQB-SFHVURJKSA-N 0 0 397.822 4.292 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000454612569 822506176 /nfs/dbraw/zinc/50/61/76/822506176.db2.gz MXOZWBZOJNMCFT-YSVLISHTSA-N 0 0 389.477 4.245 20 5 GIBDRN COc1cc(CNC(C)(C)c2cccc(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000179581151 822506591 /nfs/dbraw/zinc/50/65/91/822506591.db2.gz WMMAEDKOSHEYEJ-UHFFFAOYSA-N 0 0 384.354 4.369 20 5 GIBDRN Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)n1 ZINC000179582019 822506800 /nfs/dbraw/zinc/50/68/00/822506800.db2.gz YLRSWBAYWJTPID-UHFFFAOYSA-N 0 0 385.383 4.161 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183701528 822513810 /nfs/dbraw/zinc/51/38/10/822513810.db2.gz OMMYMULKWLVELR-MRXNPFEDSA-N 0 0 398.312 4.046 20 5 GIBDRN Cc1cccc([C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000179624853 822514743 /nfs/dbraw/zinc/51/47/43/822514743.db2.gz JGVGBNISCOSZRW-IERDGZPVSA-N 0 0 390.443 4.448 20 5 GIBDRN O=C(Nc1ccnc2ccnn21)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183720476 822516416 /nfs/dbraw/zinc/51/64/16/822516416.db2.gz HPLGHHQNZSYYOK-UHFFFAOYSA-N 0 0 397.460 4.172 20 5 GIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 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375.494 4.102 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000180450185 822684492 /nfs/dbraw/zinc/68/44/92/822684492.db2.gz UZYTXZPXEMGVCL-UHFFFAOYSA-N 0 0 383.448 4.158 20 5 GIBDRN CC[C@@H](NC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000455624786 822686062 /nfs/dbraw/zinc/68/60/62/822686062.db2.gz YPGQINVOCDLCFO-DJIMGWMZSA-N 0 0 389.477 4.327 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000180489370 822690433 /nfs/dbraw/zinc/69/04/33/822690433.db2.gz ICJBKRWCVNBFHD-UHFFFAOYSA-N 0 0 395.459 4.317 20 5 GIBDRN CC(=O)C[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184784460 822690532 /nfs/dbraw/zinc/69/05/32/822690532.db2.gz LAIISHOILIUXRC-NSHDSACASA-N 0 0 392.864 4.497 20 5 GIBDRN CCc1cc(NC(=O)c2cc(-c3cccnc3)on2)c2cc([N+](=O)[O-])ccc2n1 ZINC000180505639 822692807 /nfs/dbraw/zinc/69/28/07/822692807.db2.gz MTEUJDPWDKCODB-UHFFFAOYSA-N 0 0 389.371 4.008 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000180509248 822693792 /nfs/dbraw/zinc/69/37/92/822693792.db2.gz GEDBTAVOBUNTSU-FUHWJXTLSA-N 0 0 395.242 4.091 20 5 GIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455672310 822696852 /nfs/dbraw/zinc/69/68/52/822696852.db2.gz ZZRLOWDLZQAXHD-OAHLLOKOSA-N 0 0 389.839 4.116 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000180547971 822699976 /nfs/dbraw/zinc/69/99/76/822699976.db2.gz FZZGLZXGNOREKQ-GOSISDBHSA-N 0 0 390.443 4.161 20 5 GIBDRN CC[C@@H](CSC)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000180551290 822700588 /nfs/dbraw/zinc/70/05/88/822700588.db2.gz MKLGTJRQXCKEQX-ZFWWWQNUSA-N 0 0 388.493 4.034 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)c(Cl)c1F ZINC000180554740 822701409 /nfs/dbraw/zinc/70/14/09/822701409.db2.gz NAZKCRAKBIBOKB-UHFFFAOYSA-N 0 0 378.665 4.380 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000184860271 822701970 /nfs/dbraw/zinc/70/19/70/822701970.db2.gz WWNHOKUNZHAIRQ-LJQANCHMSA-N 0 0 382.460 4.308 20 5 GIBDRN CC(C)(C)c1csc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000180561982 822702899 /nfs/dbraw/zinc/70/28/99/822702899.db2.gz KGRGYWJVDKMNOI-UHFFFAOYSA-N 0 0 398.282 4.041 20 5 GIBDRN CC(C)(NC(=O)Nc1nc(CC(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000455693953 822704050 /nfs/dbraw/zinc/70/40/50/822704050.db2.gz BBLBTDLRPVFWJD-UHFFFAOYSA-N 0 0 388.371 4.213 20 5 GIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000184880568 822706334 /nfs/dbraw/zinc/70/63/34/822706334.db2.gz QNNTWCVGALPHMH-AWEZNQCLSA-N 0 0 399.447 4.003 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000184885054 822707060 /nfs/dbraw/zinc/70/70/60/822707060.db2.gz TVVOOOLJZIEFDY-OAHLLOKOSA-N 0 0 392.419 4.041 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000049768793 822708383 /nfs/dbraw/zinc/70/83/83/822708383.db2.gz ZOTHFUBYWNAFAX-UHFFFAOYSA-N 0 0 388.273 4.358 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896782 822709322 /nfs/dbraw/zinc/70/93/22/822709322.db2.gz KYQREHIIQPLINA-HNNXBMFYSA-N 0 0 394.431 4.238 20 5 GIBDRN CCc1nc(-c2ccccc2NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000184904544 822710843 /nfs/dbraw/zinc/71/08/43/822710843.db2.gz NDMBSBJPGFKKEJ-OAHLLOKOSA-N 0 0 393.447 4.150 20 5 GIBDRN Cn1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000455718925 822712638 /nfs/dbraw/zinc/71/26/38/822712638.db2.gz MRHSCPQTBIZSLU-UHFFFAOYSA-N 0 0 385.468 4.433 20 5 GIBDRN COc1cccc([C@@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000180617717 822713428 /nfs/dbraw/zinc/71/34/28/822713428.db2.gz UMRPRDCAWXHAAG-SNVBAGLBSA-N 0 0 379.210 4.108 20 5 GIBDRN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000180618977 822713895 /nfs/dbraw/zinc/71/38/95/822713895.db2.gz ZSDNBLDSDJWEEU-AWEZNQCLSA-N 0 0 397.401 4.166 20 5 GIBDRN Cc1c(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000184942177 822716335 /nfs/dbraw/zinc/71/63/35/822716335.db2.gz NSZZJCGOOYGPRQ-QGZVFWFLSA-N 0 0 375.812 4.162 20 5 GIBDRN CSc1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000184947881 822717129 /nfs/dbraw/zinc/71/71/29/822717129.db2.gz GDZHZEHYZWSRRU-GFCCVEGCSA-N 0 0 378.400 4.225 20 5 GIBDRN COc1ccc(OCCS[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000050249476 822722629 /nfs/dbraw/zinc/72/26/29/822722629.db2.gz MERSPMHCDPDTOI-CQSZACIVSA-N 0 0 390.461 4.051 20 5 GIBDRN O=C(Nc1ccc(F)c(F)c1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050256782 822723097 /nfs/dbraw/zinc/72/30/97/822723097.db2.gz RPBOFVNIVJHUJX-UHFFFAOYSA-N 0 0 379.319 4.388 20 5 GIBDRN O=C(Nc1ccc2c(c1)OCCCO2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050291009 822723817 /nfs/dbraw/zinc/72/38/17/822723817.db2.gz ORRFVXAGOKDIAR-UHFFFAOYSA-N 0 0 397.412 4.132 20 5 GIBDRN CN(CCCOc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050313636 822725056 /nfs/dbraw/zinc/72/50/56/822725056.db2.gz AQXZZWXVGLUNDV-UHFFFAOYSA-N 0 0 397.456 4.259 20 5 GIBDRN O=C(Nc1cccc(-n2cccn2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050314846 822725219 /nfs/dbraw/zinc/72/52/19/822725219.db2.gz SATPGMHFFKDZRZ-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN COCCN(C(=O)[C@@H](C)CC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000185014839 822725522 /nfs/dbraw/zinc/72/55/22/822725522.db2.gz PQBRIDVAJZFNLC-AWEZNQCLSA-N 0 0 391.493 4.380 20 5 GIBDRN Cc1ccc(CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)o1 ZINC000050332127 822725977 /nfs/dbraw/zinc/72/59/77/822725977.db2.gz CEHCRVDVWDKDEE-UHFFFAOYSA-N 0 0 383.429 4.425 20 5 GIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185047536 822728993 /nfs/dbraw/zinc/72/89/93/822728993.db2.gz VARBCJIHZUEANV-KZULUSFZSA-N 0 0 392.814 4.091 20 5 GIBDRN C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185051710 822729632 /nfs/dbraw/zinc/72/96/32/822729632.db2.gz QSXYDMFEEXWASA-UONOGXRCSA-N 0 0 397.406 4.385 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000185067067 822731806 /nfs/dbraw/zinc/73/18/06/822731806.db2.gz SXJIDFKVOQIKLR-QGZVFWFLSA-N 0 0 380.444 4.185 20 5 GIBDRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050611735 822734835 /nfs/dbraw/zinc/73/48/35/822734835.db2.gz PMCNWMUVQLJDSY-UHFFFAOYSA-N 0 0 391.412 4.361 20 5 GIBDRN CCOc1ccc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000050894399 822741791 /nfs/dbraw/zinc/74/17/91/822741791.db2.gz WPKWVQYNPQUMQX-NQIIRXRSSA-N 0 0 398.459 4.233 20 5 GIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000051035696 822744785 /nfs/dbraw/zinc/74/47/85/822744785.db2.gz LTSUBJCGGYZXQO-XGICHPGQSA-N 0 0 378.340 4.059 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(OC)ccc1OC(F)F ZINC000185231587 822752350 /nfs/dbraw/zinc/75/23/50/822752350.db2.gz NKRRFLHAVWVIOQ-ZDUSSCGKSA-N 0 0 394.374 4.412 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185264016 822756576 /nfs/dbraw/zinc/75/65/76/822756576.db2.gz HTILGJDFSIUYOS-JKSUJKDBSA-N 0 0 390.361 4.307 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185275234 822758259 /nfs/dbraw/zinc/75/82/59/822758259.db2.gz DPTZICWRQDJWLY-LSDHHAIUSA-N 0 0 390.361 4.307 20 5 GIBDRN Cc1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(-c2ccccc2)o1 ZINC000185280985 822758931 /nfs/dbraw/zinc/75/89/31/822758931.db2.gz BPNPZCDAPUUODF-UHFFFAOYSA-N 0 0 389.371 4.201 20 5 GIBDRN O=C([C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185304582 822762665 /nfs/dbraw/zinc/76/26/65/822762665.db2.gz CLSGLRVQYQJUOG-CVEARBPZSA-N 0 0 390.361 4.307 20 5 GIBDRN CNc1nc(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)ccc1[N+](=O)[O-] ZINC000456000822 822764521 /nfs/dbraw/zinc/76/45/21/822764521.db2.gz FPIPEDBFPUICDV-QIAWRQBBSA-N 0 0 386.477 4.191 20 5 GIBDRN Cc1c(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000051536429 822764991 /nfs/dbraw/zinc/76/49/91/822764991.db2.gz IFBLNKKRCZXRHA-UHFFFAOYSA-N 0 0 382.247 4.281 20 5 GIBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000456002394 822764978 /nfs/dbraw/zinc/76/49/78/822764978.db2.gz WDRQVXGGQZDBLK-XFBWCDHKSA-N 0 0 389.249 4.338 20 5 GIBDRN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051551287 822765404 /nfs/dbraw/zinc/76/54/04/822765404.db2.gz LBDHJKJQAQVZQM-UHFFFAOYSA-N 0 0 399.384 4.026 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000185326097 822766348 /nfs/dbraw/zinc/76/63/48/822766348.db2.gz WAZUDMDXZBOLJJ-AVRDEDQJSA-N 0 0 389.455 4.464 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000185326132 822766538 /nfs/dbraw/zinc/76/65/38/822766538.db2.gz WAZUDMDXZBOLJJ-PGRDOPGGSA-N 0 0 389.455 4.464 20 5 GIBDRN COc1ccc(-c2cnc(CNc3cc([N+](=O)[O-])ccc3OC(F)F)o2)cc1 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384.432 4.044 20 5 GIBDRN CSc1nnc(CCCNc2ccc([N+](=O)[O-])cc2F)n1C1CCCC1 ZINC000053557169 822840908 /nfs/dbraw/zinc/84/09/08/822840908.db2.gz NDYNPHTYKGTWHG-UHFFFAOYSA-N 0 0 379.461 4.207 20 5 GIBDRN Cc1cc(C)c(NC(=O)CN(C)Cc2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000174817064 822841395 /nfs/dbraw/zinc/84/13/95/822841395.db2.gz ABPLTRBWOMUAPO-UHFFFAOYSA-N 0 0 375.856 4.244 20 5 GIBDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185998038 822842376 /nfs/dbraw/zinc/84/23/76/822842376.db2.gz QJJXXVKMCIMORR-UHFFFAOYSA-N 0 0 377.404 4.181 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1OC(F)F ZINC000186006636 822843271 /nfs/dbraw/zinc/84/32/71/822843271.db2.gz MFMSNHXVMXYHJC-UHFFFAOYSA-N 0 0 386.738 4.257 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000186016794 822844065 /nfs/dbraw/zinc/84/40/65/822844065.db2.gz ATMNOEFUSPIJDX-NSHDSACASA-N 0 0 396.900 4.478 20 5 GIBDRN Cc1cc(Br)cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000186019855 822844395 /nfs/dbraw/zinc/84/43/95/822844395.db2.gz DWMGPVLDHURSQB-UHFFFAOYSA-N 0 0 389.209 4.328 20 5 GIBDRN CC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000174842212 822844994 /nfs/dbraw/zinc/84/49/94/822844994.db2.gz KVMAWFIIHYRDNR-VIFPVBQESA-N 0 0 377.319 4.090 20 5 GIBDRN COc1ccc2cc(CNC(=O)c3cccc(SC)c3[N+](=O)[O-])ccc2c1 ZINC000186029389 822845275 /nfs/dbraw/zinc/84/52/75/822845275.db2.gz RNCXTJOMVSTVFZ-UHFFFAOYSA-N 0 0 382.441 4.409 20 5 GIBDRN O=C(OCc1cccc([N+](=O)[O-])c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000053729430 822846554 /nfs/dbraw/zinc/84/65/54/822846554.db2.gz GJZNBIBKQZOWOJ-UHFFFAOYSA-N 0 0 375.808 4.040 20 5 GIBDRN COc1cccc([C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000174854040 822846692 /nfs/dbraw/zinc/84/66/92/822846692.db2.gz FOXHXRNYHVQHHX-MRXNPFEDSA-N 0 0 387.435 4.468 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1[N+](=O)[O-] ZINC000186049982 822847209 /nfs/dbraw/zinc/84/72/09/822847209.db2.gz RGDUDAMAIWENFI-UHFFFAOYSA-N 0 0 397.412 4.414 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000457039960 822847617 /nfs/dbraw/zinc/84/76/17/822847617.db2.gz MDJOEXRMNQXGQP-LLVKDONJSA-N 0 0 380.347 4.004 20 5 GIBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000174860982 822847876 /nfs/dbraw/zinc/84/78/76/822847876.db2.gz ZLWKUKFVIJLHPD-SNVBAGLBSA-N 0 0 377.319 4.090 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000457056187 822848590 /nfs/dbraw/zinc/84/85/90/822848590.db2.gz QGKCOXFEGFQZTA-GOSISDBHSA-N 0 0 398.459 4.063 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000186075482 822849496 /nfs/dbraw/zinc/84/94/96/822849496.db2.gz NVCFZXWCEOCRLG-JTQLQIEISA-N 0 0 382.388 4.409 20 5 GIBDRN COc1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1F ZINC000457074011 822850235 /nfs/dbraw/zinc/85/02/35/822850235.db2.gz KEVODGHUABZXCZ-OCCSQVGLSA-N 0 0 392.814 4.462 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000053857593 822851189 /nfs/dbraw/zinc/85/11/89/822851189.db2.gz SDWCKDHMRDCWKO-UHFFFAOYSA-N 0 0 379.397 4.395 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000186119342 822853315 /nfs/dbraw/zinc/85/33/15/822853315.db2.gz AXGFODIUBMGBLU-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053988359 822855632 /nfs/dbraw/zinc/85/56/32/822855632.db2.gz AHZZXFXBUSWUKI-UHFFFAOYSA-N 0 0 391.836 4.471 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1[N+](=O)[O-] ZINC000186148394 822855768 /nfs/dbraw/zinc/85/57/68/822855768.db2.gz IQCNTKAWYFVFKS-UHFFFAOYSA-N 0 0 385.445 4.226 20 5 GIBDRN COc1cc(OCC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000457266648 822862647 /nfs/dbraw/zinc/86/26/47/822862647.db2.gz CLNMZZPXJFQWOU-NRFANRHFSA-N 0 0 396.443 4.126 20 5 GIBDRN O=C(c1ccsc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000054124831 822863220 /nfs/dbraw/zinc/86/32/20/822863220.db2.gz BKOFIDFYOMNGRJ-UHFFFAOYSA-N 0 0 399.394 4.028 20 5 GIBDRN C[C@@H](CCCC(F)(F)F)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000569000513 822868892 /nfs/dbraw/zinc/86/88/92/822868892.db2.gz KVLMJVIGWNVNEI-NSHDSACASA-N 0 0 379.354 4.104 20 5 GIBDRN CCOc1cccc2[nH]cc(Cc3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)c21 ZINC000569034963 822871702 /nfs/dbraw/zinc/87/17/02/822871702.db2.gz HAEBQNXMFKDTRM-UHFFFAOYSA-N 0 0 378.388 4.424 20 5 GIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)C1 ZINC000054277892 822872580 /nfs/dbraw/zinc/87/25/80/822872580.db2.gz ALBPACQDQGIRBN-GFCCVEGCSA-N 0 0 399.476 4.017 20 5 GIBDRN CCOc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Br ZINC000186313228 822874857 /nfs/dbraw/zinc/87/48/57/822874857.db2.gz WSPFMMAPYFJXJW-UHFFFAOYSA-N 0 0 379.210 4.317 20 5 GIBDRN O=C(Nc1ccccc1N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175070102 822877193 /nfs/dbraw/zinc/87/71/93/822877193.db2.gz AWSYJGXNPUTBPP-UHFFFAOYSA-N 0 0 379.338 4.466 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccco1)CC(F)(F)F ZINC000175075484 822878014 /nfs/dbraw/zinc/87/80/14/822878014.db2.gz DXDWYSOPMSKIOW-UHFFFAOYSA-N 0 0 396.243 4.411 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)c1[N+](=O)[O-] ZINC000186340983 822878547 /nfs/dbraw/zinc/87/85/47/822878547.db2.gz XTUOJYKSGZUJQE-UHFFFAOYSA-N 0 0 376.825 4.109 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)[C@@H](C)Cc2ccsc2)cc1OC ZINC000186372732 822883723 /nfs/dbraw/zinc/88/37/23/822883723.db2.gz OZCBRUALNATMRP-ZDUSSCGKSA-N 0 0 392.477 4.157 20 5 GIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000175120807 822886256 /nfs/dbraw/zinc/88/62/56/822886256.db2.gz AZGYETGZWFMOHK-LBPRGKRZSA-N 0 0 390.399 4.114 20 5 GIBDRN CC(C)c1nn(C)c2sc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)cc12 ZINC000175120736 822886295 /nfs/dbraw/zinc/88/62/95/822886295.db2.gz KFOASZDSKIKKPZ-NSHDSACASA-N 0 0 384.461 4.258 20 5 GIBDRN O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2F)cc1)c1ccccc1 ZINC000054454257 822887314 /nfs/dbraw/zinc/88/73/14/822887314.db2.gz GJJBAAHTXLRTCA-UHFFFAOYSA-N 0 0 380.331 4.205 20 5 GIBDRN COc1ccc(CSCC(=O)N2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000569172669 822888336 /nfs/dbraw/zinc/88/83/36/822888336.db2.gz ZIHQTFSEFVSAHQ-UHFFFAOYSA-N 0 0 378.494 4.019 20 5 GIBDRN COc1ccc2cc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c2c1 ZINC000569185367 822890000 /nfs/dbraw/zinc/89/00/00/822890000.db2.gz SDGSXUJDDPVNOT-UHFFFAOYSA-N 0 0 393.321 4.034 20 5 GIBDRN CCO[C@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CCCC1 ZINC000175170348 822897007 /nfs/dbraw/zinc/89/70/07/822897007.db2.gz JOTOIQMZHNKGOJ-HXUWFJFHSA-N 0 0 389.496 4.228 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000175188262 822900808 /nfs/dbraw/zinc/90/08/08/822900808.db2.gz CUGMDSVHWSWUJP-OAHLLOKOSA-N 0 0 398.463 4.058 20 5 GIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1/C=C/c1ccccc1 ZINC000569291512 822902697 /nfs/dbraw/zinc/90/26/97/822902697.db2.gz GNEXUTZIGQHRSG-PEKVBPLLSA-N 0 0 375.432 4.073 20 5 GIBDRN CCOc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F ZINC000054773273 822911543 /nfs/dbraw/zinc/91/15/43/822911543.db2.gz GRJQBFCHHYBTFZ-UHFFFAOYSA-N 0 0 398.337 4.006 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c(C)c1 ZINC000054773868 822911560 /nfs/dbraw/zinc/91/15/60/822911560.db2.gz AKKJGQYGBXSLKR-UHFFFAOYSA-N 0 0 384.407 4.086 20 5 GIBDRN C[C@@](CO)(CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)Cc1ccccc1 ZINC000569369653 822912211 /nfs/dbraw/zinc/91/22/11/822912211.db2.gz BURRCSCWRJYRCM-MSOLQXFVSA-N 0 0 382.382 4.029 20 5 GIBDRN COc1ccc2nc(-c3noc(COc4ccc([N+](=O)[O-])c(C)c4)n3)ccc2c1 ZINC000569389466 822914981 /nfs/dbraw/zinc/91/49/81/822914981.db2.gz VMIUQIACXLSSMY-UHFFFAOYSA-N 0 0 392.371 4.089 20 5 GIBDRN Cc1cccc(COc2cccc(CC(=O)N(C)c3ccc([N+](=O)[O-])nc3)c2)c1 ZINC000569406189 822917858 /nfs/dbraw/zinc/91/78/58/822917858.db2.gz IZTCZNSWFFNBDH-UHFFFAOYSA-N 0 0 391.427 4.083 20 5 GIBDRN O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccncc3)n2C2CC2)cc1 ZINC000054915265 822921659 /nfs/dbraw/zinc/92/16/59/822921659.db2.gz PMXIJHNEYIJGOM-UHFFFAOYSA-N 0 0 397.460 4.144 20 5 GIBDRN C[C@H](c1ccccc1)n1cnnc1SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000054917205 822921834 /nfs/dbraw/zinc/92/18/34/822921834.db2.gz IUOWLWKRWHNFCY-OAHLLOKOSA-N 0 0 384.461 4.357 20 5 GIBDRN CCOc1cc(C)ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175275506 822921958 /nfs/dbraw/zinc/92/19/58/822921958.db2.gz ZZUQKZUEILNOAU-UHFFFAOYSA-N 0 0 399.447 4.377 20 5 GIBDRN CC(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccnc1 ZINC000175299987 822928834 /nfs/dbraw/zinc/92/88/34/822928834.db2.gz YHDMSWRBTZGAKI-OAQYLSRUSA-N 0 0 399.494 4.106 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(Br)c(C)n2)c1[N+](=O)[O-] ZINC000186646547 822929157 /nfs/dbraw/zinc/92/91/57/822929157.db2.gz PWPQOVDUGTXARD-UHFFFAOYSA-N 0 0 382.239 4.035 20 5 GIBDRN CC(C)C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000055062333 822935951 /nfs/dbraw/zinc/93/59/51/822935951.db2.gz XKCSISYMXFWYGY-QGZVFWFLSA-N 0 0 396.447 4.144 20 5 GIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175351494 822942136 /nfs/dbraw/zinc/94/21/36/822942136.db2.gz SNOQYTJEKNDSDG-AWEZNQCLSA-N 0 0 376.796 4.058 20 5 GIBDRN Cc1sc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000186722575 822944731 /nfs/dbraw/zinc/94/47/31/822944731.db2.gz UGBSUPKQPMLZKV-UHFFFAOYSA-N 0 0 385.367 4.095 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000055365448 822954835 /nfs/dbraw/zinc/95/48/35/822954835.db2.gz HJWZOQDCYVMRSN-UHFFFAOYSA-N 0 0 392.236 4.189 20 5 GIBDRN CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccccn1 ZINC000055419344 822959750 /nfs/dbraw/zinc/95/97/50/822959750.db2.gz LHCUVCMJOQRYEE-JOCHJYFZSA-N 0 0 391.427 4.007 20 5 GIBDRN COc1cccc2c1C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C2 ZINC000458135213 822961233 /nfs/dbraw/zinc/96/12/33/822961233.db2.gz MLWRWVIWVRISLF-AWEZNQCLSA-N 0 0 386.473 4.001 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000569747526 822962758 /nfs/dbraw/zinc/96/27/58/822962758.db2.gz SNKDUKBPYDGBSU-OALUTQOASA-N 0 0 387.411 4.338 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415743 822963761 /nfs/dbraw/zinc/96/37/61/822963761.db2.gz ZVBWIGGEOAAFGX-UWJYYQICSA-N 0 0 397.475 4.089 20 5 GIBDRN O=C(NC1CCC(C(F)F)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000458161476 822963907 /nfs/dbraw/zinc/96/39/07/822963907.db2.gz KNZWCZRLAMAPKQ-UHFFFAOYSA-N 0 0 381.404 4.272 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000055457270 822965798 /nfs/dbraw/zinc/96/57/98/822965798.db2.gz GRKWVUHQAPKQBL-CQSZACIVSA-N 0 0 378.837 4.224 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055464716 822966776 /nfs/dbraw/zinc/96/67/76/822966776.db2.gz PSTIVDNLXMTTEZ-CYBMUJFWSA-N 0 0 398.850 4.292 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055465687 822966799 /nfs/dbraw/zinc/96/67/99/822966799.db2.gz SHLXCBFRCVSKQD-CYBMUJFWSA-N 0 0 395.440 4.400 20 5 GIBDRN C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055465686 822966804 /nfs/dbraw/zinc/96/68/04/822966804.db2.gz SHLXCBFRCVSKQD-ZDUSSCGKSA-N 0 0 395.440 4.400 20 5 GIBDRN CCOc1c(Cl)cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000055464704 822966835 /nfs/dbraw/zinc/96/68/35/822966835.db2.gz IMTYVRXRHHGRFV-LLVKDONJSA-N 0 0 378.812 4.147 20 5 GIBDRN C[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000055466460 822967095 /nfs/dbraw/zinc/96/70/95/822967095.db2.gz USSILOTYMLTJNC-OAHLLOKOSA-N 0 0 396.443 4.055 20 5 GIBDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466322 822967115 /nfs/dbraw/zinc/96/71/15/822967115.db2.gz NVFFURFRHBVRCB-GFCCVEGCSA-N 0 0 389.477 4.440 20 5 GIBDRN C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000055467246 822967249 /nfs/dbraw/zinc/96/72/49/822967249.db2.gz AXRTXNZMNWVFCM-AWEZNQCLSA-N 0 0 381.457 4.062 20 5 GIBDRN 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822976214 /nfs/dbraw/zinc/97/62/14/822976214.db2.gz GOJUKPZBPIRPCJ-UHFFFAOYSA-N 0 0 381.310 4.162 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(F)c(F)c4C3)n2C2CC2)c1 ZINC000569857807 822976912 /nfs/dbraw/zinc/97/69/12/822976912.db2.gz PRJIWQFIULKYCW-UHFFFAOYSA-N 0 0 397.385 4.029 20 5 GIBDRN Cc1cc(-c2ncccc2NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000186907178 822977719 /nfs/dbraw/zinc/97/77/19/822977719.db2.gz HYAOMHAWBMXKCJ-UHFFFAOYSA-N 0 0 382.445 4.102 20 5 GIBDRN COC(=O)c1scc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186911821 822978623 /nfs/dbraw/zinc/97/86/23/822978623.db2.gz CTPSFNFECYLECP-UHFFFAOYSA-N 0 0 388.323 4.022 20 5 GIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055560823 822978987 /nfs/dbraw/zinc/97/89/87/822978987.db2.gz WZAPWLZIMJEDON-UHFFFAOYSA-N 0 0 399.422 4.357 20 5 GIBDRN CC[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1nc(C)cs1 ZINC000458308614 822981463 /nfs/dbraw/zinc/98/14/63/822981463.db2.gz ITSCZDLUCAFIPY-WBVHZDCISA-N 0 0 388.493 4.400 20 5 GIBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055593076 822983975 /nfs/dbraw/zinc/98/39/75/822983975.db2.gz HOUAUOLPYNVIHJ-GASCZTMLSA-N 0 0 395.459 4.274 20 5 GIBDRN Cc1c(Br)scc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000186976084 822990723 /nfs/dbraw/zinc/99/07/23/822990723.db2.gz BAUBVSUFXICAJV-UHFFFAOYSA-N 0 0 381.251 4.320 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)CCO2 ZINC000569978751 822992461 /nfs/dbraw/zinc/99/24/61/822992461.db2.gz ICBOTALNXFCIRA-UHFFFAOYSA-N 0 0 384.823 4.033 20 5 GIBDRN CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000175538583 822993176 /nfs/dbraw/zinc/99/31/76/822993176.db2.gz FNAUFQIESJRKSE-HNNXBMFYSA-N 0 0 393.237 4.247 20 5 GIBDRN COc1cccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1OC1CCCC1 ZINC000570018702 822997652 /nfs/dbraw/zinc/99/76/52/822997652.db2.gz XJBJNFAHNJEOQP-OAHLLOKOSA-N 0 0 398.459 4.345 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000570046967 823000718 /nfs/dbraw/zinc/00/07/18/823000718.db2.gz OPDLPVRXSHIMRB-LIRRHRJNSA-N 0 0 386.473 4.167 20 5 GIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000187066975 823005976 /nfs/dbraw/zinc/00/59/76/823005976.db2.gz GALSNCFMLYHAKG-LIRRHRJNSA-N 0 0 388.851 4.169 20 5 GIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cs2)cc1 ZINC000175675434 823017942 /nfs/dbraw/zinc/01/79/42/823017942.db2.gz ZRKMINKXNSGCJJ-UHFFFAOYSA-N 0 0 398.444 4.002 20 5 GIBDRN C/C=C/C[C@H](CO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000187202034 823024321 /nfs/dbraw/zinc/02/43/21/823024321.db2.gz BGYFTLUHCKOTCH-XYBNCVKDSA-N 0 0 390.823 4.097 20 5 GIBDRN Cc1nn(CCC(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000175708969 823024744 /nfs/dbraw/zinc/02/47/44/823024744.db2.gz YVEBTJDNOXWTIZ-GXTWGEPZSA-N 0 0 392.887 4.102 20 5 GIBDRN CSc1cccc(N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175735919 823029367 /nfs/dbraw/zinc/02/93/67/823029367.db2.gz 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Cc1cc(Cc2noc(-c3ccn(-c4ccc(F)cc4F)n3)n2)ccc1[N+](=O)[O-] ZINC000570434265 823037848 /nfs/dbraw/zinc/03/78/48/823037848.db2.gz KVFODXBXZISZRI-UHFFFAOYSA-N 0 0 397.341 4.008 20 5 GIBDRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000570465517 823041337 /nfs/dbraw/zinc/04/13/37/823041337.db2.gz LLLUFRIVBZOREP-SJCJKPOMSA-N 0 0 375.375 4.037 20 5 GIBDRN O=C(Nc1sc2c(c1C(=O)c1ccncc1)CCC2)c1csc([N+](=O)[O-])c1 ZINC000187314019 823041864 /nfs/dbraw/zinc/04/18/64/823041864.db2.gz ASMJNNHGCUBTQF-UHFFFAOYSA-N 0 0 399.453 4.085 20 5 GIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000175797686 823042588 /nfs/dbraw/zinc/04/25/88/823042588.db2.gz HSKXHRUFAANNRE-CQSZACIVSA-N 0 0 396.472 4.058 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000060555626 823541973 /nfs/dbraw/zinc/54/19/73/823541973.db2.gz TUFFUVUEUPJLRD-CQSZACIVSA-N 0 0 379.416 4.046 20 5 GIBDRN COc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2C)c([N+](=O)[O-])cc1OC ZINC000411077737 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MLTRDOYYSSGDQS-NSHDSACASA-N 0 0 384.329 4.456 20 5 GIBDRN CCC[C@@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000411121961 823549792 /nfs/dbraw/zinc/54/97/92/823549792.db2.gz MRPDBTHDHIMZGI-CYBMUJFWSA-N 0 0 386.395 4.294 20 5 GIBDRN CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1cccc(Cl)c1 ZINC000411130684 823550490 /nfs/dbraw/zinc/55/04/90/823550490.db2.gz IFPZIGSPIWROKR-HNNXBMFYSA-N 0 0 389.839 4.071 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1csc(COC)n1 ZINC000460958009 823550589 /nfs/dbraw/zinc/55/05/89/823550589.db2.gz ODBJYORQFGUVFK-UHFFFAOYSA-N 0 0 395.506 4.020 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000411166830 823553637 /nfs/dbraw/zinc/55/36/37/823553637.db2.gz UUQMEKYMDNTQIV-CYBMUJFWSA-N 0 0 389.839 4.023 20 5 GIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C2CC2)cc1 ZINC000411181665 823555122 /nfs/dbraw/zinc/55/51/22/823555122.db2.gz UUHSUUQBXMGSEC-UHFFFAOYSA-N 0 0 384.432 4.195 20 5 GIBDRN 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0 0 379.420 4.280 20 5 GIBDRN Cc1cc([C@@H]2CN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000191348614 823675008 /nfs/dbraw/zinc/67/50/08/823675008.db2.gz PEFDZCWXMVLRMX-IBGZPJMESA-N 0 0 387.411 4.265 20 5 GIBDRN CC(C)(C)c1nnsc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191351905 823675435 /nfs/dbraw/zinc/67/54/35/823675435.db2.gz NUJJWZLUZGBOFX-UHFFFAOYSA-N 0 0 389.462 4.120 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000191365296 823676958 /nfs/dbraw/zinc/67/69/58/823676958.db2.gz DDYGZOWVFLJAOD-UHFFFAOYSA-N 0 0 396.447 4.094 20 5 GIBDRN COc1cc(F)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000125459357 823677888 /nfs/dbraw/zinc/67/78/88/823677888.db2.gz MGVVVVUNKHMZPQ-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000191372373 823678002 /nfs/dbraw/zinc/67/80/02/823678002.db2.gz CQQGOSWEBFSECO-PGGUUEOZSA-N 0 0 389.477 4.174 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000191372390 823678083 /nfs/dbraw/zinc/67/80/83/823678083.db2.gz CQQGOSWEBFSECO-LOKFHWFJSA-N 0 0 389.477 4.174 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000191382153 823678698 /nfs/dbraw/zinc/67/86/98/823678698.db2.gz PLXVQAPJGYKPDU-MRXNPFEDSA-N 0 0 383.404 4.309 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)CC1 ZINC000461682705 823680656 /nfs/dbraw/zinc/68/06/56/823680656.db2.gz OYEUEEKTCVIUKA-VQIMIIECSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000191411856 823682116 /nfs/dbraw/zinc/68/21/16/823682116.db2.gz YBULDKUOJITUID-UHFFFAOYSA-N 0 0 383.433 4.052 20 5 GIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000063597858 823682161 /nfs/dbraw/zinc/68/21/61/823682161.db2.gz GLMIDKHILXPBNX-UHFFFAOYSA-N 0 0 384.823 4.068 20 5 GIBDRN Cc1csc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1Br ZINC000191417691 823682943 /nfs/dbraw/zinc/68/29/43/823682943.db2.gz UCAKDRXYAVHABH-UHFFFAOYSA-N 0 0 381.251 4.320 20 5 GIBDRN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 ZINC000125533657 823683405 /nfs/dbraw/zinc/68/34/05/823683405.db2.gz GATVCONECXNMBP-CYBMUJFWSA-N 0 0 398.444 4.381 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 ZINC000412814228 823684870 /nfs/dbraw/zinc/68/48/70/823684870.db2.gz NTTYMHDAJCQZKY-GDBMZVCRSA-N 0 0 384.432 4.079 20 5 GIBDRN Cc1cc(Sc2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461771815 823693658 /nfs/dbraw/zinc/69/36/58/823693658.db2.gz AEESUDSORQSUKX-UHFFFAOYSA-N 0 0 391.392 4.477 20 5 GIBDRN Cc1cc(NCc2ccc(NC(=O)c3ccncc3)cc2)c(F)cc1[N+](=O)[O-] ZINC000461778119 823694513 /nfs/dbraw/zinc/69/45/13/823694513.db2.gz HLSMYODMSMWGEV-UHFFFAOYSA-N 0 0 380.379 4.302 20 5 GIBDRN CCN(CCC1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461806654 823698306 /nfs/dbraw/zinc/69/83/06/823698306.db2.gz DIYKDNCZEJCGCB-LJQANCHMSA-N 0 0 399.495 4.049 20 5 GIBDRN CCN(CCC1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461806653 823698318 /nfs/dbraw/zinc/69/83/18/823698318.db2.gz DIYKDNCZEJCGCB-IBGZPJMESA-N 0 0 399.495 4.049 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](CC)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC ZINC000125712886 823699254 /nfs/dbraw/zinc/69/92/54/823699254.db2.gz QCXJCIWZNWUOLD-OAHLLOKOSA-N 0 0 394.374 4.161 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)[C@@H]1C ZINC000461810327 823699395 /nfs/dbraw/zinc/69/93/95/823699395.db2.gz GOCHYBPTJKFTSL-MDZRGWNJSA-N 0 0 399.495 4.047 20 5 GIBDRN CCCCNC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413049945 823701807 /nfs/dbraw/zinc/70/18/07/823701807.db2.gz CYEYIBBSXRQAEL-UHFFFAOYSA-N 0 0 396.369 4.151 20 5 GIBDRN COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000063848851 823701879 /nfs/dbraw/zinc/70/18/79/823701879.db2.gz DDJRJUPZSADGOS-UHFFFAOYSA-N 0 0 398.440 4.096 20 5 GIBDRN CCN(CC)C(=O)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413054329 823702037 /nfs/dbraw/zinc/70/20/37/823702037.db2.gz QBORWBCXIWSTFI-UHFFFAOYSA-N 0 0 396.369 4.163 20 5 GIBDRN C[C@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)C1 ZINC000461823670 823703545 /nfs/dbraw/zinc/70/35/45/823703545.db2.gz BNIOXHRFTQSBFN-QFBILLFUSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000125753325 823704450 /nfs/dbraw/zinc/70/44/50/823704450.db2.gz WPABZLXQBQIETO-KRWDZBQOSA-N 0 0 392.459 4.126 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccn(C)c21 ZINC000191585033 823704673 /nfs/dbraw/zinc/70/46/73/823704673.db2.gz VPDYTLMQPUIPRC-UHFFFAOYSA-N 0 0 385.445 4.077 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)n1 ZINC000191591487 823705818 /nfs/dbraw/zinc/70/58/18/823705818.db2.gz HRSQXEHVEYLHEJ-AWEZNQCLSA-N 0 0 398.385 4.347 20 5 GIBDRN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000163386685 823705886 /nfs/dbraw/zinc/70/58/86/823705886.db2.gz LQRDORZALBXEBM-SFHVURJKSA-N 0 0 384.823 4.239 20 5 GIBDRN O=C(CNc1ccc2nc(C3CC3)sc2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063890236 823706021 /nfs/dbraw/zinc/70/60/21/823706021.db2.gz SNIRFPXPZIRAPQ-UHFFFAOYSA-N 0 0 394.456 4.083 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000574350031 823706460 /nfs/dbraw/zinc/70/64/60/823706460.db2.gz LEGGHZORIRMCPZ-CQSZACIVSA-N 0 0 383.448 4.017 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000574351444 823706907 /nfs/dbraw/zinc/70/69/07/823706907.db2.gz BIKZVLYIZUMMAQ-IBGZPJMESA-N 0 0 391.431 4.429 20 5 GIBDRN C[C@@H](O)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000125789134 823711134 /nfs/dbraw/zinc/71/11/34/823711134.db2.gz UWRWDIRNMHRCJP-GFCCVEGCSA-N 0 0 394.880 4.242 20 5 GIBDRN O=C(Nc1cnc(-c2ccccc2)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163477442 823713738 /nfs/dbraw/zinc/71/37/38/823713738.db2.gz XOKASQFUZMROPF-UHFFFAOYSA-N 0 0 389.415 4.248 20 5 GIBDRN O=C(N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000163494567 823715525 /nfs/dbraw/zinc/71/55/25/823715525.db2.gz VLNGTXASZNJXNA-OAHLLOKOSA-N 0 0 391.214 4.144 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)n1 ZINC000191624076 823717018 /nfs/dbraw/zinc/71/70/18/823717018.db2.gz WAJNLEIMOSTLJA-UHFFFAOYSA-N 0 0 388.371 4.026 20 5 GIBDRN O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000063951310 823719249 /nfs/dbraw/zinc/71/92/49/823719249.db2.gz MDPCATGCRCBLHS-UHFFFAOYSA-N 0 0 379.347 4.239 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063951463 823719965 /nfs/dbraw/zinc/71/99/65/823719965.db2.gz JMWYYWLAGXAGLA-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN C[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)C1 ZINC000461858508 823723227 /nfs/dbraw/zinc/72/32/27/823723227.db2.gz RNJXSQLUAUAPKG-MNEFBYGVSA-N 0 0 399.495 4.047 20 5 GIBDRN CSCCCCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000125835459 823723820 /nfs/dbraw/zinc/72/38/20/823723820.db2.gz HPWNRLQUNYZXBW-CQSZACIVSA-N 0 0 388.493 4.036 20 5 GIBDRN Cc1ccc(CNc2nccc3ccc([N+](=O)[O-])cc32)c(O[C@@H]2CCOC2)c1 ZINC000413189466 823724094 /nfs/dbraw/zinc/72/40/94/823724094.db2.gz IQWGVHHMXWEDTA-GOSISDBHSA-N 0 0 379.416 4.231 20 5 GIBDRN CC(C)Oc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000191657726 823725279 /nfs/dbraw/zinc/72/52/79/823725279.db2.gz ULDWDHJLFYWPQH-UHFFFAOYSA-N 0 0 393.237 4.421 20 5 GIBDRN C[C@@H](C1CCC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461861767 823725464 /nfs/dbraw/zinc/72/54/64/823725464.db2.gz GSEPWSUTARFIAO-KXBFYZLASA-N 0 0 399.495 4.047 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(NCc3ccc(COC4CCOCC4)cc3)c2c1 ZINC000413196407 823725597 /nfs/dbraw/zinc/72/55/97/823725597.db2.gz DTSQUUMMSYZLTH-UHFFFAOYSA-N 0 0 393.443 4.451 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)[C@H]1C ZINC000461864042 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CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2NCc2ccccc2)n1 ZINC000191842572 823793807 /nfs/dbraw/zinc/79/38/07/823793807.db2.gz CIXFVVVNQXAQOO-UHFFFAOYSA-N 0 0 399.838 4.329 20 5 GIBDRN Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c2cccc([N+](=O)[O-])c2n1 ZINC000413541709 823794746 /nfs/dbraw/zinc/79/47/46/823794746.db2.gz XBWMQZPSTSNVBR-QFIPXVFZSA-N 0 0 389.411 4.066 20 5 GIBDRN Cc1[nH]nc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1[N+](=O)[O-] ZINC000064354431 823799727 /nfs/dbraw/zinc/79/97/27/823799727.db2.gz YCLGWQNEPQZCKO-UHFFFAOYSA-N 0 0 395.400 4.281 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000574681812 823799939 /nfs/dbraw/zinc/79/99/39/823799939.db2.gz ZXTOZUMWDCLYGC-FXAWDEMLSA-N 0 0 383.448 4.447 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)COC4)n2)cc1[N+](=O)[O-] ZINC000064386289 823807176 /nfs/dbraw/zinc/80/71/76/823807176.db2.gz ULHHCLAPVBGMDY-UHFFFAOYSA-N 0 0 381.413 4.309 20 5 GIBDRN COc1cc(CNCc2ncccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000126186353 823807616 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LYIXUXWIJDACNL-UHFFFAOYSA-N 0 0 383.326 4.334 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(c1ccccc1)[C@@H]1CCOC1 ZINC000192062298 823848050 /nfs/dbraw/zinc/84/80/50/823848050.db2.gz BXGOFGGUMNHWDW-CQSZACIVSA-N 0 0 380.322 4.049 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)[C@H](C)C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000165411078 823848456 /nfs/dbraw/zinc/84/84/56/823848456.db2.gz MXOAXBVAYFJMEC-GFCCVEGCSA-N 0 0 375.450 4.028 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cnn(-c2ccccc2)c1C(C)C ZINC000574873894 823848924 /nfs/dbraw/zinc/84/89/24/823848924.db2.gz LHJMDSAWIFEAPR-UHFFFAOYSA-N 0 0 393.447 4.263 20 5 GIBDRN CC(C)(C)Oc1cc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000574887332 823852058 /nfs/dbraw/zinc/85/20/58/823852058.db2.gz GHFHQVLMHRBNGQ-CQSZACIVSA-N 0 0 386.452 4.417 20 5 GIBDRN Cc1ccnc([C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000574889918 823852670 /nfs/dbraw/zinc/85/26/70/823852670.db2.gz JDPCMXVVXQOWHC-CYBMUJFWSA-N 0 0 391.880 4.060 20 5 GIBDRN O=C(Nc1ccccc1O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000126382144 823853108 /nfs/dbraw/zinc/85/31/08/823853108.db2.gz VEFKFMDRGIWHIL-UHFFFAOYSA-N 0 0 393.186 4.045 20 5 GIBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)sc1C(F)(F)F ZINC000574895991 823855027 /nfs/dbraw/zinc/85/50/27/823855027.db2.gz INCXTKQPLKMNKZ-UHFFFAOYSA-N 0 0 397.281 4.232 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000462176713 823855385 /nfs/dbraw/zinc/85/53/85/823855385.db2.gz PQOHGVGBQSBLKL-YOEHRIQHSA-N 0 0 378.494 4.174 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000064722763 823871656 /nfs/dbraw/zinc/87/16/56/823871656.db2.gz KTYXOBOAHWZAQW-YOEHRIQHSA-N 0 0 388.851 4.249 20 5 GIBDRN CCc1c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000192134703 823873399 /nfs/dbraw/zinc/87/33/99/823873399.db2.gz KPMZBXIAYLZKDZ-UHFFFAOYSA-N 0 0 388.786 4.388 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)(F)c1ccccc1 ZINC000462227080 823882389 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823110799 /nfs/dbraw/zinc/11/07/99/823110799.db2.gz RYPKSDUTRXOUSM-OAHLLOKOSA-N 0 0 379.416 4.041 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000056288332 823121852 /nfs/dbraw/zinc/12/18/52/823121852.db2.gz KPRMRVAZJCQHCS-UHFFFAOYSA-N 0 0 394.431 4.015 20 5 GIBDRN CCC(=O)c1ccc(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000056288333 823121855 /nfs/dbraw/zinc/12/18/55/823121855.db2.gz RGHIFMOCKOEJAY-UHFFFAOYSA-N 0 0 384.432 4.004 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1-c1ccccc1F ZINC000056288589 823122057 /nfs/dbraw/zinc/12/20/57/823122057.db2.gz SKMXHOGZVRHPNA-UHFFFAOYSA-N 0 0 396.422 4.279 20 5 GIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000459067778 823123342 /nfs/dbraw/zinc/12/33/42/823123342.db2.gz KXXLYRNHPGYKID-BBRMVZONSA-N 0 0 389.477 4.111 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cnn(CC(C)C)c2C(F)F)cc1[N+](=O)[O-] ZINC000121165145 823130792 /nfs/dbraw/zinc/13/07/92/823130792.db2.gz POJYUCYATOKFTP-GFCCVEGCSA-N 0 0 380.395 4.184 20 5 GIBDRN CC(C)(NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1[N+](=O)[O-] ZINC000459122955 823130870 /nfs/dbraw/zinc/13/08/70/823130870.db2.gz SZZGDCZIPCDEQX-ZDUSSCGKSA-N 0 0 393.365 4.234 20 5 GIBDRN COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1OCc1ccccc1 ZINC000056341579 823131553 /nfs/dbraw/zinc/13/15/53/823131553.db2.gz AFBRGMQCWYOAIL-AWEZNQCLSA-N 0 0 395.415 4.002 20 5 GIBDRN CCCOc1ccccc1[C@@H](CC(C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000571100626 823132394 /nfs/dbraw/zinc/13/23/94/823132394.db2.gz GFDFLCNDMALMPQ-MRXNPFEDSA-N 0 0 386.452 4.077 20 5 GIBDRN CCOc1ccc(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1CO ZINC000121183453 823134056 /nfs/dbraw/zinc/13/40/56/823134056.db2.gz OKSITQYWZRKHCD-UHFFFAOYSA-N 0 0 398.415 4.367 20 5 GIBDRN CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000571124470 823136490 /nfs/dbraw/zinc/13/64/90/823136490.db2.gz GOSDCJBKDVYHQE-QGZVFWFLSA-N 0 0 379.416 4.375 20 5 GIBDRN Cc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000056365982 823137796 /nfs/dbraw/zinc/13/77/96/823137796.db2.gz VKMSPUHEWMOZQC-UHFFFAOYSA-N 0 0 388.851 4.035 20 5 GIBDRN C[C@H](NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056380185 823140273 /nfs/dbraw/zinc/14/02/73/823140273.db2.gz PKEAHWYQTPKHOO-LBPRGKRZSA-N 0 0 397.353 4.096 20 5 GIBDRN CC1CC[NH+]([C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000571169520 823143489 /nfs/dbraw/zinc/14/34/89/823143489.db2.gz SUVCKDNSFRWQSB-NRFANRHFSA-N 0 0 397.475 4.107 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459210932 823144910 /nfs/dbraw/zinc/14/49/10/823144910.db2.gz LZFNTIWIFJDOQU-MRXNPFEDSA-N 0 0 382.464 4.075 20 5 GIBDRN CCc1nn(C)c(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000571195613 823146663 /nfs/dbraw/zinc/14/66/63/823146663.db2.gz BRNLDXLPSDXVPC-HHHXNRCGSA-N 0 0 390.509 4.216 20 5 GIBDRN O=C(NCc1ccc(Cl)cc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187863453 823148695 /nfs/dbraw/zinc/14/86/95/823148695.db2.gz IADSHHJPJULDDT-UHFFFAOYSA-N 0 0 377.803 4.262 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2ccccc2)on1 ZINC000121286530 823155440 /nfs/dbraw/zinc/15/54/40/823155440.db2.gz DILCFESNQQLAHE-UHFFFAOYSA-N 0 0 375.287 4.104 20 5 GIBDRN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000056517996 823160699 /nfs/dbraw/zinc/16/06/99/823160699.db2.gz ODWRTTRHZWZVNS-UHFFFAOYSA-N 0 0 389.839 4.118 20 5 GIBDRN Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000056530429 823163167 /nfs/dbraw/zinc/16/31/67/823163167.db2.gz KWDFNCWSAVLGHK-QGZVFWFLSA-N 0 0 375.812 4.162 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000056545921 823166239 /nfs/dbraw/zinc/16/62/39/823166239.db2.gz FSZHYBDSMXNEJQ-SJORKVTESA-N 0 0 393.802 4.429 20 5 GIBDRN CC(=O)c1ccc(OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000121329288 823164432 /nfs/dbraw/zinc/16/44/32/823164432.db2.gz DXAPZLIUWJNDOQ-ZDUSSCGKSA-N 0 0 396.399 4.142 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121345694 823167013 /nfs/dbraw/zinc/16/70/13/823167013.db2.gz CCWQEULMXXSJPJ-HXUWFJFHSA-N 0 0 397.431 4.127 20 5 GIBDRN O=C(Nc1ccc(CNc2ccccc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176283328 823171796 /nfs/dbraw/zinc/17/17/96/823171796.db2.gz NWAHHSWPZHTXLR-UHFFFAOYSA-N 0 0 387.399 4.336 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000188030153 823174353 /nfs/dbraw/zinc/17/43/53/823174353.db2.gz JPDBSRWMBIKENJ-UHFFFAOYSA-N 0 0 392.506 4.011 20 5 GIBDRN O=C(NCCOc1ccccc1C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176292927 823174347 /nfs/dbraw/zinc/17/43/47/823174347.db2.gz FCANCEIPBTXNMU-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176320538 823181252 /nfs/dbraw/zinc/18/12/52/823181252.db2.gz KVFOEBVTNLFJFW-AWEZNQCLSA-N 0 0 394.435 4.317 20 5 GIBDRN C[C@@H](C(=O)N1CCc2cc(Br)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000571477494 823188674 /nfs/dbraw/zinc/18/86/74/823188674.db2.gz DYKVKNIHJDTGPI-SNVBAGLBSA-N 0 0 393.212 4.189 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000121467158 823189766 /nfs/dbraw/zinc/18/97/66/823189766.db2.gz UGCIUCHAXFMPNM-FQEVSTJZSA-N 0 0 397.431 4.127 20 5 GIBDRN COC(=O)c1cnc(Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000571487266 823190536 /nfs/dbraw/zinc/19/05/36/823190536.db2.gz WRQWJBAERIQZHD-UHFFFAOYSA-N 0 0 380.356 4.148 20 5 GIBDRN C[S@](=O)Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1Cl ZINC000121471963 823190919 /nfs/dbraw/zinc/19/09/19/823190919.db2.gz LCCIAYRWFYPGNQ-XMMPIXPASA-N 0 0 387.244 4.032 20 5 GIBDRN CC(C)c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000176369046 823192608 /nfs/dbraw/zinc/19/26/08/823192608.db2.gz KFAFGOKGGLQCOO-UHFFFAOYSA-N 0 0 384.255 4.118 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056691944 823194127 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4.472 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000188244601 823208609 /nfs/dbraw/zinc/20/86/09/823208609.db2.gz UDGXTLFEKHBMQT-HXUWFJFHSA-N 0 0 396.422 4.110 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000121583257 823210813 /nfs/dbraw/zinc/21/08/13/823210813.db2.gz BKRLVNVAMTUPDH-CQSZACIVSA-N 0 0 396.827 4.119 20 5 GIBDRN O=C(Nc1cccnc1-c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121618453 823217194 /nfs/dbraw/zinc/21/71/94/823217194.db2.gz WWLGWMYCJLRSNP-UHFFFAOYSA-N 0 0 385.383 4.095 20 5 GIBDRN CC(C)(NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000176498138 823221770 /nfs/dbraw/zinc/22/17/70/823221770.db2.gz UCPFJHAGPIUDAA-UHFFFAOYSA-N 0 0 379.416 4.234 20 5 GIBDRN CC(C)(NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000176501440 823222543 /nfs/dbraw/zinc/22/25/43/823222543.db2.gz TVEDRIZPEYTQEV-UHFFFAOYSA-N 0 0 399.394 4.152 20 5 GIBDRN Cc1ccc(-c2nc(CC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cs2)o1 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COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000015313534 818312310 /nfs/dbraw/zinc/31/23/10/818312310.db2.gz ZQHGRGHPJHMMNI-UHFFFAOYSA-N 0 0 391.383 4.108 20 5 GIBDRN Cc1ccccc1-c1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1C ZINC000176933656 823328171 /nfs/dbraw/zinc/32/81/71/823328171.db2.gz FUTBIAXAPCRLQG-UHFFFAOYSA-N 0 0 381.417 4.132 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(Cl)nc1Cl ZINC000057782076 823332010 /nfs/dbraw/zinc/33/20/10/823332010.db2.gz FNTCBNRNTVCBFD-UHFFFAOYSA-N 0 0 396.108 4.289 20 5 GIBDRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015539002 818334979 /nfs/dbraw/zinc/33/49/79/818334979.db2.gz IXVFOEMHQNACMK-UHFFFAOYSA-N 0 0 379.338 4.466 20 5 GIBDRN O=C(CCSCCOc1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000409862923 823329373 /nfs/dbraw/zinc/32/93/73/823329373.db2.gz VFKQHTDDNHWYIZ-UHFFFAOYSA-N 0 0 380.853 4.389 20 5 GIBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000015616108 818348445 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ZINC000026118936 820060974 /nfs/dbraw/zinc/06/09/74/820060974.db2.gz MPTFXYWSTABQBE-HNNXBMFYSA-N 0 0 392.411 4.091 20 5 GIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000123022353 823449578 /nfs/dbraw/zinc/44/95/78/823449578.db2.gz NSHFZRGDRKKMNV-AWEZNQCLSA-N 0 0 388.489 4.276 20 5 GIBDRN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346864 820086796 /nfs/dbraw/zinc/08/67/96/820086796.db2.gz WOGSSQFZIHDPHM-NSHDSACASA-N 0 0 382.247 4.361 20 5 GIBDRN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026348662 820087246 /nfs/dbraw/zinc/08/72/46/820087246.db2.gz GLEWYWXSRIBTMI-GFCCVEGCSA-N 0 0 381.354 4.073 20 5 GIBDRN CCNc1ccc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000460602435 823451671 /nfs/dbraw/zinc/45/16/71/823451671.db2.gz CRCPMQQMUJWQTL-IIBYNOLFSA-N 0 0 397.475 4.246 20 5 GIBDRN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000026401361 820094053 /nfs/dbraw/zinc/09/40/53/820094053.db2.gz LLSMHZMVVUNPHK-UHFFFAOYSA-N 0 0 376.727 4.399 20 5 GIBDRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000410292782 823452514 /nfs/dbraw/zinc/45/25/14/823452514.db2.gz UGPYSBBBKVCAQF-UHFFFAOYSA-N 0 0 390.399 4.169 20 5 GIBDRN COc1ccc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000026556391 820113372 /nfs/dbraw/zinc/11/33/72/820113372.db2.gz XRGALAFRVHKWHC-LJQANCHMSA-N 0 0 399.403 4.269 20 5 GIBDRN COc1ccc(Cl)cc1COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000026593112 820119191 /nfs/dbraw/zinc/11/91/91/820119191.db2.gz NXZZDBTXQIWAOV-LLVKDONJSA-N 0 0 381.837 4.481 20 5 GIBDRN COCc1c(C(=O)OCc2cccc([N+](=O)[O-])c2)sc2cccc(F)c21 ZINC000026667028 820129527 /nfs/dbraw/zinc/12/95/27/820129527.db2.gz GJILLMIVMRSDKK-UHFFFAOYSA-N 0 0 375.377 4.452 20 5 GIBDRN CCOc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000026767373 820141703 /nfs/dbraw/zinc/14/17/03/820141703.db2.gz HHWMZIUAKZAPMW-QGZVFWFLSA-N 0 0 384.432 4.152 20 5 GIBDRN CCOc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])cc1OC ZINC000026769485 820142350 /nfs/dbraw/zinc/14/23/50/820142350.db2.gz LATOXTHPPZTQQK-UHFFFAOYSA-N 0 0 379.438 4.008 20 5 GIBDRN CCOc1cc(C(=O)N2CCCSc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000026782859 820143615 /nfs/dbraw/zinc/14/36/15/820143615.db2.gz HBOFZRGQKNOWBR-UHFFFAOYSA-N 0 0 388.445 4.145 20 5 GIBDRN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000177423967 823459155 /nfs/dbraw/zinc/45/91/55/823459155.db2.gz DDEJTBCHFMSZRK-INIZCTEOSA-N 0 0 390.443 4.260 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000189619046 823460102 /nfs/dbraw/zinc/46/01/02/823460102.db2.gz USTKJDZKOPEIRQ-UHFFFAOYSA-N 0 0 378.350 4.004 20 5 GIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000460627790 823460322 /nfs/dbraw/zinc/46/03/22/823460322.db2.gz IGNFDMKKSBYCHG-DOMZBBRYSA-N 0 0 397.401 4.286 20 5 GIBDRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000410315241 823460825 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0 0 395.459 4.081 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[C@@H](F)C3)cc2[N+](=O)[O-])n1 ZINC000573194367 823463922 /nfs/dbraw/zinc/46/39/22/823463922.db2.gz PGODLNQTYRNMMW-NEPJUHHUSA-N 0 0 381.454 4.131 20 5 GIBDRN CSc1ccc(C(=O)OCCCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000027491613 820253088 /nfs/dbraw/zinc/25/30/88/820253088.db2.gz HRUIAPPVFGUMNM-UHFFFAOYSA-N 0 0 399.428 4.156 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc3ccccc3c2)cc1OC ZINC000027648562 820270896 /nfs/dbraw/zinc/27/08/96/820270896.db2.gz FRCCUSAWJAMIBM-UHFFFAOYSA-N 0 0 394.427 4.128 20 5 GIBDRN O=[N+]([O-])c1cc(Br)ccc1SCc1nc(-c2ccco2)no1 ZINC000177453018 823466259 /nfs/dbraw/zinc/46/62/59/823466259.db2.gz KGJQIYKOKOAHCY-UHFFFAOYSA-N 0 0 382.195 4.293 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2)cs1 ZINC000027805279 820287215 /nfs/dbraw/zinc/28/72/15/820287215.db2.gz FMKPCXOQGKKRDI-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000027965147 820301050 /nfs/dbraw/zinc/30/10/50/820301050.db2.gz RNRMNWPEKGREDK-ZDUSSCGKSA-N 0 0 398.893 4.072 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000123139155 823468580 /nfs/dbraw/zinc/46/85/80/823468580.db2.gz YJRMZEKWEISKEZ-SNVBAGLBSA-N 0 0 378.454 4.240 20 5 GIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000028063441 820308693 /nfs/dbraw/zinc/30/86/93/820308693.db2.gz QSLRZYLQURWUKE-UHFFFAOYSA-N 0 0 379.203 4.050 20 5 GIBDRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000177468134 823469346 /nfs/dbraw/zinc/46/93/46/823469346.db2.gz CPIHJMNBGDSFJC-UHFFFAOYSA-N 0 0 390.783 4.342 20 5 GIBDRN Cc1nc2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000028191095 820317143 /nfs/dbraw/zinc/31/71/43/820317143.db2.gz IEFLXJBSLBUADF-LLVKDONJSA-N 0 0 386.408 4.105 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000028239878 820319934 /nfs/dbraw/zinc/31/99/34/820319934.db2.gz YGCRWBHEBGGPRW-UHFFFAOYSA-N 0 0 399.428 4.378 20 5 GIBDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000028424043 820335319 /nfs/dbraw/zinc/33/53/19/820335319.db2.gz DUNUNLFRWVEQJM-CQSZACIVSA-N 0 0 384.432 4.212 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000028424788 820335340 /nfs/dbraw/zinc/33/53/40/820335340.db2.gz IGMWLFDLHDEDOI-KGLIPLIRSA-N 0 0 396.399 4.072 20 5 GIBDRN Cc1noc(C)c1COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000028442579 820337348 /nfs/dbraw/zinc/33/73/48/820337348.db2.gz WADZSYGTVOAHRY-STQMWFEESA-N 0 0 387.436 4.039 20 5 GIBDRN CC[C@@H](C)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000028491725 820339936 /nfs/dbraw/zinc/33/99/36/820339936.db2.gz RTLOWEQSWTXJHM-LLVKDONJSA-N 0 0 376.796 4.452 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000028495775 820340603 /nfs/dbraw/zinc/34/06/03/820340603.db2.gz BSCXPNNKUQOUNK-ZDUSSCGKSA-N 0 0 390.823 4.060 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000028818958 820360565 /nfs/dbraw/zinc/36/05/65/820360565.db2.gz HAIHHVYISBDEAQ-UHFFFAOYSA-N 0 0 384.461 4.467 20 5 GIBDRN O=C(Nc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000573271051 823473684 /nfs/dbraw/zinc/47/36/84/823473684.db2.gz UIQYVPYOAZVWIX-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000028873092 820365845 /nfs/dbraw/zinc/36/58/45/820365845.db2.gz UQDGQZWWDOVPMK-JTQLQIEISA-N 0 0 383.326 4.061 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029115355 820395127 /nfs/dbraw/zinc/39/51/27/820395127.db2.gz ZIYWBRNBXVYYTM-MRXNPFEDSA-N 0 0 386.404 4.162 20 5 GIBDRN Nc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000029223842 820414108 /nfs/dbraw/zinc/41/41/08/820414108.db2.gz UAUOTMGHPRNQLO-UHFFFAOYSA-N 0 0 391.387 4.073 20 5 GIBDRN O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029287766 820428918 /nfs/dbraw/zinc/42/89/18/820428918.db2.gz KKBHHHHCFRXYAP-UHFFFAOYSA-N 0 0 395.440 4.184 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000058989469 823479871 /nfs/dbraw/zinc/47/98/71/823479871.db2.gz TWIJQZAPHDDYEA-UHFFFAOYSA-N 0 0 390.374 4.458 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1N1CCCCCC1 ZINC000029400115 820450528 /nfs/dbraw/zinc/45/05/28/820450528.db2.gz CZVNBFLWVTWSLY-UHFFFAOYSA-N 0 0 382.464 4.334 20 5 GIBDRN Cc1c(OCc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000059012548 823483338 /nfs/dbraw/zinc/48/33/38/823483338.db2.gz UZVVYSSIPWOXHP-UHFFFAOYSA-N 0 0 390.193 4.295 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3C)c2)cs1 ZINC000059012679 823483350 /nfs/dbraw/zinc/48/33/50/823483350.db2.gz VQSVMUCOTPPBLR-UHFFFAOYSA-N 0 0 383.429 4.353 20 5 GIBDRN CC(C)(C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000573344854 823482191 /nfs/dbraw/zinc/48/21/91/823482191.db2.gz HQBNGUJFUMHOAF-MRXNPFEDSA-N 0 0 398.434 4.133 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000123252184 823485205 /nfs/dbraw/zinc/48/52/05/823485205.db2.gz IUWPKFHJMCUFRN-APWZRJJASA-N 0 0 399.491 4.066 20 5 GIBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2ccc(Cl)cc2)no1 ZINC000573369081 823485462 /nfs/dbraw/zinc/48/54/62/823485462.db2.gz SNHOUYSOQOGPLR-ZRDIBKRKSA-N 0 0 398.806 4.373 20 5 GIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000059132308 823486406 /nfs/dbraw/zinc/48/64/06/823486406.db2.gz AZWXTMQHAQGWKG-UHFFFAOYSA-N 0 0 381.624 4.356 20 5 GIBDRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888964 820539977 /nfs/dbraw/zinc/53/99/77/820539977.db2.gz LKBHDXSZHDECCQ-UHFFFAOYSA-N 0 0 397.818 4.425 20 5 GIBDRN O=C(c1ccc2ccccc2n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000059253402 823487440 /nfs/dbraw/zinc/48/74/40/823487440.db2.gz UFUKWXIVLFKRLG-UHFFFAOYSA-N 0 0 389.333 4.348 20 5 GIBDRN COc1ccc([C@H](C)N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000030002564 820566062 /nfs/dbraw/zinc/56/60/62/820566062.db2.gz GGDJUOLWOARADB-LBPRGKRZSA-N 0 0 396.390 4.406 20 5 GIBDRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000059373526 823494451 /nfs/dbraw/zinc/49/44/51/823494451.db2.gz ZGGKWRKQUIVANQ-OAHLLOKOSA-N 0 0 391.493 4.107 20 5 GIBDRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000189788511 823494733 /nfs/dbraw/zinc/49/47/33/823494733.db2.gz CEUVLASLYVFLEF-UHFFFAOYSA-N 0 0 392.799 4.082 20 5 GIBDRN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000410415180 823490587 /nfs/dbraw/zinc/49/05/87/823490587.db2.gz CUBJJHYJBOKXHV-UHFFFAOYSA-N 0 0 379.196 4.150 20 5 GIBDRN COc1ccccc1[C@@H](CC(C)C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177561886 823491444 /nfs/dbraw/zinc/49/14/44/823491444.db2.gz AJXWXSHFXPPSRM-LJQANCHMSA-N 0 0 386.448 4.347 20 5 GIBDRN COc1ccccc1[C@H](CC(C)C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177561871 823491573 /nfs/dbraw/zinc/49/15/73/823491573.db2.gz 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ZDPQBEAANYLHJV-CQSZACIVSA-N 0 0 383.448 4.017 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)c(F)cc1F ZINC000182614935 822323685 /nfs/dbraw/zinc/32/36/85/822323685.db2.gz PGOINYTUJMBYRN-UHFFFAOYSA-N 0 0 376.743 4.396 20 5 GIBDRN C[C@@H](C(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182650696 822339061 /nfs/dbraw/zinc/33/90/61/822339061.db2.gz RLPKSBYFHXTOAB-SNVBAGLBSA-N 0 0 386.301 4.417 20 5 GIBDRN COCc1ccsc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182664863 822344074 /nfs/dbraw/zinc/34/40/74/822344074.db2.gz UVZAKUUARBJGJY-UHFFFAOYSA-N 0 0 389.458 4.487 20 5 GIBDRN C[C@H](C(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000182743924 822361128 /nfs/dbraw/zinc/36/11/28/822361128.db2.gz WICJCSMTPGKOJI-VIFPVBQESA-N 0 0 388.292 4.312 20 5 GIBDRN CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000178294713 822364293 /nfs/dbraw/zinc/36/42/93/822364293.db2.gz SVYRTYGXPZGITK-CYBMUJFWSA-N 0 0 382.445 4.237 20 5 GIBDRN Cc1sc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000045141739 822365336 /nfs/dbraw/zinc/36/53/36/822365336.db2.gz JDCCZWTUDMRCQP-UHFFFAOYSA-N 0 0 377.422 4.403 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000045142101 822365348 /nfs/dbraw/zinc/36/53/48/822365348.db2.gz VDCUKTZXBFWWOH-UHFFFAOYSA-N 0 0 397.460 4.202 20 5 GIBDRN COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000178315519 822366511 /nfs/dbraw/zinc/36/65/11/822366511.db2.gz PUNVCQSXHAFXPX-XOBRGWDASA-N 0 0 395.415 4.346 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1F ZINC000182811743 822371633 /nfs/dbraw/zinc/37/16/33/822371633.db2.gz CMYZKZKBHINQCA-OLZOCXBDSA-N 0 0 383.379 4.370 20 5 GIBDRN Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000178375993 822372773 /nfs/dbraw/zinc/37/27/73/822372773.db2.gz JREDCIKEULDZFC-UHFFFAOYSA-N 0 0 398.466 4.180 20 5 GIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000045328963 822379102 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ZINC000178683718 822402697 /nfs/dbraw/zinc/40/26/97/822402697.db2.gz VWTOEUMOKZTBSL-UWJYYQICSA-N 0 0 381.476 4.308 20 5 GIBDRN Cc1sc(NC(=O)c2cncc(OC(C)C)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000178706271 822404494 /nfs/dbraw/zinc/40/44/94/822404494.db2.gz WASIEUDICSDYMI-UHFFFAOYSA-N 0 0 398.444 4.461 20 5 GIBDRN Cc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178715749 822405140 /nfs/dbraw/zinc/40/51/40/822405140.db2.gz MRDMCYRJFBILJE-UHFFFAOYSA-N 0 0 379.338 4.122 20 5 GIBDRN CC[C@@H](Nc1cc(C(=O)N2CCCC2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000182985632 822405310 /nfs/dbraw/zinc/40/53/10/822405310.db2.gz NNTVYFBZUVGXIT-GOSISDBHSA-N 0 0 383.448 4.403 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000178728395 822405957 /nfs/dbraw/zinc/40/59/57/822405957.db2.gz CNOBICSQEGXQMS-JTQLQIEISA-N 0 0 383.217 4.356 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182999982 822408776 /nfs/dbraw/zinc/40/87/76/822408776.db2.gz 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Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000179158468 822445437 /nfs/dbraw/zinc/44/54/37/822445437.db2.gz HAJFHDPHFMSRCG-UHFFFAOYSA-N 0 0 377.238 4.331 20 5 GIBDRN COc1ccc(CSCC(=O)N(C)[C@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000046209553 822450213 /nfs/dbraw/zinc/45/02/13/822450213.db2.gz CFPIGSANKFYJJG-CYBMUJFWSA-N 0 0 392.452 4.195 20 5 GIBDRN COc1cccnc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000179212018 822451827 /nfs/dbraw/zinc/45/18/27/822451827.db2.gz QHAWNMOETIZBQT-UHFFFAOYSA-N 0 0 395.440 4.426 20 5 GIBDRN COCc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])sc2cccc(F)c21 ZINC000046223395 822451872 /nfs/dbraw/zinc/45/18/72/822451872.db2.gz RCNVRILAGGWTNN-UHFFFAOYSA-N 0 0 388.420 4.367 20 5 GIBDRN O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183293156 822454184 /nfs/dbraw/zinc/45/41/84/822454184.db2.gz HDGMSPVIEPYWJP-KOMQPUFPSA-N 0 0 392.521 4.158 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(F)ccc2C1 ZINC000183298295 822455168 /nfs/dbraw/zinc/45/51/68/822455168.db2.gz DUFRNLQAHBATJS-UHFFFAOYSA-N 0 0 380.828 4.064 20 5 GIBDRN O=C(Nc1cccnc1N1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454311240 822456241 /nfs/dbraw/zinc/45/62/41/822456241.db2.gz KWVPMKQBCZIPAR-QGZVFWFLSA-N 0 0 395.463 4.002 20 5 GIBDRN CCOc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC(F)F ZINC000046268202 822457299 /nfs/dbraw/zinc/45/72/99/822457299.db2.gz XOYHZVARIZQJNF-UHFFFAOYSA-N 0 0 394.374 4.176 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000179250192 822457332 /nfs/dbraw/zinc/45/73/32/822457332.db2.gz SFLBQPPJYPKERV-CQSZACIVSA-N 0 0 386.473 4.487 20 5 GIBDRN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC)c1ccccc1 ZINC000179256680 822458075 /nfs/dbraw/zinc/45/80/75/822458075.db2.gz QXGUUOGYVTXJHD-HNNXBMFYSA-N 0 0 388.489 4.257 20 5 GIBDRN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Br)cc1F ZINC000179263635 822458685 /nfs/dbraw/zinc/45/86/85/822458685.db2.gz YXXGTCLFTSCBTL-UHFFFAOYSA-N 0 0 387.592 4.426 20 5 GIBDRN C[C@@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000454361377 822461965 /nfs/dbraw/zinc/46/19/65/822461965.db2.gz MLBIPQLNACNBNE-OTYXRUKQSA-N 0 0 379.338 4.060 20 5 GIBDRN Cc1noc(-c2ccccc2)c1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000183366080 822464290 /nfs/dbraw/zinc/46/42/90/822464290.db2.gz MAAUCDXGLSSUNU-UHFFFAOYSA-N 0 0 380.404 4.389 20 5 GIBDRN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000179314901 822465042 /nfs/dbraw/zinc/46/50/42/822465042.db2.gz SVROSTKMWCMRAS-UHFFFAOYSA-N 0 0 384.417 4.259 20 5 GIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179316639 822465290 /nfs/dbraw/zinc/46/52/90/822465290.db2.gz XELCPRIUJNQOFV-UHFFFAOYSA-N 0 0 399.454 4.475 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000179327853 822466725 /nfs/dbraw/zinc/46/67/25/822466725.db2.gz QNYQRHHOOKSKEJ-UHFFFAOYSA-N 0 0 397.818 4.249 20 5 GIBDRN Cc1cccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCCC1 ZINC000454431032 822474629 /nfs/dbraw/zinc/47/46/29/822474629.db2.gz LJNMIZQORWDGAX-HNNXBMFYSA-N 0 0 396.447 4.022 20 5 GIBDRN CN(C)C(=O)COc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000046457332 822474729 /nfs/dbraw/zinc/47/47/29/822474729.db2.gz MIJRJKKJTFIEEB-UHFFFAOYSA-N 0 0 399.450 4.107 20 5 GIBDRN Cc1nn(CN(C)Cc2ccccc2[N+](=O)[O-])c(=S)n1-c1ccccc1C ZINC000046477541 822476934 /nfs/dbraw/zinc/47/69/34/822476934.db2.gz LKNOFJMLCZCRLL-UHFFFAOYSA-N 0 0 383.477 4.018 20 5 GIBDRN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000046534329 822483188 /nfs/dbraw/zinc/48/31/88/822483188.db2.gz UNNAUXCNDCCEIM-UHFFFAOYSA-N 0 0 386.301 4.264 20 5 GIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046597866 822489935 /nfs/dbraw/zinc/48/99/35/822489935.db2.gz IHTMHTMYEAKVED-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000454526346 822491615 /nfs/dbraw/zinc/49/16/15/822491615.db2.gz UHGKQBBKKIJVAV-MJXNMMHHSA-N 0 0 387.411 4.014 20 5 GIBDRN CC1(CC(F)(F)F)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000454529608 822492021 /nfs/dbraw/zinc/49/20/21/822492021.db2.gz XBBWYLGHCWMHFD-UHFFFAOYSA-N 0 0 383.273 4.002 20 5 GIBDRN COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179509541 822493473 /nfs/dbraw/zinc/49/34/73/822493473.db2.gz OFIJMEQUJHOIMU-MRXNPFEDSA-N 0 0 397.475 4.156 20 5 GIBDRN COCCOCc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000046619060 822493738 /nfs/dbraw/zinc/49/37/38/822493738.db2.gz GGCJAELFJRPUSP-UHFFFAOYSA-N 0 0 386.448 4.308 20 5 GIBDRN Cc1csc([C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000183561267 822494929 /nfs/dbraw/zinc/49/49/29/822494929.db2.gz ULKKCXJUVWHQCM-MEBBXXQBSA-N 0 0 394.884 4.081 20 5 GIBDRN COc1ccc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000046635263 822496354 /nfs/dbraw/zinc/49/63/54/822496354.db2.gz BJWGEAVIZSOHRZ-ZDUSSCGKSA-N 0 0 392.814 4.243 20 5 GIBDRN CC(C)Oc1ccc([C@@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000179530908 822497957 /nfs/dbraw/zinc/49/79/57/822497957.db2.gz BZCVJMXCAVMNCT-CQSZACIVSA-N 0 0 382.420 4.283 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179551488 822501966 /nfs/dbraw/zinc/50/19/66/822501966.db2.gz XWROERBVYHYWCE-LLVKDONJSA-N 0 0 375.406 4.106 20 5 GIBDRN COc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000046683915 822504563 /nfs/dbraw/zinc/50/45/63/822504563.db2.gz DRAAYNZDEPIXEC-UHFFFAOYSA-N 0 0 382.372 4.166 20 5 GIBDRN C[C@@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000179624928 822514981 /nfs/dbraw/zinc/51/49/81/822514981.db2.gz SFINDFJRZHZXOX-JLTOFOAXSA-N 0 0 394.406 4.279 20 5 GIBDRN COc1ccccc1COC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000179635192 822517062 /nfs/dbraw/zinc/51/70/62/822517062.db2.gz IOYISZUKIQDRAD-UHFFFAOYSA-N 0 0 393.443 4.337 20 5 GIBDRN Cn1cnc(-c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)n1 ZINC000183724567 822517114 /nfs/dbraw/zinc/51/71/14/822517114.db2.gz UTVVNDWPGYRTFB-UHFFFAOYSA-N 0 0 379.423 4.436 20 5 GIBDRN Cc1occc1C(=O)Nc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000046790301 822517608 /nfs/dbraw/zinc/51/76/08/822517608.db2.gz JFSPTBMFZGJYIL-UHFFFAOYSA-N 0 0 397.362 4.069 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(SCc2cccnc2)cc1 ZINC000046864532 822525489 /nfs/dbraw/zinc/52/54/89/822525489.db2.gz MIOMZHVZIUGCTH-UHFFFAOYSA-N 0 0 395.440 4.300 20 5 GIBDRN COc1ccc([C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000179682344 822526490 /nfs/dbraw/zinc/52/64/90/822526490.db2.gz FTGBBUAQXRNAMH-HXUWFJFHSA-N 0 0 379.416 4.499 20 5 GIBDRN COc1cccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000179693286 822528642 /nfs/dbraw/zinc/52/86/42/822528642.db2.gz GYWDIBBZMDEJRU-UHFFFAOYSA-N 0 0 391.427 4.171 20 5 GIBDRN Cc1ccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2n[nH]cc21 ZINC000454775447 822531470 /nfs/dbraw/zinc/53/14/70/822531470.db2.gz OVSNBMMRKBJFIC-OAHLLOKOSA-N 0 0 379.420 4.191 20 5 GIBDRN C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000179711480 822532850 /nfs/dbraw/zinc/53/28/50/822532850.db2.gz MROIQGGNTOBJFZ-HWPZZCPQSA-N 0 0 383.231 4.203 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)c(C)c2)cc1SC ZINC000183864370 822537710 /nfs/dbraw/zinc/53/77/10/822537710.db2.gz RIBKJAUAJVIMRU-UHFFFAOYSA-N 0 0 380.853 4.217 20 5 GIBDRN CCOc1ccccc1[C@@H](CC)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179734752 822538208 /nfs/dbraw/zinc/53/82/08/822538208.db2.gz BKJMWZWIUHVHKJ-QGZVFWFLSA-N 0 0 382.420 4.284 20 5 GIBDRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000047109777 822545047 /nfs/dbraw/zinc/54/50/47/822545047.db2.gz MWYOQQVFBQRKAZ-NSHDSACASA-N 0 0 378.812 4.065 20 5 GIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000047169774 822550086 /nfs/dbraw/zinc/55/00/86/822550086.db2.gz ZHNYNJZMCCKLGK-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN O=c1c2ccccc2nc(SCc2csc([N+](=O)[O-])c2)n1Cc1ccco1 ZINC000047171588 822550513 /nfs/dbraw/zinc/55/05/13/822550513.db2.gz AQVYCZCLLXEKSH-UHFFFAOYSA-N 0 0 399.453 4.300 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000047181985 822551828 /nfs/dbraw/zinc/55/18/28/822551828.db2.gz NROSDXSEKUINKX-UHFFFAOYSA-N 0 0 385.401 4.298 20 5 GIBDRN C[C@H](NCc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccc([N+](=O)[O-])c1 ZINC000183988267 822558685 /nfs/dbraw/zinc/55/86/85/822558685.db2.gz CLNVPLIMLWRABN-LBPRGKRZSA-N 0 0 384.461 4.436 20 5 GIBDRN COc1cc(F)cc(C[C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000454943507 822561047 /nfs/dbraw/zinc/56/10/47/822561047.db2.gz OODQCRBUPLYQSM-LBPRGKRZSA-N 0 0 375.400 4.112 20 5 GIBDRN O=C(Nc1cccc2c1OCCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454953208 822562570 /nfs/dbraw/zinc/56/25/70/822562570.db2.gz ICMVYCTWTYZLCZ-KRWDZBQOSA-N 0 0 381.432 4.331 20 5 GIBDRN COc1cc(CNc2cc(F)ccc2OC[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000184011828 822563550 /nfs/dbraw/zinc/56/35/50/822563550.db2.gz KBSIRPIMMVLCET-CQSZACIVSA-N 0 0 394.374 4.052 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179863463 822568193 /nfs/dbraw/zinc/56/81/93/822568193.db2.gz DTQYZORHUXVJLG-UHFFFAOYSA-N 0 0 378.360 4.140 20 5 GIBDRN COc1cc(CSCc2nc(-c3ccccc3)no2)c([N+](=O)[O-])cc1F ZINC000184037510 822568636 /nfs/dbraw/zinc/56/86/36/822568636.db2.gz VZFCXCDURYPINR-UHFFFAOYSA-N 0 0 375.381 4.226 20 5 GIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184044605 822569901 /nfs/dbraw/zinc/56/99/01/822569901.db2.gz UGSSFYNEAPKBKU-FMTVUPSXSA-N 0 0 394.830 4.383 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000047371820 822571879 /nfs/dbraw/zinc/57/18/79/822571879.db2.gz TXGTVZJSTYRDRF-UHFFFAOYSA-N 0 0 399.410 4.228 20 5 GIBDRN Cc1cnc([C@H](C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000184062734 822573176 /nfs/dbraw/zinc/57/31/76/822573176.db2.gz GGVIRJSYBXSLMV-SNVBAGLBSA-N 0 0 388.474 4.017 20 5 GIBDRN Cc1c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cnn1-c1ccccc1F ZINC000179908406 822574999 /nfs/dbraw/zinc/57/49/99/822574999.db2.gz ZJRMWJKSVUZXCF-UHFFFAOYSA-N 0 0 382.395 4.406 20 5 GIBDRN COc1cccc(F)c1[C@@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179913604 822576048 /nfs/dbraw/zinc/57/60/48/822576048.db2.gz ARJGIXHWJQKEKI-VXGBXAGGSA-N 0 0 386.383 4.204 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000047419932 822577872 /nfs/dbraw/zinc/57/78/72/822577872.db2.gz VGNSJFCUMRRJML-LBPRGKRZSA-N 0 0 386.408 4.039 20 5 GIBDRN CCCN(CCc1cccs1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000184134723 822583901 /nfs/dbraw/zinc/58/39/01/822583901.db2.gz JPEKMZCLKPBVNJ-UHFFFAOYSA-N 0 0 394.518 4.482 20 5 GIBDRN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000184137016 822584353 /nfs/dbraw/zinc/58/43/53/822584353.db2.gz VRMNSSWDMHZKMH-HNAYVOBHSA-N 0 0 398.484 4.433 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000455083071 822587160 /nfs/dbraw/zinc/58/71/60/822587160.db2.gz SSSQFRASEHEMAB-AWEZNQCLSA-N 0 0 382.420 4.079 20 5 GIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455089379 822587570 /nfs/dbraw/zinc/58/75/70/822587570.db2.gz DJGUURDCNOPEFV-HNAYVOBHSA-N 0 0 383.448 4.081 20 5 GIBDRN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543927 822589048 /nfs/dbraw/zinc/58/90/48/822589048.db2.gz KDVJRKUZVHXPPR-NSHDSACASA-N 0 0 394.836 4.376 20 5 GIBDRN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455101643 822589005 /nfs/dbraw/zinc/58/90/05/822589005.db2.gz ZKICKNKFNVZVHJ-XOBRGWDASA-N 0 0 383.448 4.383 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000455135386 822594698 /nfs/dbraw/zinc/59/46/98/822594698.db2.gz GBIIMKICZKLSOW-YVEFUNNKSA-N 0 0 375.450 4.097 20 5 GIBDRN COc1cc(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184226844 822599439 /nfs/dbraw/zinc/59/94/39/822599439.db2.gz 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CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000185220227 822750697 /nfs/dbraw/zinc/75/06/97/822750697.db2.gz FZIVIICUPQGIBP-IBGZPJMESA-N 0 0 396.487 4.028 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)c1ccccn1 ZINC000185221274 822750888 /nfs/dbraw/zinc/75/08/88/822750888.db2.gz MJLQZMUEJUBZBJ-QGZVFWFLSA-N 0 0 379.416 4.385 20 5 GIBDRN C[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccc([N+](=O)[O-])cc1F ZINC000185225058 822751519 /nfs/dbraw/zinc/75/15/19/822751519.db2.gz JVPKPZNCLAQQSV-NSHDSACASA-N 0 0 382.395 4.240 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(OC)ccc1OC(F)F ZINC000185231601 822752401 /nfs/dbraw/zinc/75/24/01/822752401.db2.gz NKRRFLHAVWVIOQ-CYBMUJFWSA-N 0 0 394.374 4.412 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(COCC2CC2)c1 ZINC000185271516 822757743 /nfs/dbraw/zinc/75/77/43/822757743.db2.gz PJUVDRMHOMMGMV-UHFFFAOYSA-N 0 0 389.839 4.497 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000051484254 822761909 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CCS[C@@H]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174403400 822785384 /nfs/dbraw/zinc/78/53/84/822785384.db2.gz UGEMVBIRIDWREM-LSDHHAIUSA-N 0 0 391.518 4.465 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000456170128 822786100 /nfs/dbraw/zinc/78/61/00/822786100.db2.gz BIZOMNQHXAORFV-UHFFFAOYSA-N 0 0 376.482 4.350 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000456171957 822786129 /nfs/dbraw/zinc/78/61/29/822786129.db2.gz DGYNAIZXHWFWQW-INIZCTEOSA-N 0 0 377.491 4.446 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(Br)cc1F ZINC000185454283 822786496 /nfs/dbraw/zinc/78/64/96/822786496.db2.gz JXWKFUHDFZOTIS-UHFFFAOYSA-N 0 0 390.168 4.297 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000174415632 822787018 /nfs/dbraw/zinc/78/70/18/822787018.db2.gz MXDLTNFFRZEFDI-RYUDHWBXSA-N 0 0 376.400 4.360 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F ZINC000456192803 822787481 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392.814 4.137 20 5 GIBDRN C[C@H](C(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1F ZINC000185568515 822797362 /nfs/dbraw/zinc/79/73/62/822797362.db2.gz OWIOWPVVHJFTBS-APPDUMDISA-N 0 0 376.359 4.007 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000174549497 822803861 /nfs/dbraw/zinc/80/38/61/822803861.db2.gz UFXQKQKCQOOVFE-SNVBAGLBSA-N 0 0 383.857 4.074 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Nc3scnc3C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000456447873 822807743 /nfs/dbraw/zinc/80/77/43/822807743.db2.gz BXXVZPQQVCTRKP-UHFFFAOYSA-N 0 0 399.476 4.289 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000456498516 822810461 /nfs/dbraw/zinc/81/04/61/822810461.db2.gz FQZYXNQEIQCFDD-DGCLKSJQSA-N 0 0 378.475 4.028 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000456513283 822811804 /nfs/dbraw/zinc/81/18/04/822811804.db2.gz SGSFOVDRXMSMCV-JFIYKMOQSA-N 0 0 388.489 4.262 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000456525627 822813138 /nfs/dbraw/zinc/81/31/38/822813138.db2.gz GLTSKJQFVDUSEV-ZENOOKHLSA-N 0 0 392.502 4.173 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(Br)cn1 ZINC000052914766 822815482 /nfs/dbraw/zinc/81/54/82/822815482.db2.gz ZBIFXDNBKICPGB-UHFFFAOYSA-N 0 0 396.266 4.182 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000052938156 822816353 /nfs/dbraw/zinc/81/63/53/822816353.db2.gz XBAVWVVYCGPRFD-ZOBUZTSGSA-N 0 0 382.464 4.471 20 5 GIBDRN Cc1cnc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000052953110 822816593 /nfs/dbraw/zinc/81/65/93/822816593.db2.gz VNCDNTHCXKZHEY-LBPRGKRZSA-N 0 0 383.433 4.180 20 5 GIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000052958902 822817094 /nfs/dbraw/zinc/81/70/94/822817094.db2.gz WBIPXNUNBVOPPO-GFCCVEGCSA-N 0 0 384.823 4.140 20 5 GIBDRN Cc1ccccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052978194 822817445 /nfs/dbraw/zinc/81/74/45/822817445.db2.gz ZXSBDNMNQCAMHP-MRXNPFEDSA-N 0 0 390.443 4.401 20 5 GIBDRN CCc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC ZINC000456596347 822818793 /nfs/dbraw/zinc/81/87/93/822818793.db2.gz NQPSCCZPHBXYMB-UHFFFAOYSA-N 0 0 396.346 4.028 20 5 GIBDRN CCCCOc1cccc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c1 ZINC000053178609 822824808 /nfs/dbraw/zinc/82/48/08/822824808.db2.gz GHNLCLJTMUHNFD-UHFFFAOYSA-N 0 0 388.420 4.433 20 5 GIBDRN COc1ccc2c(c1)nc(CNCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)n2C ZINC000185843499 822826729 /nfs/dbraw/zinc/82/67/29/822826729.db2.gz ZKTQUYNKGCXGHB-UHFFFAOYSA-N 0 0 392.415 4.040 20 5 GIBDRN CC(C)c1ccc(CNc2nnc([C@@H]3COc4ccccc4O3)o2)cc1[N+](=O)[O-] ZINC000185900807 822831422 /nfs/dbraw/zinc/83/14/22/822831422.db2.gz XCIJFNNBFNQJBC-SFHVURJKSA-N 0 0 396.403 4.226 20 5 GIBDRN CC(C)OCCOC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000456820656 822834949 /nfs/dbraw/zinc/83/49/49/822834949.db2.gz OEYUHGJKNXNDIZ-UHFFFAOYSA-N 0 0 392.499 4.434 20 5 GIBDRN CCCCNC(=O)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000053480456 822837110 /nfs/dbraw/zinc/83/71/10/822837110.db2.gz ZUWLZAIVKJWKEL-UHFFFAOYSA-N 0 0 389.499 4.157 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCSc1nncn1-c1cccc(Cl)c1 ZINC000053485115 822837535 /nfs/dbraw/zinc/83/75/35/822837535.db2.gz RBCRDWLEDSGRIL-UHFFFAOYSA-N 0 0 376.825 4.000 20 5 GIBDRN O=C(NCc1ccc(Cl)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174800678 822839101 /nfs/dbraw/zinc/83/91/01/822839101.db2.gz BOJFWLSTYZLVCO-UHFFFAOYSA-N 0 0 395.868 4.063 20 5 GIBDRN CSc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000185978165 822840216 /nfs/dbraw/zinc/84/02/16/822840216.db2.gz AUSTTYARAFBSLU-UHFFFAOYSA-N 0 0 384.379 4.308 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053584392 822841658 /nfs/dbraw/zinc/84/16/58/822841658.db2.gz BROOFGUARVTCFQ-LLVKDONJSA-N 0 0 382.445 4.299 20 5 GIBDRN CSc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000186008002 822843400 /nfs/dbraw/zinc/84/34/00/822843400.db2.gz RAMJGLYEUOTQBG-CYBMUJFWSA-N 0 0 392.502 4.200 20 5 GIBDRN CSc1cccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000186007981 822843485 /nfs/dbraw/zinc/84/34/85/822843485.db2.gz RAMJGLYEUOTQBG-ZDUSSCGKSA-N 0 0 392.502 4.200 20 5 GIBDRN Cc1cccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000457023818 822846791 /nfs/dbraw/zinc/84/67/91/822846791.db2.gz FCFHFMNPFRYOED-GFCCVEGCSA-N 0 0 382.338 4.335 20 5 GIBDRN Cc1cccnc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053760667 822847333 /nfs/dbraw/zinc/84/73/33/822847333.db2.gz KHSYYLWJTSCWPI-AWEZNQCLSA-N 0 0 377.404 4.119 20 5 GIBDRN CSCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186073392 822849318 /nfs/dbraw/zinc/84/93/18/822849318.db2.gz VFQZYQHVOIMPJZ-UHFFFAOYSA-N 0 0 395.278 4.402 20 5 GIBDRN COc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000053884075 822851583 /nfs/dbraw/zinc/85/15/83/822851583.db2.gz GZKQYFPIIVEERU-SNVBAGLBSA-N 0 0 398.337 4.177 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000186147629 822855714 /nfs/dbraw/zinc/85/57/14/822855714.db2.gz HDVWYLBROUJYCC-JTQLQIEISA-N 0 0 382.388 4.409 20 5 GIBDRN CC1(CC(F)(F)F)CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457128221 822855950 /nfs/dbraw/zinc/85/59/50/822855950.db2.gz WNGATFJXUGNNCE-UHFFFAOYSA-N 0 0 392.352 4.235 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@H](CCCO)C1 ZINC000457152121 822857620 /nfs/dbraw/zinc/85/76/20/822857620.db2.gz WZMNUNWKHWWSRX-OAHLLOKOSA-N 0 0 392.521 4.112 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000174954189 822860604 /nfs/dbraw/zinc/86/06/04/822860604.db2.gz VJWVULBOSMAVSA-JTQLQIEISA-N 0 0 396.802 4.286 20 5 GIBDRN CSc1ccccc1N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000174976250 822863422 /nfs/dbraw/zinc/86/34/22/822863422.db2.gz DEJQODXPUZEZTC-UHFFFAOYSA-N 0 0 386.882 4.104 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccoc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000054140828 822863911 /nfs/dbraw/zinc/86/39/11/822863911.db2.gz HFMRJBLVMULDOX-CQSZACIVSA-N 0 0 380.404 4.028 20 5 GIBDRN CCCCOc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000054165650 822864867 /nfs/dbraw/zinc/86/48/67/822864867.db2.gz WKBYHNIAIGQPNF-UHFFFAOYSA-N 0 0 394.431 4.427 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cscn1 ZINC000054167852 822865011 /nfs/dbraw/zinc/86/50/11/822865011.db2.gz AGLADSDNQXIGRJ-UHFFFAOYSA-N 0 0 399.497 4.316 20 5 GIBDRN CCc1cccc(N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000457324792 822865895 /nfs/dbraw/zinc/86/58/95/822865895.db2.gz DZRZESZDNIRJFZ-UHFFFAOYSA-N 0 0 380.347 4.044 20 5 GIBDRN C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000186270966 822867963 /nfs/dbraw/zinc/86/79/63/822867963.db2.gz UQNVDSVHIVTRIV-JTQLQIEISA-N 0 0 399.373 4.004 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000569000447 822868773 /nfs/dbraw/zinc/86/87/73/822868773.db2.gz ISRHXNMZDLLTGS-QGZVFWFLSA-N 0 0 396.472 4.056 20 5 GIBDRN CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000569008634 822869232 /nfs/dbraw/zinc/86/92/32/822869232.db2.gz LINPUIZHHZGZRJ-UHFFFAOYSA-N 0 0 397.200 4.456 20 5 GIBDRN CCn1c2ccccc2nc1[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000569045505 822872882 /nfs/dbraw/zinc/87/28/82/822872882.db2.gz AHGHTDATQWUHSA-ZDUSSCGKSA-N 0 0 393.447 4.030 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054283749 822873065 /nfs/dbraw/zinc/87/30/65/822873065.db2.gz YYLMPLMPFFULGN-SJCJKPOMSA-N 0 0 390.436 4.245 20 5 GIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C2CCC2)n1Cc1ccccc1 ZINC000569059680 822875281 /nfs/dbraw/zinc/87/52/81/822875281.db2.gz DBSIRFFZPZJKFT-UHFFFAOYSA-N 0 0 391.475 4.181 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000054356289 822878157 /nfs/dbraw/zinc/87/81/57/822878157.db2.gz VFVVXULXCWZAHL-UHFFFAOYSA-N 0 0 385.754 4.214 20 5 GIBDRN COc1ccc(S[C@@H](C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000186340936 822878343 /nfs/dbraw/zinc/87/83/43/822878343.db2.gz XBYZPKWASGRXCD-NSHDSACASA-N 0 0 380.853 4.054 20 5 GIBDRN COc1cc(Cc2noc(CCSCc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000569153465 822884823 /nfs/dbraw/zinc/88/48/23/822884823.db2.gz AEDSJHZDRTVSJI-UHFFFAOYSA-N 0 0 385.445 4.053 20 5 GIBDRN C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1nc2ccccc2[nH]1 ZINC000457527147 822885982 /nfs/dbraw/zinc/88/59/82/822885982.db2.gz STTXWHPEULZVNF-ZBFHGGJFSA-N 0 0 393.447 4.121 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc(-c4ccccn4)s3)o2)cc1 ZINC000186424102 822892383 /nfs/dbraw/zinc/89/23/83/822892383.db2.gz BMNJTKVAVZZOBM-UHFFFAOYSA-N 0 0 379.401 4.380 20 5 GIBDRN CC(C)(NC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175150665 822892815 /nfs/dbraw/zinc/89/28/15/822892815.db2.gz KQSABCITCKBGNZ-UHFFFAOYSA-N 0 0 382.445 4.108 20 5 GIBDRN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000054590911 822897839 /nfs/dbraw/zinc/89/78/39/822897839.db2.gz KOPBMCXYYWPNOG-UHFFFAOYSA-N 0 0 387.823 4.127 20 5 GIBDRN Cc1ccc2snc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000569267532 822898408 /nfs/dbraw/zinc/89/84/08/822898408.db2.gz LEMPWMRVGUMADN-SFHVURJKSA-N 0 0 385.470 4.401 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000175180898 822898915 /nfs/dbraw/zinc/89/89/15/822898915.db2.gz YEYFOGRCUYGQAR-UHFFFAOYSA-N 0 0 383.448 4.232 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000175191546 822901284 /nfs/dbraw/zinc/90/12/84/822901284.db2.gz BLQGJXGKDPRTAO-JTQLQIEISA-N 0 0 378.772 4.348 20 5 GIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000175208452 822904684 /nfs/dbraw/zinc/90/46/84/822904684.db2.gz RYFKMSDOIXYJQG-HNNXBMFYSA-N 0 0 378.350 4.243 20 5 GIBDRN CSc1cccc(C(=O)NCCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000186518870 822907529 /nfs/dbraw/zinc/90/75/29/822907529.db2.gz UNFAUNLKYSQQES-UHFFFAOYSA-N 0 0 395.278 4.052 20 5 GIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1c(F)cccc1F ZINC000569355779 822910904 /nfs/dbraw/zinc/91/09/04/822910904.db2.gz YKGAUJJKRGMRAT-NSHDSACASA-N 0 0 381.354 4.022 20 5 GIBDRN COc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000175244344 822912576 /nfs/dbraw/zinc/91/25/76/822912576.db2.gz LRRWIENOSYBPIX-SNVBAGLBSA-N 0 0 396.321 4.050 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1C(F)(F)F ZINC000569373956 822913064 /nfs/dbraw/zinc/91/30/64/822913064.db2.gz CFXNJUSUZJTWKT-UHFFFAOYSA-N 0 0 385.367 4.051 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1csc([C@H](C)OCC)n1 ZINC000175273726 822921469 /nfs/dbraw/zinc/92/14/69/822921469.db2.gz JXABZHWMFGJAHT-ZDUSSCGKSA-N 0 0 379.482 4.180 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175282575 822923626 /nfs/dbraw/zinc/92/36/26/822923626.db2.gz CHLDXPMRWSKUQB-UHFFFAOYSA-N 0 0 375.812 4.485 20 5 GIBDRN COc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1SC ZINC000457903740 822931701 /nfs/dbraw/zinc/93/17/01/822931701.db2.gz QDHYYVRASIDZQV-UHFFFAOYSA-N 0 0 375.450 4.156 20 5 GIBDRN COc1ccc(CNC(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000457914464 822934387 /nfs/dbraw/zinc/93/43/87/822934387.db2.gz DEJWAOCPBDHWTF-MSOLQXFVSA-N 0 0 383.448 4.081 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000569529016 822934964 /nfs/dbraw/zinc/93/49/64/822934964.db2.gz ZVCOSSNMGBTIRJ-GOSISDBHSA-N 0 0 378.350 4.308 20 5 GIBDRN C[C@@H](NC(=O)NC[C@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000186719817 822944195 /nfs/dbraw/zinc/94/41/95/822944195.db2.gz YSZCJACZNPCMMS-MLGOLLRUSA-N 0 0 381.354 4.301 20 5 GIBDRN COc1cc(C)c(Br)cc1-c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000569623673 822946315 /nfs/dbraw/zinc/94/63/15/822946315.db2.gz NUAJYMGSYNDGFU-UHFFFAOYSA-N 0 0 396.222 4.453 20 5 GIBDRN CSCCCOC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000175368830 822948518 /nfs/dbraw/zinc/94/85/18/822948518.db2.gz YUSIBILMIGGWEX-CYBMUJFWSA-N 0 0 375.450 4.073 20 5 GIBDRN C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175379285 822952209 /nfs/dbraw/zinc/95/22/09/822952209.db2.gz WXNVIZUXZAXASO-OAHLLOKOSA-N 0 0 375.469 4.037 20 5 GIBDRN COc1cc(C)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F ZINC000186777776 822953998 /nfs/dbraw/zinc/95/39/98/822953998.db2.gz LEQYDXQDSZWDHN-UHFFFAOYSA-N 0 0 375.400 4.493 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000186794138 822956421 /nfs/dbraw/zinc/95/64/21/822956421.db2.gz JDTFAKOSSSNANQ-CYBMUJFWSA-N 0 0 398.488 4.014 20 5 GIBDRN NC(=O)c1ccnc(N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1[N+](=O)[O-] ZINC000569705214 822957221 /nfs/dbraw/zinc/95/72/21/822957221.db2.gz KBIMUZJSCAZNGT-QGZVFWFLSA-N 0 0 396.834 4.138 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000175393957 822957644 /nfs/dbraw/zinc/95/76/44/822957644.db2.gz DHHCPLYUBMDBDL-RYUDHWBXSA-N 0 0 387.299 4.104 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000186802619 822957984 /nfs/dbraw/zinc/95/79/84/822957984.db2.gz ZGYJHFHCRCKEOM-INIZCTEOSA-N 0 0 394.475 4.102 20 5 GIBDRN O=C(c1cnc(Cc2ccccc2F)s1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000186812326 822959385 /nfs/dbraw/zinc/95/93/85/822959385.db2.gz TXKVVPLICBVGOP-UHFFFAOYSA-N 0 0 397.431 4.374 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccccc2)CC(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000175403064 822960265 /nfs/dbraw/zinc/96/02/65/822960265.db2.gz LDDVXLBIFUQXFB-UHFFFAOYSA-N 0 0 393.346 4.027 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000055457272 822965781 /nfs/dbraw/zinc/96/57/81/822965781.db2.gz GRKWVUHQAPKQBL-AWEZNQCLSA-N 0 0 378.837 4.224 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000055456561 822965784 /nfs/dbraw/zinc/96/57/84/822965784.db2.gz FZWGACKBJQJNEC-ZBEGNZNMSA-N 0 0 392.864 4.369 20 5 GIBDRN C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000055465792 822966809 /nfs/dbraw/zinc/96/68/09/822966809.db2.gz OHVMFZNSCGIMIA-CYBMUJFWSA-N 0 0 385.420 4.433 20 5 GIBDRN Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000055466526 822967059 /nfs/dbraw/zinc/96/70/59/822967059.db2.gz NUAPNSBCFFCBDU-LBPRGKRZSA-N 0 0 398.444 4.070 20 5 GIBDRN CCc1nc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc1C(C)(C)C ZINC000458269989 822976158 /nfs/dbraw/zinc/97/61/58/822976158.db2.gz HMFAZOVMVRUQTI-UHFFFAOYSA-N 0 0 393.465 4.181 20 5 GIBDRN COc1cc(C(=O)Nc2cccnc2-c2csc(C)c2)c([N+](=O)[O-])cc1OC ZINC000186905010 822977531 /nfs/dbraw/zinc/97/75/31/822977531.db2.gz CDJBPPCUZWNEOQ-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN CCOc1cc(NC(=O)CC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC ZINC000569881380 822980168 /nfs/dbraw/zinc/98/01/68/822980168.db2.gz BLAQICVSZFJXPZ-UHFFFAOYSA-N 0 0 376.331 4.063 20 5 GIBDRN CC[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1nc(C)cs1 ZINC000458308612 822981563 /nfs/dbraw/zinc/98/15/63/822981563.db2.gz ITSCZDLUCAFIPY-RDJZCZTQSA-N 0 0 388.493 4.400 20 5 GIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1cccc(Cl)c1 ZINC000055583059 822982240 /nfs/dbraw/zinc/98/22/40/822982240.db2.gz VBILHJNHMJCVSH-UHFFFAOYSA-N 0 0 377.809 4.449 20 5 GIBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055593078 822984060 /nfs/dbraw/zinc/98/40/60/822984060.db2.gz HOUAUOLPYNVIHJ-HUUCEWRRSA-N 0 0 395.459 4.274 20 5 GIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000569914675 822985146 /nfs/dbraw/zinc/98/51/46/822985146.db2.gz NLSJVFIBHWJRGR-UHFFFAOYSA-N 0 0 386.427 4.257 20 5 GIBDRN C[C@]1(NC(=O)c2ccc(C(=O)N[C@]3(C)CC=CCC3)c([N+](=O)[O-])c2)CC=CCC1 ZINC000458349771 822985515 /nfs/dbraw/zinc/98/55/15/822985515.db2.gz QTHSZZYUIRNQNW-FCHUYYIVSA-N 0 0 397.475 4.052 20 5 GIBDRN CCOc1cc(C)ccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000055618592 822988231 /nfs/dbraw/zinc/98/82/31/822988231.db2.gz XTGIOYDYZJBZQL-UHFFFAOYSA-N 0 0 390.461 4.182 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000055679525 822997386 /nfs/dbraw/zinc/99/73/86/822997386.db2.gz KSXCJPSWCLPBBH-UHFFFAOYSA-N 0 0 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ZBAGRLBOZDMTKA-CQSZACIVSA-N 0 0 390.173 4.153 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(F)c1 ZINC000413162469 823718909 /nfs/dbraw/zinc/71/89/09/823718909.db2.gz OHQYPDMZWWGPQI-UHFFFAOYSA-N 0 0 385.424 4.031 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)[C@@H]1C ZINC000461864043 823726579 /nfs/dbraw/zinc/72/65/79/823726579.db2.gz WCJIIUUWBTWGJU-GPMSIDNRSA-N 0 0 399.495 4.047 20 5 GIBDRN CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000413212111 823728513 /nfs/dbraw/zinc/72/85/13/823728513.db2.gz YJVITHDIYBMMJR-LSDHHAIUSA-N 0 0 393.365 4.422 20 5 GIBDRN CC(C)c1nc(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000413217215 823730234 /nfs/dbraw/zinc/73/02/34/823730234.db2.gz YAAOYUGHWSWHSI-DLBZAZTESA-N 0 0 391.431 4.246 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 ZINC000413226670 823732438 /nfs/dbraw/zinc/73/24/38/823732438.db2.gz HIAIOMYEOKSXPD-AWEZNQCLSA-N 0 0 387.745 4.240 20 5 GIBDRN C[C@H](NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000574448223 823733673 /nfs/dbraw/zinc/73/36/73/823733673.db2.gz ZHLFBMHSHCJHQL-ZFWWWQNUSA-N 0 0 395.381 4.376 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCc2ccsc23)c2cccnc21 ZINC000413229719 823734200 /nfs/dbraw/zinc/73/42/00/823734200.db2.gz HXJQEKUVYYTOPX-UHFFFAOYSA-N 0 0 381.457 4.273 20 5 GIBDRN Cc1cccc(CC2(O)CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000413257055 823739704 /nfs/dbraw/zinc/73/97/04/823739704.db2.gz AOIHVYBQNSAHIV-UHFFFAOYSA-N 0 0 377.444 4.025 20 5 GIBDRN CCOC(=O)c1csc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000413260164 823740189 /nfs/dbraw/zinc/74/01/89/823740189.db2.gz JAESPBYDZLBQFP-INIZCTEOSA-N 0 0 398.444 4.118 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)n1 ZINC000191703327 823741067 /nfs/dbraw/zinc/74/10/67/823741067.db2.gz JCQKKPKHUDPTKK-UHFFFAOYSA-N 0 0 387.346 4.085 20 5 GIBDRN COc1ccccc1[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000163762570 823746127 /nfs/dbraw/zinc/74/61/27/823746127.db2.gz AGMGQZQYIVHIJP-SFHVURJKSA-N 0 0 386.791 4.369 20 5 GIBDRN CCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000064128244 823752068 /nfs/dbraw/zinc/75/20/68/823752068.db2.gz DIENRBQUEOBLKQ-UHFFFAOYSA-N 0 0 379.210 4.398 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCc2ccccc23)c2ncccc12 ZINC000413320395 823752047 /nfs/dbraw/zinc/75/20/47/823752047.db2.gz FRRXEWLHHVVGKA-UHFFFAOYSA-N 0 0 375.428 4.211 20 5 GIBDRN O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163849113 823754241 /nfs/dbraw/zinc/75/42/41/823754241.db2.gz BFVXYGZCWLVQCK-UHFFFAOYSA-N 0 0 378.350 4.347 20 5 GIBDRN O=C(CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1F ZINC000163853190 823754358 /nfs/dbraw/zinc/75/43/58/823754358.db2.gz WMBKSTFTJXBHOL-UHFFFAOYSA-N 0 0 388.370 4.027 20 5 GIBDRN Cc1cc(N[C@@H]2CCO[C@@H](c3cccs3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413349300 823757284 /nfs/dbraw/zinc/75/72/84/823757284.db2.gz GDJZDHRRJGRZAL-NVXWUHKLSA-N 0 0 396.472 4.176 20 5 GIBDRN O=C(Cc1ccccc1C(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163917630 823760500 /nfs/dbraw/zinc/76/05/00/823760500.db2.gz GCPWVTQZFGOTGJ-UHFFFAOYSA-N 0 0 378.350 4.347 20 5 GIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000413374441 823762639 /nfs/dbraw/zinc/76/26/39/823762639.db2.gz LNCKKYWSLUAUMG-MRXNPFEDSA-N 0 0 390.237 4.296 20 5 GIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163946153 823764398 /nfs/dbraw/zinc/76/43/98/823764398.db2.gz YSMOUPGXOPSHRS-CYBMUJFWSA-N 0 0 387.411 4.178 20 5 GIBDRN CC(=O)c1cc(N2CCC[C@H]2c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000413383265 823764582 /nfs/dbraw/zinc/76/45/82/823764582.db2.gz XJQVEWKPYMZDET-KRWDZBQOSA-N 0 0 390.237 4.296 20 5 GIBDRN Cc1cc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948692 823768854 /nfs/dbraw/zinc/76/88/54/823768854.db2.gz NWTSMPCLKZOCEM-RNCFNFMXSA-N 0 0 386.292 4.062 20 5 GIBDRN Cc1cc(N2CCC[C@H](c3nncn3C(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950641 823769398 /nfs/dbraw/zinc/76/93/98/823769398.db2.gz VJYNUWCJVDMGDC-ZDUSSCGKSA-N 0 0 397.401 4.478 20 5 GIBDRN CCO[C@H](C)c1noc(CN(C)c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000461953298 823769850 /nfs/dbraw/zinc/76/98/50/823769850.db2.gz AWPSFHFIEKVLEG-SNVBAGLBSA-N 0 0 388.346 4.039 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c2ccncc21 ZINC000413405464 823770391 /nfs/dbraw/zinc/77/03/91/823770391.db2.gz XZIDWRDADRLCSH-QGZVFWFLSA-N 0 0 395.381 4.328 20 5 GIBDRN Cc1cc(Nc2cccc([C@@H]3CNC(=O)C3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965317 823774699 /nfs/dbraw/zinc/77/46/99/823774699.db2.gz XZSILKLADKUDRR-LBPRGKRZSA-N 0 0 379.338 4.269 20 5 GIBDRN Cc1cc(N2CCn3c(nnc3C3CCCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965484 823774715 /nfs/dbraw/zinc/77/47/15/823774715.db2.gz NHAZJBPDYHASKS-UHFFFAOYSA-N 0 0 395.385 4.191 20 5 GIBDRN COc1ccc(CC(=O)N(c2cnc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] ZINC000574598652 823775978 /nfs/dbraw/zinc/77/59/78/823775978.db2.gz OPKLQRFXYHOVLR-UHFFFAOYSA-N 0 0 379.416 4.136 20 5 GIBDRN CC(C)c1ccc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)cc1[N+](=O)[O-] ZINC000574603290 823777594 /nfs/dbraw/zinc/77/75/94/823777594.db2.gz OPUBMPXHGQVACB-UHFFFAOYSA-N 0 0 390.403 4.075 20 5 GIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000164105284 823778266 /nfs/dbraw/zinc/77/82/66/823778266.db2.gz SGGCGBQCJJYKNY-ZDUSSCGKSA-N 0 0 389.477 4.153 20 5 GIBDRN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243458 823779829 /nfs/dbraw/zinc/77/98/29/823779829.db2.gz PUPHVPJAHCBLFO-UHFFFAOYSA-N 0 0 386.470 4.177 20 5 GIBDRN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000126076076 823780914 /nfs/dbraw/zinc/78/09/14/823780914.db2.gz XDUIJYHFXGOWFC-INIZCTEOSA-N 0 0 389.839 4.090 20 5 GIBDRN Cn1ccnc1[C@@H](NCc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000574611893 823781349 /nfs/dbraw/zinc/78/13/49/823781349.db2.gz QEYAGMGVSXAIAF-IBGZPJMESA-N 0 0 378.457 4.422 20 5 GIBDRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000164149944 823781634 /nfs/dbraw/zinc/78/16/34/823781634.db2.gz LNWKNSIQJUJIOZ-KRWDZBQOSA-N 0 0 375.428 4.299 20 5 GIBDRN COc1ccc(Cl)cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000164205481 823785829 /nfs/dbraw/zinc/78/58/29/823785829.db2.gz KBJKXLQILIQLQN-UHFFFAOYSA-N 0 0 389.839 4.131 20 5 GIBDRN CSCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1nnc2ccccn21 ZINC000164259068 823790171 /nfs/dbraw/zinc/79/01/71/823790171.db2.gz ZGGZJFJDJSBVTD-YOEHRIQHSA-N 0 0 385.493 4.091 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000164292839 823793691 /nfs/dbraw/zinc/79/36/91/823793691.db2.gz UFJWWCJKAFSDEN-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]3[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1 ZINC000574661647 823794062 /nfs/dbraw/zinc/79/40/62/823794062.db2.gz WYWCWMVXHLIEIN-PZJWPPBQSA-N 0 0 395.459 4.303 20 5 GIBDRN Cc1cc(N2CC3(CCOCC3)[C@@H]2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413557151 823796620 /nfs/dbraw/zinc/79/66/20/823796620.db2.gz TYWGNJVNCWCQIV-IBGZPJMESA-N 0 0 382.464 4.002 20 5 GIBDRN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)c1 ZINC000126135140 823796759 /nfs/dbraw/zinc/79/67/59/823796759.db2.gz BVSFNWUJEUUOPW-UHFFFAOYSA-N 0 0 397.218 4.247 20 5 GIBDRN O=C(NCCOc1cccc(Cl)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574677954 823798565 /nfs/dbraw/zinc/79/85/65/823798565.db2.gz NGCOTHCVJLRHQX-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)c1 ZINC000164371532 823798771 /nfs/dbraw/zinc/79/87/71/823798771.db2.gz JFKBOHLICTXDCI-IEBWSBKVSA-N 0 0 386.473 4.184 20 5 GIBDRN COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000413573988 823799514 /nfs/dbraw/zinc/79/95/14/823799514.db2.gz SUJXAPXDAZLJBT-LBPRGKRZSA-N 0 0 377.828 4.159 20 5 GIBDRN Cc1cccc2c1OCC[C@H]2NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000191886684 823803917 /nfs/dbraw/zinc/80/39/17/823803917.db2.gz ZDIPUVHBGXQWID-LJQANCHMSA-N 0 0 381.432 4.101 20 5 GIBDRN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000164520771 823806416 /nfs/dbraw/zinc/80/64/16/823806416.db2.gz ZHTYPKMKSRYHDO-UHFFFAOYSA-N 0 0 393.443 4.377 20 5 GIBDRN COc1cc(C(=O)Nc2c(F)cccc2Br)cc([N+](=O)[O-])c1C ZINC000191920845 823811857 /nfs/dbraw/zinc/81/18/57/823811857.db2.gz GOODYVVWAUWVPQ-UHFFFAOYSA-N 0 0 383.173 4.066 20 5 GIBDRN Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(Cl)nc2ccccc12 ZINC000126229391 823816256 /nfs/dbraw/zinc/81/62/56/823816256.db2.gz NGKNMLPTNSTFSS-UHFFFAOYSA-N 0 0 381.617 4.112 20 5 GIBDRN COc1ccc(-c2csc3[nH]c(-c4ccc([N+](=O)[O-])s4)nc(=O)c23)cc1 ZINC000165049367 823832234 /nfs/dbraw/zinc/83/22/34/823832234.db2.gz AUEGZYWWEOVLLD-UHFFFAOYSA-N 0 0 385.426 4.297 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(F)cc1OC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000574831686 823836903 /nfs/dbraw/zinc/83/69/03/823836903.db2.gz XMPWLOVOGGSGAT-ZDUSSCGKSA-N 0 0 388.395 4.034 20 5 GIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1csc(-c3ccccc3F)n1)CCO2 ZINC000574847161 823841563 /nfs/dbraw/zinc/84/15/63/823841563.db2.gz PAJYQJCXOVNGDP-UHFFFAOYSA-N 0 0 385.420 4.252 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c1[N+](=O)[O-] ZINC000126340602 823843933 /nfs/dbraw/zinc/84/39/33/823843933.db2.gz MCJFZUCQTGWTRQ-UHFFFAOYSA-N 0 0 392.358 4.389 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000462162034 823849545 /nfs/dbraw/zinc/84/95/45/823849545.db2.gz ZLANMFKVYJOICS-WMZOPIPTSA-N 0 0 392.521 4.420 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000462162033 823849824 /nfs/dbraw/zinc/84/98/24/823849824.db2.gz ZLANMFKVYJOICS-SJLPKXTDSA-N 0 0 392.521 4.420 20 5 GIBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413882331 823857216 /nfs/dbraw/zinc/85/72/16/823857216.db2.gz PVHMCQREJKSJTH-UHFFFAOYSA-N 0 0 389.839 4.053 20 5 GIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413930187 823868990 /nfs/dbraw/zinc/86/89/90/823868990.db2.gz VEHJZMGLERGHIA-UHFFFAOYSA-N 0 0 389.839 4.053 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccs1)C1CC1 ZINC000064723859 823871997 /nfs/dbraw/zinc/87/19/97/823871997.db2.gz ROGVPDDPMUSEKJ-LLVKDONJSA-N 0 0 380.853 4.268 20 5 GIBDRN COc1cc(CCO)ccc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000574961927 823872989 /nfs/dbraw/zinc/87/29/89/823872989.db2.gz NXQJRMSPNQPXCK-UHFFFAOYSA-N 0 0 384.457 4.479 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cnn(-c3cccc(C)c3)c2CC)cc1[N+](=O)[O-] ZINC000192149645 823881142 /nfs/dbraw/zinc/88/11/42/823881142.db2.gz OBLCBPJXXWRODZ-UHFFFAOYSA-N 0 0 394.431 4.302 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000413979284 823882163 /nfs/dbraw/zinc/88/21/63/823882163.db2.gz QOMMDUCTUAKDJK-GOSISDBHSA-N 0 0 392.521 4.374 20 5 GIBDRN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064779048 823884597 /nfs/dbraw/zinc/88/45/97/823884597.db2.gz 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WNFLUUAEUZJSHC-UHFFFAOYSA-N 0 0 393.418 4.322 20 5 GIBDRN Cc1ccc(-c2ccncc2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000171052896 824048735 /nfs/dbraw/zinc/04/87/35/824048735.db2.gz XQCOLQVZDKGUMF-UHFFFAOYSA-N 0 0 377.400 4.373 20 5 GIBDRN Cc1nc(CN(C(=O)c2cc([N+](=O)[O-])cnc2C)c2ccc(F)cc2)cs1 ZINC000192625796 824049294 /nfs/dbraw/zinc/04/92/94/824049294.db2.gz LUEDOESTCZFMPZ-UHFFFAOYSA-N 0 0 386.408 4.049 20 5 GIBDRN Cc1nc(-c2ccccc2NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000576022932 824051741 /nfs/dbraw/zinc/05/17/41/824051741.db2.gz JMEHETCLAHPQIL-UHFFFAOYSA-N 0 0 398.444 4.227 20 5 GIBDRN O=C(Nc1ccccc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015993653 210180822 /nfs/dbraw/zinc/18/08/22/210180822.db2.gz XDEITEJQFYZOLY-UHFFFAOYSA-N 0 0 391.374 4.051 20 5 GIBDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000014049320 210101137 /nfs/dbraw/zinc/10/11/37/210101137.db2.gz RXFFJBCPGUWEJE-BETUJISGSA-N 0 0 390.823 4.290 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC000007848575 209748274 /nfs/dbraw/zinc/74/82/74/209748274.db2.gz VSWFFYYSHATVKL-UHFFFAOYSA-N 0 0 389.280 4.333 20 5 GIBDRN Cc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2C)c(Br)c1 ZINC000007954719 212073483 /nfs/dbraw/zinc/07/34/83/212073483.db2.gz QOFYZYGIYQYHDO-UHFFFAOYSA-N 0 0 378.226 4.025 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(Br)cc1C ZINC000007954831 212072553 /nfs/dbraw/zinc/07/25/53/212072553.db2.gz RKGQUQTXSJAZJC-UHFFFAOYSA-N 0 0 378.226 4.025 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000008280563 212075009 /nfs/dbraw/zinc/07/50/09/212075009.db2.gz VWWNXQPSYOJBPS-UHFFFAOYSA-N 0 0 394.412 4.232 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000008286761 212074543 /nfs/dbraw/zinc/07/45/43/212074543.db2.gz FHWPXYQPAPYTBA-UHFFFAOYSA-N 0 0 383.187 4.331 20 5 GIBDRN Cc1cc(C)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000006151975 212069019 /nfs/dbraw/zinc/06/90/19/212069019.db2.gz IQFOOCSOYQVINX-UHFFFAOYSA-N 0 0 397.460 4.052 20 5 GIBDRN O=C(Nc1ccc(Br)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006124897 212068232 /nfs/dbraw/zinc/06/82/32/212068232.db2.gz ZJXGFOKFAJRSNC-UHFFFAOYSA-N 0 0 376.210 4.184 20 5 GIBDRN Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000005118639 212065030 /nfs/dbraw/zinc/06/50/30/212065030.db2.gz UNVVLIBAQQLNSU-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN Cc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000004485790 212064632 /nfs/dbraw/zinc/06/46/32/212064632.db2.gz OKPKJCDGPJSOAU-UHFFFAOYSA-N 0 0 376.825 4.164 20 5 GIBDRN Cc1nc2ccccc2c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000004241704 220696836 /nfs/dbraw/zinc/69/68/36/220696836.db2.gz RLCMQIPTQAPQFD-UHFFFAOYSA-N 0 0 388.836 4.231 20 5 GIBDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797941 823045463 /nfs/dbraw/zinc/04/54/63/823045463.db2.gz AKQDSXKHGPQIFC-UHFFFAOYSA-N 0 0 385.420 4.020 20 5 GIBDRN Cc1sc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000055833200 823050649 /nfs/dbraw/zinc/05/06/49/823050649.db2.gz OLXGLYSYEHVENH-UHFFFAOYSA-N 0 0 387.461 4.023 20 5 GIBDRN CCCCOc1ccc(OC)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055840960 823051479 /nfs/dbraw/zinc/05/14/79/823051479.db2.gz ZNLWSJWIMPCQOC-UHFFFAOYSA-N 0 0 398.419 4.444 20 5 GIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000187374707 823052106 /nfs/dbraw/zinc/05/21/06/823052106.db2.gz JBCRCGJOKHBBFC-UHFFFAOYSA-N 0 0 388.851 4.365 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](CO)(CCC)C1 ZINC000570559800 823054654 /nfs/dbraw/zinc/05/46/54/823054654.db2.gz OEDJGJVTMHHWDR-LJQANCHMSA-N 0 0 380.510 4.112 20 5 GIBDRN C[C@H](OC(=O)C1(c2ccc(F)cc2F)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120738064 823055090 /nfs/dbraw/zinc/05/50/90/823055090.db2.gz YQJSEBPYTMEGIR-ZDUSSCGKSA-N 0 0 391.370 4.226 20 5 GIBDRN O=C(Nc1nnc(C2CCOCC2)s1)c1cc2ccccc2c2cccnc12 ZINC000570596428 823059524 /nfs/dbraw/zinc/05/95/24/823059524.db2.gz JVFKKLYVIOPAJW-UHFFFAOYSA-N 0 0 390.468 4.386 20 5 GIBDRN C[C@@H](Cc1cncc2ccccc21)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000570622183 823063528 /nfs/dbraw/zinc/06/35/28/823063528.db2.gz ZENAEVCOAOMPKX-GJZGRUSLSA-N 0 0 375.428 4.299 20 5 GIBDRN O=C(NCC1(O)CCCCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000120802466 823067044 /nfs/dbraw/zinc/06/70/44/823067044.db2.gz MREIREDKCYCFSW-UHFFFAOYSA-N 0 0 378.494 4.055 20 5 GIBDRN CC1(C)C[C@@H](NCc2nnc(-c3ccc(F)cc3)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000570658731 823068208 /nfs/dbraw/zinc/06/82/08/823068208.db2.gz NEWSCBNPIZBVJR-QGZVFWFLSA-N 0 0 381.411 4.031 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(Cc1ccccc1)CC1CCOCC1 ZINC000120817820 823070454 /nfs/dbraw/zinc/07/04/54/823070454.db2.gz ZBUZRXLSLWJQBD-UHFFFAOYSA-N 0 0 388.851 4.317 20 5 GIBDRN CC(C)c1ccc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000187521076 823080290 /nfs/dbraw/zinc/08/02/90/823080290.db2.gz AILOVFQDFLTJRY-NRFANRHFSA-N 0 0 382.439 4.470 20 5 GIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570771061 823084714 /nfs/dbraw/zinc/08/47/14/823084714.db2.gz HTNVXAOWGGOKEM-VBHSOAQHSA-N 0 0 376.840 4.244 20 5 GIBDRN CCCCN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000175979199 823087701 /nfs/dbraw/zinc/08/77/01/823087701.db2.gz SZAWTQFQIZKGDQ-UHFFFAOYSA-N 0 0 397.191 4.091 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C ZINC000120943752 823090657 /nfs/dbraw/zinc/09/06/57/823090657.db2.gz VHYJCVLIMLUTQM-UHFFFAOYSA-N 0 0 379.457 4.234 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000175995073 823091258 /nfs/dbraw/zinc/09/12/58/823091258.db2.gz NONWLALBWZVJQG-LDQXTDLNSA-N 0 0 397.475 4.431 20 5 GIBDRN COc1ccc(C(=O)Nc2cc(Br)c(C)cc2C)cc1[N+](=O)[O-] ZINC000187595487 823094677 /nfs/dbraw/zinc/09/46/77/823094677.db2.gz ZSBXZGBCGIDERF-UHFFFAOYSA-N 0 0 379.210 4.235 20 5 GIBDRN COCCOc1ccccc1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000570852301 823095631 /nfs/dbraw/zinc/09/56/31/823095631.db2.gz UCBOMDTVGVAGON-KRWDZBQOSA-N 0 0 384.354 4.013 20 5 GIBDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000176013183 823095753 /nfs/dbraw/zinc/09/57/53/823095753.db2.gz IRWQOHOHJVSLRJ-UHFFFAOYSA-N 0 0 383.448 4.034 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOc2ccc(Cl)cc21 ZINC000176016046 823096372 /nfs/dbraw/zinc/09/63/72/823096372.db2.gz HYVOFTFXRYLWHE-UHFFFAOYSA-N 0 0 397.612 4.050 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000458894505 823103003 /nfs/dbraw/zinc/10/30/03/823103003.db2.gz YVFWAXHVKHQWSO-BLLLJJGKSA-N 0 0 388.493 4.394 20 5 GIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000570875194 823100168 /nfs/dbraw/zinc/10/01/68/823100168.db2.gz JSTYTJPUBKWEEJ-UHFFFAOYSA-N 0 0 377.803 4.075 20 5 GIBDRN O=C(Nc1ccc(C2CCC2)cn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000570878181 823100959 /nfs/dbraw/zinc/10/09/59/823100959.db2.gz RNOOTYOKBUHQEE-UHFFFAOYSA-N 0 0 395.337 4.451 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000121019145 823103877 /nfs/dbraw/zinc/10/38/77/823103877.db2.gz ZACANQDRBOYNNA-QMTHXVAHSA-N 0 0 380.828 4.395 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000121027219 823105252 /nfs/dbraw/zinc/10/52/52/823105252.db2.gz RVCIEKCZJRWCHQ-CQSZACIVSA-N 0 0 395.390 4.199 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000056224419 823107003 /nfs/dbraw/zinc/10/70/03/823107003.db2.gz SMGWPSNNLVVBAA-UHFFFAOYSA-N 0 0 381.432 4.218 20 5 GIBDRN Cc1sc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000056275170 823119189 /nfs/dbraw/zinc/11/91/89/823119189.db2.gz SGMUBXVIXOJYOH-GFCCVEGCSA-N 0 0 396.852 4.428 20 5 GIBDRN CC(=O)c1cccc(OCCCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 ZINC000570982614 823115419 /nfs/dbraw/zinc/11/54/19/823115419.db2.gz YWPXWIGGAAFGIE-UHFFFAOYSA-N 0 0 395.415 4.091 20 5 GIBDRN O=C(c1ccco1)N1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121108008 823120045 /nfs/dbraw/zinc/12/00/45/823120045.db2.gz OUNGSMGVGNBSLT-UHFFFAOYSA-N 0 0 384.219 4.211 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000459053385 823121018 /nfs/dbraw/zinc/12/10/18/823121018.db2.gz AQELDMMMBWXKLU-JCNLHEQBSA-N 0 0 383.448 4.084 20 5 GIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c2cnn(C(C)C)c2n1 ZINC000056288172 823121839 /nfs/dbraw/zinc/12/18/39/823121839.db2.gz VUJDRHMBUNXDKD-UHFFFAOYSA-N 0 0 395.463 4.280 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000056288406 823122073 /nfs/dbraw/zinc/12/20/73/823122073.db2.gz BLLDYCCZXGHIFQ-MGPUTAFESA-N 0 0 395.459 4.240 20 5 GIBDRN C[C@@H](C(=O)NCc1ccnc(OC2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000571035692 823123163 /nfs/dbraw/zinc/12/31/63/823123163.db2.gz YFKICHLUEYNEGF-OAHLLOKOSA-N 0 0 383.448 4.121 20 5 GIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121140568 823125804 /nfs/dbraw/zinc/12/58/04/823125804.db2.gz GQFOIAGTHIQHCA-UHFFFAOYSA-N 0 0 390.443 4.015 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000187756162 823126458 /nfs/dbraw/zinc/12/64/58/823126458.db2.gz XYLONWUOKVNQNY-DLBZAZTESA-N 0 0 398.459 4.143 20 5 GIBDRN CC[C@H]1CC[C@H](c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)CC1 ZINC000571085965 823129894 /nfs/dbraw/zinc/12/98/94/823129894.db2.gz GSWYTKLOHJHMAG-JOCQHMNTSA-N 0 0 375.425 4.270 20 5 GIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000056343885 823131860 /nfs/dbraw/zinc/13/18/60/823131860.db2.gz JPIKVQCRJBHSOF-UHFFFAOYSA-N 0 0 382.420 4.045 20 5 GIBDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056349722 823133696 /nfs/dbraw/zinc/13/36/96/823133696.db2.gz QQPRGWPVKMNHQP-AWEZNQCLSA-N 0 0 390.823 4.448 20 5 GIBDRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056349743 823133964 /nfs/dbraw/zinc/13/39/64/823133964.db2.gz VSGGTODWUDUSOH-OAHLLOKOSA-N 0 0 395.415 4.276 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2ccsc2)CC1 ZINC000187802741 823136809 /nfs/dbraw/zinc/13/68/09/823136809.db2.gz UGNOUCPPOTYJJJ-UHFFFAOYSA-N 0 0 399.516 4.279 20 5 GIBDRN Cc1noc(C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccccc2)n1 ZINC000571142208 823140338 /nfs/dbraw/zinc/14/03/38/823140338.db2.gz XKUCGRPGWGUSOQ-SFHVURJKSA-N 0 0 375.388 4.230 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000056379998 823140267 /nfs/dbraw/zinc/14/02/67/823140267.db2.gz NXEUUBBYCGPCPU-UHFFFAOYSA-N 0 0 399.428 4.200 20 5 GIBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000187832430 823142270 /nfs/dbraw/zinc/14/22/70/823142270.db2.gz TVPAZHQBOOZQCX-KSSFIOAISA-N 0 0 386.473 4.027 20 5 GIBDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187834252 823142424 /nfs/dbraw/zinc/14/24/24/823142424.db2.gz UARJSUBVOLPFOF-UHFFFAOYSA-N 0 0 399.447 4.071 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459199496 823142631 /nfs/dbraw/zinc/14/26/31/823142631.db2.gz GYSBPQKDTNAZDJ-INIZCTEOSA-N 0 0 382.464 4.075 20 5 GIBDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000056405993 823144943 /nfs/dbraw/zinc/14/49/43/823144943.db2.gz LNKSKTCHSXBSCQ-UHFFFAOYSA-N 0 0 392.459 4.474 20 5 GIBDRN CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000176175786 823145051 /nfs/dbraw/zinc/14/50/51/823145051.db2.gz OMTBWYKLJHCNNC-HXUWFJFHSA-N 0 0 394.427 4.126 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c1[N+](=O)[O-] ZINC000176180523 823146603 /nfs/dbraw/zinc/14/66/03/823146603.db2.gz XWBWVBZEGYRVSW-UHFFFAOYSA-N 0 0 386.408 4.179 20 5 GIBDRN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c(C(F)(F)F)c1 ZINC000121245250 823146652 /nfs/dbraw/zinc/14/66/52/823146652.db2.gz UFUIDRSSFABAQC-UHFFFAOYSA-N 0 0 384.310 4.273 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000121267859 823151630 /nfs/dbraw/zinc/15/16/30/823151630.db2.gz KRDQFQGBNNBQLU-OAHLLOKOSA-N 0 0 378.860 4.047 20 5 GIBDRN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C ZINC000121277125 823153392 /nfs/dbraw/zinc/15/33/92/823153392.db2.gz CLESQCQNWVPHNA-UHFFFAOYSA-N 0 0 385.420 4.180 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2cccc(F)c2F)CC1 ZINC000571239794 823153795 /nfs/dbraw/zinc/15/37/95/823153795.db2.gz JWDWJOWXOFYIDO-UHFFFAOYSA-N 0 0 396.340 4.100 20 5 GIBDRN CCOc1cccc2cc([C@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3)oc21 ZINC000056459471 823154391 /nfs/dbraw/zinc/15/43/91/823154391.db2.gz IRUQYWCGKUTIBU-ZDUSSCGKSA-N 0 0 383.404 4.300 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571244958 823154676 /nfs/dbraw/zinc/15/46/76/823154676.db2.gz GSLNJEQTUTYFEN-KRWDZBQOSA-N 0 0 386.839 4.340 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000121286021 823155101 /nfs/dbraw/zinc/15/51/01/823155101.db2.gz UFPYUVVMPVJRPE-IBGZPJMESA-N 0 0 397.431 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ZINC000176260892 823165772 /nfs/dbraw/zinc/16/57/72/823165772.db2.gz QCVLKCGLVWSFBG-UHFFFAOYSA-N 0 0 387.486 4.270 20 5 GIBDRN CSc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1[N+](=O)[O-] ZINC000188014985 823172207 /nfs/dbraw/zinc/17/22/07/823172207.db2.gz WLDROJXDORPUPK-OAHLLOKOSA-N 0 0 393.896 4.003 20 5 GIBDRN C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCC1(F)F ZINC000571370770 823173358 /nfs/dbraw/zinc/17/33/58/823173358.db2.gz BQDWMQDWYCVRPS-VIFPVBQESA-N 0 0 386.196 4.387 20 5 GIBDRN CC(C)C(=O)Nc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000121378239 823173467 /nfs/dbraw/zinc/17/34/67/823173467.db2.gz WQMNZYZAYUNOLY-UHFFFAOYSA-N 0 0 396.447 4.386 20 5 GIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000188048036 823177287 /nfs/dbraw/zinc/17/72/87/823177287.db2.gz MIHVGLCTYMKVNI-GFCCVEGCSA-N 0 0 392.481 4.188 20 5 GIBDRN O=C(NC(c1cccs1)c1cccs1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000121390990 823176168 /nfs/dbraw/zinc/17/61/68/823176168.db2.gz 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CC(C)(NC(=O)NCc1csc(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000121570190 823208123 /nfs/dbraw/zinc/20/81/23/823208123.db2.gz AJTQIJNCMBBRKT-UHFFFAOYSA-N 0 0 386.433 4.046 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121570669 823208276 /nfs/dbraw/zinc/20/82/76/823208276.db2.gz OHGNEASKAQOUQW-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000188268516 823211693 /nfs/dbraw/zinc/21/16/93/823211693.db2.gz NMKUJNYKEPQZNV-SNVBAGLBSA-N 0 0 395.337 4.080 20 5 GIBDRN CSc1cccc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)c1[N+](=O)[O-] ZINC000188270992 823211988 /nfs/dbraw/zinc/21/19/88/823211988.db2.gz VDSGWNGOEUJXAG-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN COc1cc(-c2nc(Cc3c[nH]c4ccc(F)cc34)no2)cc([N+](=O)[O-])c1C ZINC000571683982 823218582 /nfs/dbraw/zinc/21/85/82/823218582.db2.gz WXSORYGEPKSDJX-UHFFFAOYSA-N 0 0 382.351 4.173 20 5 GIBDRN CC(C)(NC(=O)Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000176505442 823223690 /nfs/dbraw/zinc/22/36/90/823223690.db2.gz AXWLIUJDLVJWEJ-UHFFFAOYSA-N 0 0 383.267 4.013 20 5 GIBDRN CSc1nnc(CCCNc2cccc(C)c2[N+](=O)[O-])n1C1CCCC1 ZINC000188356663 823225175 /nfs/dbraw/zinc/22/51/75/823225175.db2.gz TWEMMKOJFFXXBL-UHFFFAOYSA-N 0 0 375.498 4.376 20 5 GIBDRN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000409474061 823228828 /nfs/dbraw/zinc/22/88/28/823228828.db2.gz IKGZPCMAULWLGD-MZKGEVEHSA-N 0 0 392.814 4.342 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000571750654 823229562 /nfs/dbraw/zinc/22/95/62/823229562.db2.gz ZJCZRXZICASPFA-AWEZNQCLSA-N 0 0 376.840 4.282 20 5 GIBDRN CCCn1cc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cn1 ZINC000121722751 823237366 /nfs/dbraw/zinc/23/73/66/823237366.db2.gz PTZXXMRVVWRZPZ-UHFFFAOYSA-N 0 0 396.447 4.401 20 5 GIBDRN CC(C)(C)c1csc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000121701403 823233607 /nfs/dbraw/zinc/23/36/07/823233607.db2.gz DURRKDJFNLDNTA-UHFFFAOYSA-N 0 0 388.493 4.223 20 5 GIBDRN CCOc1cc(N[C@@H](Cn2ccccc2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000409538213 823245176 /nfs/dbraw/zinc/24/51/76/823245176.db2.gz WKDZBFNDOLDRTQ-SFHVURJKSA-N 0 0 379.416 4.009 20 5 GIBDRN O=C(Nc1cccc(NC2CCCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000409566321 823250493 /nfs/dbraw/zinc/25/04/93/823250493.db2.gz WWDBCJDTBQVNOV-UHFFFAOYSA-N 0 0 391.431 4.387 20 5 GIBDRN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(OC)c1OC ZINC000057139330 823253946 /nfs/dbraw/zinc/25/39/46/823253946.db2.gz HNCMFRQGGNJNPZ-UHFFFAOYSA-N 0 0 386.326 4.252 20 5 GIBDRN CCc1cc(N2CCC[C@H]2c2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057140391 823254256 /nfs/dbraw/zinc/25/42/56/823254256.db2.gz CSKFSBQWDQFSOZ-IBGZPJMESA-N 0 0 375.432 4.351 20 5 GIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000409581840 823254461 /nfs/dbraw/zinc/25/44/61/823254461.db2.gz MMLGBLUXBJRCGV-FOIQADDNSA-N 0 0 380.400 4.239 20 5 GIBDRN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] 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ZINC000409652702 823274685 /nfs/dbraw/zinc/27/46/85/823274685.db2.gz QFWVUOXALFEJIY-QGZVFWFLSA-N 0 0 392.440 4.331 20 5 GIBDRN CCOc1cc(OCc2nc(-c3cc(F)c(F)c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000188609077 823272356 /nfs/dbraw/zinc/27/23/56/823272356.db2.gz UXVUDQMIVFTBPC-UHFFFAOYSA-N 0 0 395.293 4.040 20 5 GIBDRN COc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000057275104 823274744 /nfs/dbraw/zinc/27/47/44/823274744.db2.gz NITKXGZRJZPIHL-SFHVURJKSA-N 0 0 386.404 4.323 20 5 GIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)c2ccccc12 ZINC000005443097 817584111 /nfs/dbraw/zinc/58/41/11/817584111.db2.gz GMHCOULEBZXODT-UHFFFAOYSA-N 0 0 398.802 4.127 20 5 GIBDRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000005448915 817584703 /nfs/dbraw/zinc/58/47/03/817584703.db2.gz RKBCARJSFDMGTJ-UHFFFAOYSA-N 0 0 399.834 4.467 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005485194 817588581 /nfs/dbraw/zinc/58/85/81/817588581.db2.gz 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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005671447 817607354 /nfs/dbraw/zinc/60/73/54/817607354.db2.gz PNDLOPHEJCLCBS-RMKNXTFCSA-N 0 0 396.384 4.278 20 5 GIBDRN CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000005680758 817609149 /nfs/dbraw/zinc/60/91/49/817609149.db2.gz VKVQBYWTIPUWDY-AUUYWEPGSA-N 0 0 384.432 4.215 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1[N+](=O)[O-] ZINC000176728923 823279557 /nfs/dbraw/zinc/27/95/57/823279557.db2.gz UGQBNUUBQQXHFI-CYBMUJFWSA-N 0 0 396.422 4.353 20 5 GIBDRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccco1 ZINC000005966851 817632894 /nfs/dbraw/zinc/63/28/94/817632894.db2.gz XXKKUECNYKLRRD-OAHLLOKOSA-N 0 0 396.399 4.083 20 5 GIBDRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000057282392 823275494 /nfs/dbraw/zinc/27/54/94/823275494.db2.gz JLEOUSZTBXEJLZ-CYBMUJFWSA-N 0 0 395.440 4.400 20 5 GIBDRN CCc1ccc2c(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 ZINC000006012700 817640680 /nfs/dbraw/zinc/64/06/80/817640680.db2.gz VXDMLLFPTJISHW-UXBLZVDNSA-N 0 0 379.368 4.020 20 5 GIBDRN COc1ccc(-c2nc(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000006053623 817644848 /nfs/dbraw/zinc/64/48/48/817644848.db2.gz NXMGVHOAMQAISH-NYYWCZLTSA-N 0 0 396.424 4.484 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000176718273 823276136 /nfs/dbraw/zinc/27/61/36/823276136.db2.gz RJXPBWPVLCYBAY-QGZVFWFLSA-N 0 0 396.491 4.406 20 5 GIBDRN CC(C)O[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000459993315 823277142 /nfs/dbraw/zinc/27/71/42/823277142.db2.gz SJZGMMUQXHFNFR-MRXNPFEDSA-N 0 0 380.347 4.301 20 5 GIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(C(F)(F)F)cc1 ZINC000006337177 817678960 /nfs/dbraw/zinc/67/89/60/817678960.db2.gz VOVXTUDJYXOYBD-XFXZXTDPSA-N 0 0 387.317 4.268 20 5 GIBDRN Cc1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000006422915 817689328 /nfs/dbraw/zinc/68/93/28/817689328.db2.gz TZXYQLZWAMGPTG-UHFFFAOYSA-N 0 0 396.321 4.026 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000176757954 823285446 /nfs/dbraw/zinc/28/54/46/823285446.db2.gz PKMUDKCSFYMDKT-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000006496210 817698036 /nfs/dbraw/zinc/69/80/36/817698036.db2.gz GABOVPBABWZTOW-UHFFFAOYSA-N 0 0 376.368 4.057 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176739375 823281969 /nfs/dbraw/zinc/28/19/69/823281969.db2.gz GJOKVUIDQOEAPT-LLVKDONJSA-N 0 0 390.827 4.398 20 5 GIBDRN CCNc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000006561351 817705828 /nfs/dbraw/zinc/70/58/28/817705828.db2.gz XOYFRBOVDCAIMN-UHFFFAOYSA-N 0 0 399.447 4.120 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(N(C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176744882 823283035 /nfs/dbraw/zinc/28/30/35/823283035.db2.gz 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O=C(CSCc1ccc(Br)cc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000007146705 817771734 /nfs/dbraw/zinc/77/17/34/817771734.db2.gz NOTOHXOBJOHTLN-UHFFFAOYSA-N 0 0 399.241 4.368 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCSc2ccc(Cl)cc21 ZINC000176766128 823287205 /nfs/dbraw/zinc/28/72/05/823287205.db2.gz VUEDBSFGIFSQTQ-UHFFFAOYSA-N 0 0 393.808 4.299 20 5 GIBDRN CS(=O)(=O)c1ccc(N[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007187249 817785380 /nfs/dbraw/zinc/78/53/80/817785380.db2.gz WXSGKQZDYVIFGR-FQEVSTJZSA-N 0 0 396.468 4.394 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000176769639 823288823 /nfs/dbraw/zinc/28/88/23/823288823.db2.gz MIHSFCNQTQQTIR-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000176770888 823289152 /nfs/dbraw/zinc/28/91/52/823289152.db2.gz YQMJBCUOFTVEIA-LLVKDONJSA-N 0 0 386.795 4.098 20 5 GIBDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000007246687 817803279 /nfs/dbraw/zinc/80/32/79/817803279.db2.gz SRXRBHGHCZOWSQ-UHFFFAOYSA-N 0 0 389.260 4.031 20 5 GIBDRN O=[N+]([O-])c1ccc(CSc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000007252197 817804903 /nfs/dbraw/zinc/80/49/03/817804903.db2.gz MJWJOXGRRKSAKX-UHFFFAOYSA-N 0 0 391.250 4.435 20 5 GIBDRN CC(C)(C)[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000460128037 823290330 /nfs/dbraw/zinc/29/03/30/823290330.db2.gz IQFXERZKNLMMCZ-LJQANCHMSA-N 0 0 383.448 4.286 20 5 GIBDRN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000007348772 817821955 /nfs/dbraw/zinc/82/19/55/817821955.db2.gz YIERLDSWYGCAEJ-UHFFFAOYSA-N 0 0 388.420 4.170 20 5 GIBDRN CC(C)N1C(=O)C[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409721571 823290612 /nfs/dbraw/zinc/29/06/12/823290612.db2.gz RPHJNOIIAKNWLN-IUODEOHRSA-N 0 0 398.847 4.006 20 5 GIBDRN C[C@@H](OC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000007358428 817822854 /nfs/dbraw/zinc/82/28/54/817822854.db2.gz 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Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000015661235 818357049 /nfs/dbraw/zinc/35/70/49/818357049.db2.gz WSSJLWADDKOQMF-INIZCTEOSA-N 0 0 389.411 4.048 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1OC(F)F ZINC000460252761 823331391 /nfs/dbraw/zinc/33/13/91/823331391.db2.gz QUIAELRJCBMEBN-UHFFFAOYSA-N 0 0 385.754 4.214 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000015798191 818368586 /nfs/dbraw/zinc/36/85/86/818368586.db2.gz YAIJKYAJPIKWKP-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000015829227 818374324 /nfs/dbraw/zinc/37/43/24/818374324.db2.gz AYSDCNWVPKUXDG-INIZCTEOSA-N 0 0 390.823 4.243 20 5 GIBDRN CCCCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000409875314 823333096 /nfs/dbraw/zinc/33/30/96/823333096.db2.gz HQJVIUKZKJYVSJ-LBPRGKRZSA-N 0 0 378.450 4.335 20 5 GIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409892058 823337325 /nfs/dbraw/zinc/33/73/25/823337325.db2.gz KHWWXJOUNUCFOE-AWEZNQCLSA-N 0 0 377.322 4.500 20 5 GIBDRN CCc1nc(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cs1 ZINC000188954357 823333539 /nfs/dbraw/zinc/33/35/39/823333539.db2.gz AGDHMHDIVMIIND-UHFFFAOYSA-N 0 0 397.456 4.374 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000016144652 818397826 /nfs/dbraw/zinc/39/78/26/818397826.db2.gz SJDHVGZQQPERJJ-LBPRGKRZSA-N 0 0 396.852 4.123 20 5 GIBDRN CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000572406817 823334159 /nfs/dbraw/zinc/33/41/59/823334159.db2.gz QRTQCXQQKAAROS-WFTPILKQSA-N 0 0 378.388 4.029 20 5 GIBDRN CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000176957714 823334337 /nfs/dbraw/zinc/33/43/37/823334337.db2.gz GLUJVKQQNRBDAF-UHFFFAOYSA-N 0 0 378.772 4.213 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c(C)n1 ZINC000188961846 823334710 /nfs/dbraw/zinc/33/47/10/823334710.db2.gz ZSOZKNWZTPNBFP-UHFFFAOYSA-N 0 0 377.400 4.438 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000016300595 818418585 /nfs/dbraw/zinc/41/85/85/818418585.db2.gz YMAXHSCKMHZEMS-OAHLLOKOSA-N 0 0 378.450 4.179 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1Br ZINC000016360438 818429303 /nfs/dbraw/zinc/42/93/03/818429303.db2.gz RDPJMBMVLYFCLK-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000016443126 818443071 /nfs/dbraw/zinc/44/30/71/818443071.db2.gz ZZILRYAMNGKUAI-UHFFFAOYSA-N 0 0 382.247 4.362 20 5 GIBDRN C[C@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016537728 818452477 /nfs/dbraw/zinc/45/24/77/818452477.db2.gz HWADPGHPQRKUDH-ZDUSSCGKSA-N 0 0 380.356 4.039 20 5 GIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1occc1-c1ccccc1 ZINC000016537542 818452613 /nfs/dbraw/zinc/45/26/13/818452613.db2.gz FWAGVUPLTLBPTK-UHFFFAOYSA-N 0 0 391.339 4.262 20 5 GIBDRN C[C@@H](Sc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016548926 818453773 /nfs/dbraw/zinc/45/37/73/818453773.db2.gz NRMZELOCTZCUMH-SNVBAGLBSA-N 0 0 381.251 4.477 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000016643970 818462778 /nfs/dbraw/zinc/46/27/78/818462778.db2.gz NDQWZFXYFKBUBI-AWEZNQCLSA-N 0 0 396.447 4.042 20 5 GIBDRN CCc1ccc(-c2nc(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)cs2)cc1 ZINC000057836800 823339582 /nfs/dbraw/zinc/33/95/82/823339582.db2.gz QMPKHHCDTZGBFF-UHFFFAOYSA-N 0 0 393.468 4.413 20 5 GIBDRN CCOc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000016967837 818494452 /nfs/dbraw/zinc/49/44/52/818494452.db2.gz YVFPTOAQZLOBJQ-QGZVFWFLSA-N 0 0 396.447 4.387 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000017322041 818509871 /nfs/dbraw/zinc/50/98/71/818509871.db2.gz BDKFOADMBCPOKE-UHFFFAOYSA-N 0 0 393.365 4.001 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000017748565 818526707 /nfs/dbraw/zinc/52/67/07/818526707.db2.gz YHTPRDBPXFKQOG-LJQANCHMSA-N 0 0 396.443 4.069 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189018725 823342721 /nfs/dbraw/zinc/34/27/21/823342721.db2.gz WLOCWYMSVBZNDB-UHFFFAOYSA-N 0 0 390.403 4.059 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)cc1Br ZINC000572453966 823342800 /nfs/dbraw/zinc/34/28/00/823342800.db2.gz HVLTUEMIGMFSPH-UHFFFAOYSA-N 0 0 379.210 4.181 20 5 GIBDRN CC1(C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1c1ccccc1 ZINC000122322519 823337901 /nfs/dbraw/zinc/33/79/01/823337901.db2.gz JNSZVPBBJQCLBE-IBGZPJMESA-N 0 0 390.443 4.046 20 5 GIBDRN COc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F ZINC000018080889 818544209 /nfs/dbraw/zinc/54/42/09/818544209.db2.gz NAUSWMMWGGCMBN-UHFFFAOYSA-N 0 0 387.392 4.047 20 5 GIBDRN O=C1OC(c2ccc(F)cc2F)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000018137329 818549990 /nfs/dbraw/zinc/54/99/90/818549990.db2.gz URJDPRITJYKDMB-YVLHZVERSA-N 0 0 396.305 4.478 20 5 GIBDRN O=C1OC(c2ccc(F)cc2F)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000018137327 818550040 /nfs/dbraw/zinc/55/00/40/818550040.db2.gz GQFKIFSIBVCDBT-YVLHZVERSA-N 0 0 396.305 4.478 20 5 GIBDRN CCC(C)(C)C1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000018213235 818556824 /nfs/dbraw/zinc/55/68/24/818556824.db2.gz SSOKHTSNMKJLQR-UHFFFAOYSA-N 0 0 378.469 4.337 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000460304997 823346794 /nfs/dbraw/zinc/34/67/94/823346794.db2.gz KUFGLSSPANMMLH-NWDGAFQWSA-N 0 0 376.409 4.029 20 5 GIBDRN CC(C)Cc1ccc(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000019419337 818592527 /nfs/dbraw/zinc/59/25/27/818592527.db2.gz DAHRIGABMKKGAB-UHFFFAOYSA-N 0 0 395.415 4.129 20 5 GIBDRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000021045343 818649316 /nfs/dbraw/zinc/64/93/16/818649316.db2.gz OYNUUQNTMOENAF-GDBMZVCRSA-N 0 0 395.459 4.408 20 5 GIBDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000021045336 818649374 /nfs/dbraw/zinc/64/93/74/818649374.db2.gz OYNUUQNTMOENAF-HOCLYGCPSA-N 0 0 395.459 4.408 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NCCCn3ccnc3)cc2[N+](=O)[O-])cc1 ZINC000021325893 818675880 /nfs/dbraw/zinc/67/58/80/818675880.db2.gz UFSQXRHCSYELTM-UHFFFAOYSA-N 0 0 396.472 4.071 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000021353679 818679826 /nfs/dbraw/zinc/67/98/26/818679826.db2.gz HMTIJQDWWVQDSS-UHFFFAOYSA-N 0 0 395.849 4.451 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC000460317019 823351177 /nfs/dbraw/zinc/35/11/77/823351177.db2.gz LLNGGVWFGFFWSO-GOSISDBHSA-N 0 0 393.447 4.223 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)COc3cc(C)ccc3[N+](=O)[O-])c2)cs1 ZINC000021616229 818714042 /nfs/dbraw/zinc/71/40/42/818714042.db2.gz KAYVWXRKHUSGAY-UHFFFAOYSA-N 0 0 383.429 4.353 20 5 GIBDRN O=C(c1cccc(-n2cccc2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460351192 823361179 /nfs/dbraw/zinc/36/11/79/823361179.db2.gz SFWYLPGUHYTGEZ-FQEVSTJZSA-N 0 0 379.441 4.273 20 5 GIBDRN Cc1cccc2[nH]cc(CC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c21 ZINC000460351307 823361229 /nfs/dbraw/zinc/36/12/29/823361229.db2.gz AHWGYXRVWMLXRW-FQEVSTJZSA-N 0 0 381.457 4.201 20 5 GIBDRN COCCCOc1ccccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000177043926 823358081 /nfs/dbraw/zinc/35/80/81/823358081.db2.gz HJVRMUIHQJSAFO-UHFFFAOYSA-N 0 0 387.436 4.067 20 5 GIBDRN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000021692583 818727014 /nfs/dbraw/zinc/72/70/14/818727014.db2.gz YRXJHRKUFJVIKV-UHFFFAOYSA-N 0 0 388.851 4.499 20 5 GIBDRN COc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC(F)F)c1 ZINC000189107050 823358838 /nfs/dbraw/zinc/35/88/38/823358838.db2.gz MCENDSOZJXSMGI-UHFFFAOYSA-N 0 0 392.358 4.010 20 5 GIBDRN CC[C@H](C)NC(=O)[C@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767943 818735855 /nfs/dbraw/zinc/73/58/55/818735855.db2.gz ZBMPWPFMFNWGHQ-KBPBESRZSA-N 0 0 378.501 4.431 20 5 GIBDRN CCN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767976 818736303 /nfs/dbraw/zinc/73/63/03/818736303.db2.gz JANRKAVGROMQFZ-AWEZNQCLSA-N 0 0 378.501 4.385 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1ccccc1 ZINC000021905699 818753864 /nfs/dbraw/zinc/75/38/64/818753864.db2.gz ZFSQDNMQBXCEPS-LJQANCHMSA-N 0 0 376.412 4.074 20 5 GIBDRN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000021905778 818754320 /nfs/dbraw/zinc/75/43/20/818754320.db2.gz UOXFMKXERQGGHL-IBGZPJMESA-N 0 0 376.412 4.317 20 5 GIBDRN Cc1nc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000409978271 823360564 /nfs/dbraw/zinc/36/05/64/823360564.db2.gz SETLJRMAEFGKKR-UHFFFAOYSA-N 0 0 388.474 4.400 20 5 GIBDRN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)c1cccc([N+](=O)[O-])c1 ZINC000022028591 818765404 /nfs/dbraw/zinc/76/54/04/818765404.db2.gz INBQBVTVWRHVKT-ZBEGNZNMSA-N 0 0 385.401 4.344 20 5 GIBDRN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)c1cccc([N+](=O)[O-])c1 ZINC000022028599 818765493 /nfs/dbraw/zinc/76/54/93/818765493.db2.gz INBQBVTVWRHVKT-MEDUHNTESA-N 0 0 385.401 4.344 20 5 GIBDRN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177072926 823364644 /nfs/dbraw/zinc/36/46/44/823364644.db2.gz KARDFWHYKCIDCC-UHFFFAOYSA-N 0 0 386.408 4.196 20 5 GIBDRN O=C(CCSc1ccc(F)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460365392 823364749 /nfs/dbraw/zinc/36/47/49/823364749.db2.gz VGYLKCFLYAWQFF-SFHVURJKSA-N 0 0 392.477 4.490 20 5 GIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000022444422 818807868 /nfs/dbraw/zinc/80/78/68/818807868.db2.gz MRKOHEMOTSDFKI-GJZGRUSLSA-N 0 0 392.411 4.171 20 5 GIBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000022498454 818818299 /nfs/dbraw/zinc/81/82/99/818818299.db2.gz FQXWKYNJHPPNIG-JOCHJYFZSA-N 0 0 394.402 4.361 20 5 GIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000022495813 818818354 /nfs/dbraw/zinc/81/83/54/818818354.db2.gz ZJCNEDLHRUKIRG-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022500843 818818874 /nfs/dbraw/zinc/81/88/74/818818874.db2.gz IYECUXJGJSEQOA-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN CCOc1cc(F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000122527884 823367398 /nfs/dbraw/zinc/36/73/98/823367398.db2.gz AHPWOKVOMZEIAB-UHFFFAOYSA-N 0 0 397.200 4.076 20 5 GIBDRN Cn1ccnc1-c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000177080875 823366399 /nfs/dbraw/zinc/36/63/99/823366399.db2.gz TZODZZPIKMHLQQ-UHFFFAOYSA-N 0 0 379.420 4.052 20 5 GIBDRN O=C(COc1cccc2ccccc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460353443 823361710 /nfs/dbraw/zinc/36/17/10/823361710.db2.gz PTVBKOQCESYJBV-OAQYLSRUSA-N 0 0 394.452 4.401 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000022668438 818839448 /nfs/dbraw/zinc/83/94/48/818839448.db2.gz ITBGTHFSCMUFSD-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000022667996 818839482 /nfs/dbraw/zinc/83/94/82/818839482.db2.gz OLXFHTDKMSPMIU-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(C)C)c1 ZINC000122531414 823367939 /nfs/dbraw/zinc/36/79/39/823367939.db2.gz SXRBUMPQQKLILJ-UHFFFAOYSA-N 0 0 376.482 4.448 20 5 GIBDRN Cc1ccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000023050363 818892137 /nfs/dbraw/zinc/89/21/37/818892137.db2.gz NICQWPRMWPEBEI-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCCC ZINC000023132470 818902198 /nfs/dbraw/zinc/90/21/98/818902198.db2.gz XEOULPOCIIWZMF-UHFFFAOYSA-N 0 0 388.420 4.433 20 5 GIBDRN CN(Cc1ccc(Cl)s1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000023222264 818911943 /nfs/dbraw/zinc/91/19/43/818911943.db2.gz SNHDLZBBYQKDSF-UHFFFAOYSA-N 0 0 375.233 4.001 20 5 GIBDRN Cc1c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000023243957 818916900 /nfs/dbraw/zinc/91/69/00/818916900.db2.gz LEHDMZJBZNPBNI-UHFFFAOYSA-N 0 0 399.410 4.403 20 5 GIBDRN COc1ccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])c1 ZINC000023391304 818933057 /nfs/dbraw/zinc/93/30/57/818933057.db2.gz UHRBTRAJQFGWDN-UHFFFAOYSA-N 0 0 399.380 4.271 20 5 GIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023521352 818954036 /nfs/dbraw/zinc/95/40/36/818954036.db2.gz PXJGPSDHOGYKPO-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN COc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000410043321 823378230 /nfs/dbraw/zinc/37/82/30/823378230.db2.gz OWHHNCABELZIRZ-HNNXBMFYSA-N 0 0 388.489 4.331 20 5 GIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 ZINC000122597634 823379011 /nfs/dbraw/zinc/37/90/11/823379011.db2.gz VJKJFYPBBCKEQE-ZDUSSCGKSA-N 0 0 384.841 4.147 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000460407596 823379089 /nfs/dbraw/zinc/37/90/89/823379089.db2.gz AKVNDZCQWKPBDP-BTYIYWSLSA-N 0 0 395.459 4.080 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000189237629 823380056 /nfs/dbraw/zinc/38/00/56/823380056.db2.gz UHCHGVIKOLPVEZ-UHFFFAOYSA-N 0 0 385.449 4.125 20 5 GIBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000024183541 819030409 /nfs/dbraw/zinc/03/04/09/819030409.db2.gz DFSOGGXGHUAFAB-CQSZACIVSA-N 0 0 399.413 4.246 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)COc1ccccc1-c1ccccc1 ZINC000024180840 819030623 /nfs/dbraw/zinc/03/06/23/819030623.db2.gz SVCDKMJSZZDEPT-UHFFFAOYSA-N 0 0 393.395 4.393 20 5 GIBDRN Cc1nc(-c2cccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2)cs1 ZINC000122611297 823381181 /nfs/dbraw/zinc/38/11/81/823381181.db2.gz TUXVOYTZOKXITM-UHFFFAOYSA-N 0 0 379.401 4.155 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000024242046 819039007 /nfs/dbraw/zinc/03/90/07/819039007.db2.gz SAZYBYJHYLQTLE-UHFFFAOYSA-N 0 0 396.424 4.071 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000024254277 819039489 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GIBDRN CCOc1cccc2[nH]cc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c21 ZINC000189311505 823392164 /nfs/dbraw/zinc/39/21/64/823392164.db2.gz UBAGPMWWCFSEOO-UHFFFAOYSA-N 0 0 390.399 4.204 20 5 GIBDRN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177170820 823390208 /nfs/dbraw/zinc/39/02/08/823390208.db2.gz PBEGTIFPMFYSEC-UHFFFAOYSA-N 0 0 380.379 4.186 20 5 GIBDRN Cc1cccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2)c1 ZINC000058458197 823394878 /nfs/dbraw/zinc/39/48/78/823394878.db2.gz HHCKJDQFYOZUOY-UHFFFAOYSA-N 0 0 392.444 4.036 20 5 GIBDRN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000572788604 823398747 /nfs/dbraw/zinc/39/87/47/823398747.db2.gz CTXCYOIIRAZMFP-FUHWJXTLSA-N 0 0 398.459 4.372 20 5 GIBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177200420 823397548 /nfs/dbraw/zinc/39/75/48/823397548.db2.gz QBHYJAUIBNBOIW-UHFFFAOYSA-N 0 0 396.378 4.103 20 5 GIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1CC(F)(F)F ZINC000460468593 823399761 /nfs/dbraw/zinc/39/97/61/823399761.db2.gz FCMPZTKHXNPRBC-UHFFFAOYSA-N 0 0 377.322 4.293 20 5 GIBDRN COc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000572800070 823401282 /nfs/dbraw/zinc/40/12/82/823401282.db2.gz ILMXRHMTMPSSBQ-JTQLQIEISA-N 0 0 384.310 4.185 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000122727513 823401598 /nfs/dbraw/zinc/40/15/98/823401598.db2.gz YZQDMMOUQXERBT-CVEARBPZSA-N 0 0 393.447 4.210 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000410148516 823401807 /nfs/dbraw/zinc/40/18/07/823401807.db2.gz RLCDJFBRRIOQSH-NRFANRHFSA-N 0 0 387.439 4.452 20 5 GIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000460477056 823402203 /nfs/dbraw/zinc/40/22/03/823402203.db2.gz QRRVSTWKQDJQPP-GHMZBOCLSA-N 0 0 396.802 4.041 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000410150672 823402716 /nfs/dbraw/zinc/40/27/16/823402716.db2.gz 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CC(=O)N(c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)[C@@H]1C[C@H]1C ZINC000572873343 823412273 /nfs/dbraw/zinc/41/22/73/823412273.db2.gz NYFNEPWTVOOYKZ-MPBGBICISA-N 0 0 392.415 4.090 20 5 GIBDRN COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(OCCC(C)C)c1 ZINC000572885012 823413599 /nfs/dbraw/zinc/41/35/99/823413599.db2.gz GGGVJRKXRVXIEG-UHFFFAOYSA-N 0 0 398.419 4.064 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000460502572 823410151 /nfs/dbraw/zinc/41/01/51/823410151.db2.gz WOKQHWNFHLXINQ-UHFFFAOYSA-N 0 0 380.425 4.188 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(c1cccs1)c1cccs1 ZINC000572888403 823414524 /nfs/dbraw/zinc/41/45/24/823414524.db2.gz DEURMNSIEHODEA-UHFFFAOYSA-N 0 0 394.499 4.094 20 5 GIBDRN COc1cc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1SC ZINC000058601197 823414961 /nfs/dbraw/zinc/41/49/61/823414961.db2.gz YZKLGYDKNXWEQX-UHFFFAOYSA-N 0 0 375.450 4.298 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(=O)N(C)c2ccccc21 ZINC000572909524 823418147 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388.851 4.467 20 5 GIBDRN C[C@H](O)C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000177316206 823431027 /nfs/dbraw/zinc/43/10/27/823431027.db2.gz BRUISYLNAMVBPQ-XJKSGUPXSA-N 0 0 384.457 4.094 20 5 GIBDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000460556016 823431266 /nfs/dbraw/zinc/43/12/66/823431266.db2.gz GYZIVKTYDUUZJA-ZBCRRDGASA-N 0 0 380.872 4.448 20 5 GIBDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000058694459 823432943 /nfs/dbraw/zinc/43/29/43/823432943.db2.gz UWLSFNVBBJGJON-JTQLQIEISA-N 0 0 399.476 4.119 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)[C@H](CO)C(C)C ZINC000573024185 823435583 /nfs/dbraw/zinc/43/55/83/823435583.db2.gz UYIXZBTXTOUEHF-HXUWFJFHSA-N 0 0 385.464 4.208 20 5 GIBDRN COc1cc(F)c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000177334724 823437797 /nfs/dbraw/zinc/43/77/97/823437797.db2.gz QJEBQOVLBHDQKX-UHFFFAOYSA-N 0 0 379.363 4.026 20 5 GIBDRN 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GIBDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177634191 823505226 /nfs/dbraw/zinc/50/52/26/823505226.db2.gz OYHUIWRSANDRGO-QGZVFWFLSA-N 0 0 399.413 4.049 20 5 GIBDRN CCc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000177615578 823501751 /nfs/dbraw/zinc/50/17/51/823501751.db2.gz XHQIYDAFHNOSEW-UHFFFAOYSA-N 0 0 376.372 4.317 20 5 GIBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000410528500 823501922 /nfs/dbraw/zinc/50/19/22/823501922.db2.gz MHVPIZKSQWXJHL-CQSZACIVSA-N 0 0 386.370 4.177 20 5 GIBDRN C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)s1 ZINC000177644102 823506419 /nfs/dbraw/zinc/50/64/19/823506419.db2.gz FQXMPDSCFVJJTK-GFCCVEGCSA-N 0 0 394.880 4.483 20 5 GIBDRN CN(Cc1ccc(Cl)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000031482144 820816090 /nfs/dbraw/zinc/81/60/90/820816090.db2.gz WJJVDPCRYYECGD-UHFFFAOYSA-N 0 0 390.870 4.467 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(Br)c2)c1 ZINC000031553589 820825809 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Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000031721518 820850987 /nfs/dbraw/zinc/85/09/87/820850987.db2.gz CXJXVRIIXULXEL-UHFFFAOYSA-N 0 0 384.841 4.145 20 5 GIBDRN O=[N+]([O-])c1ccc(CCSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000123442540 823509586 /nfs/dbraw/zinc/50/95/86/823509586.db2.gz SHIYOTFLPLTGQW-UHFFFAOYSA-N 0 0 396.428 4.422 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460778381 823509929 /nfs/dbraw/zinc/50/99/29/823509929.db2.gz LMJWBSQSASZFPY-IAGOWNOFSA-N 0 0 394.258 4.233 20 5 GIBDRN O=C(Cn1cnc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000031804725 820862440 /nfs/dbraw/zinc/86/24/40/820862440.db2.gz KPANCMWSFGFNND-UHFFFAOYSA-N 0 0 386.820 4.274 20 5 GIBDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000410706371 823510299 /nfs/dbraw/zinc/51/02/99/823510299.db2.gz TXSODXXKGOJSDV-LBPRGKRZSA-N 0 0 398.444 4.054 20 5 GIBDRN Cc1c(C(=O)N[C@@H](CC(C)C)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000031886077 820869864 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393.399 4.138 20 5 GIBDRN CCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccs1 ZINC000036848936 821087829 /nfs/dbraw/zinc/08/78/29/821087829.db2.gz NEFHNLBEPOZPNS-UHFFFAOYSA-N 0 0 376.463 4.236 20 5 GIBDRN COc1cc(C(=O)NC(C)(C)c2ccccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000410963394 823525151 /nfs/dbraw/zinc/52/51/51/823525151.db2.gz DWQPCJXUBHEUMA-UHFFFAOYSA-N 0 0 394.374 4.178 20 5 GIBDRN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000037132782 821090580 /nfs/dbraw/zinc/09/05/80/821090580.db2.gz SWMPFDMIUKCTMQ-UHFFFAOYSA-N 0 0 376.434 4.284 20 5 GIBDRN O=[N+]([O-])c1ccc(SCc2nc(-c3ccc(Br)cn3)no2)cc1 ZINC000460835311 823525376 /nfs/dbraw/zinc/52/53/76/823525376.db2.gz JPPDZSKHECDPDC-UHFFFAOYSA-N 0 0 393.222 4.095 20 5 GIBDRN O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000038748115 821100462 /nfs/dbraw/zinc/10/04/62/821100462.db2.gz LZDOJLWGEUJTAR-UHFFFAOYSA-N 0 0 393.733 4.111 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C(CC)CC)s2)cc1OC ZINC000039518160 821109832 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CC(C)(NC(=O)Cc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000123752028 823537471 /nfs/dbraw/zinc/53/74/71/823537471.db2.gz SGNMGPALPLDIGV-UHFFFAOYSA-N 0 0 396.365 4.130 20 5 GIBDRN Cc1conc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000123761024 823538391 /nfs/dbraw/zinc/53/83/91/823538391.db2.gz VJHLLQHBHVFNTJ-UHFFFAOYSA-N 0 0 386.795 4.409 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1OC ZINC000041881526 821242163 /nfs/dbraw/zinc/24/21/63/821242163.db2.gz OLXXHGFJXNJNEJ-LBPRGKRZSA-N 0 0 390.461 4.215 20 5 GIBDRN CCOc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)c2ccccc2)cc1 ZINC000041941560 821248533 /nfs/dbraw/zinc/24/85/33/821248533.db2.gz FPXMIUXDLPXVFW-OAQYLSRUSA-N 0 0 391.427 4.216 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000411059923 823539620 /nfs/dbraw/zinc/53/96/20/823539620.db2.gz VXBCTENTDWWTFV-OAHLLOKOSA-N 0 0 391.221 4.318 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000042090755 821263519 /nfs/dbraw/zinc/26/35/19/821263519.db2.gz LQOFQCHLGHGSOS-NSHDSACASA-N 0 0 386.458 4.233 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000411071386 823541287 /nfs/dbraw/zinc/54/12/87/823541287.db2.gz IKIDDFRZBHECKP-UHFFFAOYSA-N 0 0 385.445 4.262 20 5 GIBDRN COc1ccc(CSc2nnc(-c3ccccc3Cl)n2C)cc1[N+](=O)[O-] ZINC000042112617 821267930 /nfs/dbraw/zinc/26/79/30/821267930.db2.gz GVCJTGPQMGVUOG-UHFFFAOYSA-N 0 0 390.852 4.345 20 5 GIBDRN Cc1c(CSc2nnc([C@H]3COc4ccccc4O3)o2)cccc1[N+](=O)[O-] ZINC000042153921 821275811 /nfs/dbraw/zinc/27/58/11/821275811.db2.gz GJPFVUDNBAXTDX-MRXNPFEDSA-N 0 0 385.401 4.091 20 5 GIBDRN COc1ccc(CSc2nnc(C(C)C)n2Cc2ccco2)cc1[N+](=O)[O-] ZINC000042154834 821276315 /nfs/dbraw/zinc/27/63/15/821276315.db2.gz LWEYBAAQCCAOHP-UHFFFAOYSA-N 0 0 388.449 4.252 20 5 GIBDRN COc1ccc([C@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000042184222 821280263 /nfs/dbraw/zinc/28/02/63/821280263.db2.gz BEQAVCBTUMGQQF-STQMWFEESA-N 0 0 398.419 4.074 20 5 GIBDRN Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918484 821344869 /nfs/dbraw/zinc/34/48/69/821344869.db2.gz GHDDKSZWMZRYOT-UHFFFAOYSA-N 0 0 389.314 4.412 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000042661675 821321904 /nfs/dbraw/zinc/32/19/04/821321904.db2.gz CAEAPVGDJQZBRE-UHFFFAOYSA-N 0 0 396.447 4.429 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000042684247 821324171 /nfs/dbraw/zinc/32/41/71/821324171.db2.gz RMICZJWIKCMKCY-UHFFFAOYSA-N 0 0 388.445 4.185 20 5 GIBDRN Cc1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000042730982 821327764 /nfs/dbraw/zinc/32/77/64/821327764.db2.gz WNYOLPNQVOBLRC-UHFFFAOYSA-N 0 0 396.422 4.137 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2ccccc2)no1 ZINC000042918016 821344325 /nfs/dbraw/zinc/34/43/25/821344325.db2.gz IBWNHYNVTQCIPM-UHFFFAOYSA-N 0 0 375.287 4.104 20 5 GIBDRN CCCCc1cnc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000411073985 823541650 /nfs/dbraw/zinc/54/16/50/823541650.db2.gz FYDXIVABHJVMEE-UHFFFAOYSA-N 0 0 380.857 4.112 20 5 GIBDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000043147706 821368297 /nfs/dbraw/zinc/36/82/97/821368297.db2.gz IPEHNUYGVPNBIY-CYBMUJFWSA-N 0 0 382.420 4.134 20 5 GIBDRN COc1cc(CN(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000043147579 821368408 /nfs/dbraw/zinc/36/84/08/821368408.db2.gz SSQMBJBJIKWWDQ-UHFFFAOYSA-N 0 0 395.362 4.177 20 5 GIBDRN COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000043147463 821368422 /nfs/dbraw/zinc/36/84/22/821368422.db2.gz MZBUMBUIYJEVFV-UHFFFAOYSA-N 0 0 397.431 4.039 20 5 GIBDRN COc1ccc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000043149351 821368837 /nfs/dbraw/zinc/36/88/37/821368837.db2.gz LIYWACJURNSGJP-UHFFFAOYSA-N 0 0 395.362 4.177 20 5 GIBDRN CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331303 821394009 /nfs/dbraw/zinc/39/40/09/821394009.db2.gz ONXRLJRYEQCLST-UHFFFAOYSA-N 0 0 388.605 4.268 20 5 GIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000043342250 821395606 /nfs/dbraw/zinc/39/56/06/821395606.db2.gz BZXCPWQYBDQFFF-SNVBAGLBSA-N 0 0 376.800 4.089 20 5 GIBDRN Cc1c(NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000043347735 821395882 /nfs/dbraw/zinc/39/58/82/821395882.db2.gz YXKDZDZBOFVMDP-UHFFFAOYSA-N 0 0 391.811 4.040 20 5 GIBDRN Cc1c(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000043347431 821395947 /nfs/dbraw/zinc/39/59/47/821395947.db2.gz YSZQXCBWZUHPQG-UHFFFAOYSA-N 0 0 397.353 4.304 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000180730287 821422295 /nfs/dbraw/zinc/42/22/95/821422295.db2.gz ZOHHDEPULPFQQY-UHFFFAOYSA-N 0 0 386.477 4.343 20 5 GIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1C(F)(F)F ZINC000043643596 821434965 /nfs/dbraw/zinc/43/49/65/821434965.db2.gz OVEOTBKPWQNPCG-LBPRGKRZSA-N 0 0 381.354 4.073 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1OCC(F)F ZINC000180768990 821444671 /nfs/dbraw/zinc/44/46/71/821444671.db2.gz JUPRPEWAOFHHSU-UHFFFAOYSA-N 0 0 388.729 4.212 20 5 GIBDRN CCOc1ncccc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000043727655 821447614 /nfs/dbraw/zinc/44/76/14/821447614.db2.gz DKBXTWGGSOZRJN-UHFFFAOYSA-N 0 0 377.400 4.232 20 5 GIBDRN Cc1ccccc1Cn1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21 ZINC000180816529 821477321 /nfs/dbraw/zinc/47/73/21/821477321.db2.gz GOENKOLJIVZZAQ-UHFFFAOYSA-N 0 0 376.372 4.147 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000043888644 821484376 /nfs/dbraw/zinc/48/43/76/821484376.db2.gz MPJOBYRWYMMHAP-SFHVURJKSA-N 0 0 385.420 4.384 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000180934267 821545924 /nfs/dbraw/zinc/54/59/24/821545924.db2.gz DKCXKXMQVOXXDY-UHFFFAOYSA-N 0 0 391.362 4.112 20 5 GIBDRN O=[N+]([O-])c1ccc(CSc2nncn2CCc2cccs2)c(Cl)c1 ZINC000180949035 821552369 /nfs/dbraw/zinc/55/23/69/821552369.db2.gz UZQGANCNLYVOOJ-UHFFFAOYSA-N 0 0 380.882 4.436 20 5 GIBDRN Nc1c(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000180980445 821571209 /nfs/dbraw/zinc/57/12/09/821571209.db2.gz CBARRNGXDGCASX-UHFFFAOYSA-N 0 0 393.365 4.216 20 5 GIBDRN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1csc([N+](=O)[O-])c1 ZINC000044373035 821580253 /nfs/dbraw/zinc/58/02/53/821580253.db2.gz HWPXEZYJNPDTQG-UHFFFAOYSA-N 0 0 397.243 4.460 20 5 GIBDRN COCc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000044550413 821607193 /nfs/dbraw/zinc/60/71/93/821607193.db2.gz IIDGXOQNMSVGNS-OAHLLOKOSA-N 0 0 383.448 4.230 20 5 GIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000044622399 821624542 /nfs/dbraw/zinc/62/45/42/821624542.db2.gz JRJTUOAWNUFDBF-OAHLLOKOSA-N 0 0 398.463 4.268 20 5 GIBDRN CCCN1C(=O)CCc2cc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000181105458 821635204 /nfs/dbraw/zinc/63/52/04/821635204.db2.gz LLYLXUSAKYWHPI-UHFFFAOYSA-N 0 0 392.415 4.018 20 5 GIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000044758382 821654941 /nfs/dbraw/zinc/65/49/41/821654941.db2.gz WDGLIICOSXJGIT-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000044895447 821677531 /nfs/dbraw/zinc/67/75/31/821677531.db2.gz WAOOZIYCRJPAOG-KRWDZBQOSA-N 0 0 389.839 4.032 20 5 GIBDRN Cc1cc(COC(=O)CCCc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000181279398 821731634 /nfs/dbraw/zinc/73/16/34/821731634.db2.gz IPRFIOBPGQOAJV-UHFFFAOYSA-N 0 0 381.388 4.019 20 5 GIBDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181296654 821741426 /nfs/dbraw/zinc/74/14/26/821741426.db2.gz UJNQPAHEBVAGPK-QWRGUYRKSA-N 0 0 381.354 4.118 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000181309818 821748420 /nfs/dbraw/zinc/74/84/20/821748420.db2.gz VQAYFMZJXVUYLO-UHFFFAOYSA-N 0 0 375.384 4.031 20 5 GIBDRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181311571 821749693 /nfs/dbraw/zinc/74/96/93/821749693.db2.gz QUCYHGUDXUEPSM-UHFFFAOYSA-N 0 0 382.294 4.071 20 5 GIBDRN Cc1cc2c(cc1NC(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)OCO2 ZINC000181330072 821763233 /nfs/dbraw/zinc/76/32/33/821763233.db2.gz ZWMBERXVVJCTOL-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000181381332 821796783 /nfs/dbraw/zinc/79/67/83/821796783.db2.gz VNMNBSOTIPRJCC-SNVBAGLBSA-N 0 0 383.326 4.261 20 5 GIBDRN COC[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)c(F)c1 ZINC000181438679 821827268 /nfs/dbraw/zinc/82/72/68/821827268.db2.gz AUIXJQJGULNPPE-GOSISDBHSA-N 0 0 389.358 4.005 20 5 GIBDRN CCC[C@@H]1C[C@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCO1 ZINC000181467655 821840013 /nfs/dbraw/zinc/84/00/13/821840013.db2.gz VXAZHJLOLGIJFB-ZIAGYGMSSA-N 0 0 389.477 4.276 20 5 GIBDRN CCCC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181501652 821856090 /nfs/dbraw/zinc/85/60/90/821856090.db2.gz XAZVJEAXNIOUEA-AWEZNQCLSA-N 0 0 398.506 4.412 20 5 GIBDRN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n(C)c21 ZINC000181606358 821899953 /nfs/dbraw/zinc/89/99/53/821899953.db2.gz QGRALVSMHPBKLW-UHFFFAOYSA-N 0 0 398.488 4.220 20 5 GIBDRN O=C(Nc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1)c1cccs1 ZINC000181665637 821931996 /nfs/dbraw/zinc/93/19/96/821931996.db2.gz GRDALPXYABJWQG-UHFFFAOYSA-N 0 0 384.413 4.366 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(-c2ccccc2)nc1C ZINC000181698429 821948409 /nfs/dbraw/zinc/94/84/09/821948409.db2.gz MMFMDUGUMLSZQQ-UHFFFAOYSA-N 0 0 396.472 4.131 20 5 GIBDRN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(F)cccc1Cl ZINC000181751598 821976769 /nfs/dbraw/zinc/97/67/69/821976769.db2.gz GXELPJONEKYSQY-SNVBAGLBSA-N 0 0 376.775 4.288 20 5 GIBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(F)cccc1Cl ZINC000181754178 821977675 /nfs/dbraw/zinc/97/76/75/821977675.db2.gz MKCNLWRUXZPDEN-JTQLQIEISA-N 0 0 376.775 4.288 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000181788332 821992501 /nfs/dbraw/zinc/99/25/01/821992501.db2.gz OYJUXVUDAOMGEL-CYBMUJFWSA-N 0 0 383.330 4.096 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnco2)cc1 ZINC000181809915 822002300 /nfs/dbraw/zinc/00/23/00/822002300.db2.gz BEEAGJWVFOGRSL-UHFFFAOYSA-N 0 0 390.808 4.029 20 5 GIBDRN CCc1cc(=O)c2cc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000181963397 822047386 /nfs/dbraw/zinc/04/73/86/822047386.db2.gz APRFFROGBKZYMR-UHFFFAOYSA-N 0 0 379.416 4.176 20 5 GIBDRN CCOc1ccc([C@H](C)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1[N+](=O)[O-] ZINC000181982808 822052536 /nfs/dbraw/zinc/05/25/36/822052536.db2.gz BFPCTSDHRFRLHB-AWEZNQCLSA-N 0 0 399.447 4.302 20 5 GIBDRN COc1ccc([C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000182054806 822076108 /nfs/dbraw/zinc/07/61/08/822076108.db2.gz HBCGSTQCPHUVPE-IBGZPJMESA-N 0 0 382.420 4.140 20 5 GIBDRN Cc1cc(Br)ccc1CS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182098705 822093179 /nfs/dbraw/zinc/09/31/79/822093179.db2.gz KPAXETGSSHKZMM-GFCCVEGCSA-N 0 0 398.278 4.342 20 5 GIBDRN CC(C)[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2[nH]1 ZINC000182277240 822183676 /nfs/dbraw/zinc/18/36/76/822183676.db2.gz SHQXZLMQKAZRCB-SGTLLEGYSA-N 0 0 384.411 4.227 20 5 GIBDRN CCOc1ccc(OCC)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182304450 822195376 /nfs/dbraw/zinc/19/53/76/822195376.db2.gz JPUJCSVRFRIIFK-LBPRGKRZSA-N 0 0 376.384 4.274 20 5 GIBDRN Cc1cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccc(C)cc1 ZINC000182336020 822206462 /nfs/dbraw/zinc/20/64/62/822206462.db2.gz KFCXPFLYCKJRDW-UHFFFAOYSA-N 0 0 390.403 4.059 20 5 GIBDRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OC)cc1 ZINC000182343648 822208857 /nfs/dbraw/zinc/20/88/57/822208857.db2.gz KDUWMWLPQHFQSB-AWEZNQCLSA-N 0 0 380.347 4.337 20 5 GIBDRN C[C@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1F ZINC000182383043 822223639 /nfs/dbraw/zinc/22/36/39/822223639.db2.gz LTZIKKLDQCXVRF-QFYYESIMSA-N 0 0 378.400 4.330 20 5 GIBDRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000182390022 822225519 /nfs/dbraw/zinc/22/55/19/822225519.db2.gz AYYHMILMZCHUBH-LLVKDONJSA-N 0 0 382.216 4.240 20 5 GIBDRN C[C@@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182390385 822226279 /nfs/dbraw/zinc/22/62/79/822226279.db2.gz FLUJKPNXZVSWOD-QLJPJBMISA-N 0 0 378.400 4.330 20 5 GIBDRN CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000182397417 822228666 /nfs/dbraw/zinc/22/86/66/822228666.db2.gz PLTQXLHEHHPTHG-UHFFFAOYSA-N 0 0 376.388 4.444 20 5 GIBDRN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CCOc2ccccc21 ZINC000182460221 822251338 /nfs/dbraw/zinc/25/13/38/822251338.db2.gz SGQLSMBWVFXMOS-UWJYYQICSA-N 0 0 390.395 4.189 20 5 GIBDRN Cc1ccccc1Cc1nnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000177956973 822256877 /nfs/dbraw/zinc/25/68/77/822256877.db2.gz UCAKCQZQTXBKCV-UHFFFAOYSA-N 0 0 393.321 4.475 20 5 GIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182482310 822259867 /nfs/dbraw/zinc/25/98/67/822259867.db2.gz VNTZXPLKGRDYSV-APWZRJJASA-N 0 0 397.818 4.056 20 5 GIBDRN C[C@@H](C(=O)N1CCn2cccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182531552 822285869 /nfs/dbraw/zinc/28/58/69/822285869.db2.gz WPMFABQVIHNXSV-VFNWGFHPSA-N 0 0 393.418 4.271 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)c(Cl)c1 ZINC000178045286 822297908 /nfs/dbraw/zinc/29/79/08/822297908.db2.gz LLXWVQMELMDJHV-UHFFFAOYSA-N 0 0 383.629 4.283 20 5 GIBDRN C[C@H](C(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182559928 822302460 /nfs/dbraw/zinc/30/24/60/822302460.db2.gz ZFPVDACKJMITIZ-NSHDSACASA-N 0 0 378.350 4.307 20 5 GIBDRN COc1ccc(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000182629316 822329799 /nfs/dbraw/zinc/32/97/99/822329799.db2.gz DNNAELVVZSWHIF-UHFFFAOYSA-N 0 0 380.347 4.311 20 5 GIBDRN Nc1c(C(=O)Nc2ccc(SCc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000178155188 822335969 /nfs/dbraw/zinc/33/59/69/822335969.db2.gz SRUOGZIDNGPCGI-UHFFFAOYSA-N 0 0 380.429 4.117 20 5 GIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182644078 822336713 /nfs/dbraw/zinc/33/67/13/822336713.db2.gz WKQLECQPWYXUAJ-CQSZACIVSA-N 0 0 399.422 4.021 20 5 GIBDRN Nc1c(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cccc1[N+](=O)[O-] ZINC000178183913 822345630 /nfs/dbraw/zinc/34/56/30/822345630.db2.gz YKJMYTINKXEHHG-UHFFFAOYSA-N 0 0 394.456 4.054 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)n1 ZINC000178236564 822357344 /nfs/dbraw/zinc/35/73/44/822357344.db2.gz DRXAIEPRXURFNT-UHFFFAOYSA-N 0 0 384.392 4.350 20 5 GIBDRN CCS(=O)(=O)Cc1ccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000453414589 822359738 /nfs/dbraw/zinc/35/97/38/822359738.db2.gz SWKXJLSCBHJMJG-LJQANCHMSA-N 0 0 388.489 4.364 20 5 GIBDRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000182742401 822360784 /nfs/dbraw/zinc/36/07/84/822360784.db2.gz ZKTMRAKWECDHJF-OLZOCXBDSA-N 0 0 390.411 4.040 20 5 GIBDRN CCn1c(SCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000178280179 822362772 /nfs/dbraw/zinc/36/27/72/822362772.db2.gz NDFIMAYXAMLQGQ-UHFFFAOYSA-N 0 0 376.388 4.444 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000182757821 822363228 /nfs/dbraw/zinc/36/32/28/822363228.db2.gz VXBYPRKNADPNQC-MRXNPFEDSA-N 0 0 388.292 4.225 20 5 GIBDRN Cc1c(CC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000182782032 822366742 /nfs/dbraw/zinc/36/67/42/822366742.db2.gz MGLPRUSFFHSIKS-MRXNPFEDSA-N 0 0 388.292 4.144 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nccc2sccc21 ZINC000182824942 822373569 /nfs/dbraw/zinc/37/35/69/822373569.db2.gz OAFWMXNJSDNVMM-UHFFFAOYSA-N 0 0 392.234 4.148 20 5 GIBDRN C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000045396821 822383515 /nfs/dbraw/zinc/38/35/15/822383515.db2.gz IQQFTOXTRIOEMN-SNVBAGLBSA-N 0 0 381.201 4.330 20 5 GIBDRN O=C(NCc1cccc2cccnc21)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178508380 822386270 /nfs/dbraw/zinc/38/62/70/822386270.db2.gz JBCGTWQYDUKWFM-UHFFFAOYSA-N 0 0 375.306 4.092 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc2ccccc2s1 ZINC000045416676 822386642 /nfs/dbraw/zinc/38/66/42/822386642.db2.gz XHIFSGXPYSFEAT-LBPRGKRZSA-N 0 0 387.486 4.044 20 5 GIBDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000045446825 822387980 /nfs/dbraw/zinc/38/79/80/822387980.db2.gz KPPXQJOAOWSMBI-CQSZACIVSA-N 0 0 388.851 4.454 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182900678 822389042 /nfs/dbraw/zinc/38/90/42/822389042.db2.gz MBEIHLRGSWHCMK-SUMWQHHRSA-N 0 0 388.395 4.034 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000178559466 822391798 /nfs/dbraw/zinc/39/17/98/822391798.db2.gz RUUXLKCXUCKYKG-SNVBAGLBSA-N 0 0 385.367 4.090 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cccc1[N+](=O)[O-] ZINC000178591113 822394523 /nfs/dbraw/zinc/39/45/23/822394523.db2.gz BHKAAFIWDAGLRD-UHFFFAOYSA-N 0 0 390.443 4.284 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(F)(F)F)CC1 ZINC000182928347 822394778 /nfs/dbraw/zinc/39/47/78/822394778.db2.gz DZKPQJVWXJYFMD-UHFFFAOYSA-N 0 0 382.791 4.141 20 5 GIBDRN C[C@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182932670 822395405 /nfs/dbraw/zinc/39/54/05/822395405.db2.gz ROSHYYFODMGDEN-AWEZNQCLSA-N 0 0 394.537 4.404 20 5 GIBDRN C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000045601987 822399209 /nfs/dbraw/zinc/39/92/09/822399209.db2.gz UIIFSKINPSRVGC-JTQLQIEISA-N 0 0 392.387 4.459 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000045714248 822407315 /nfs/dbraw/zinc/40/73/15/822407315.db2.gz MEWOMWANEAQERU-UHFFFAOYSA-N 0 0 383.429 4.024 20 5 GIBDRN C[C@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000182994333 822407600 /nfs/dbraw/zinc/40/76/00/822407600.db2.gz DDASIZNADVIUCR-HNNXBMFYSA-N 0 0 376.416 4.093 20 5 GIBDRN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183015981 822411811 /nfs/dbraw/zinc/41/18/11/822411811.db2.gz TYLMWBRUNVSGPR-OAHLLOKOSA-N 0 0 379.363 4.205 20 5 GIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183026771 822413644 /nfs/dbraw/zinc/41/36/44/822413644.db2.gz QAJDXROMUOIGNX-GFCCVEGCSA-N 0 0 391.374 4.071 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])C1 ZINC000045829741 822417450 /nfs/dbraw/zinc/41/74/50/822417450.db2.gz SMVIKNOXGHBBND-LBPRGKRZSA-N 0 0 375.375 4.362 20 5 GIBDRN CC(C)Oc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000453873331 822417903 /nfs/dbraw/zinc/41/79/03/822417903.db2.gz ZWDSHXMBPKQJSF-UHFFFAOYSA-N 0 0 399.447 4.257 20 5 GIBDRN CCC[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCO1 ZINC000183096708 822423958 /nfs/dbraw/zinc/42/39/58/822423958.db2.gz IEDRFBQJRPRLFH-DZGCQCFKSA-N 0 0 388.386 4.081 20 5 GIBDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000183178668 822436345 /nfs/dbraw/zinc/43/63/45/822436345.db2.gz JQFFGJZATWONHL-UHFFFAOYSA-N 0 0 390.371 4.261 20 5 GIBDRN C[C@@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000183196237 822439851 /nfs/dbraw/zinc/43/98/51/822439851.db2.gz JKKMNMKKFPHUAH-CABCVRRESA-N 0 0 379.420 4.164 20 5 GIBDRN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000183206372 822441517 /nfs/dbraw/zinc/44/15/17/822441517.db2.gz LVUBXKLTZMXATI-FZMZJTMJSA-N 0 0 392.864 4.021 20 5 GIBDRN COc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000183212338 822442484 /nfs/dbraw/zinc/44/24/84/822442484.db2.gz VYYNFDPLRMZFQP-CQSZACIVSA-N 0 0 388.729 4.290 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179166101 822446420 /nfs/dbraw/zinc/44/64/20/822446420.db2.gz FRZARUCAMXIBOG-QGZVFWFLSA-N 0 0 390.436 4.060 20 5 GIBDRN COc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000046239481 822453428 /nfs/dbraw/zinc/45/34/28/822453428.db2.gz HRNRSOWKZGTVNN-LBPRGKRZSA-N 0 0 394.518 4.392 20 5 GIBDRN Cc1cc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)s1 ZINC000179234159 822454943 /nfs/dbraw/zinc/45/49/43/822454943.db2.gz IQYZKJHFMFTFIY-RUZDIDTESA-N 0 0 376.459 4.377 20 5 GIBDRN CCOc1cc(CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OC(F)F ZINC000046268190 822457258 /nfs/dbraw/zinc/45/72/58/822457258.db2.gz RKTDEJPXOHFQJQ-UHFFFAOYSA-N 0 0 394.374 4.176 20 5 GIBDRN C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000179264576 822458906 /nfs/dbraw/zinc/45/89/06/822458906.db2.gz YMSWZEIJLMXKJV-LBPRGKRZSA-N 0 0 387.486 4.344 20 5 GIBDRN CC(C)C(=O)Nc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000046325671 822461445 /nfs/dbraw/zinc/46/14/45/822461445.db2.gz CKBXHBCFCMMZTF-UHFFFAOYSA-N 0 0 389.839 4.115 20 5 GIBDRN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCCC(C)C ZINC000046339100 822462712 /nfs/dbraw/zinc/46/27/12/822462712.db2.gz WZIWEMJCHIFXRB-ZDUSSCGKSA-N 0 0 376.409 4.112 20 5 GIBDRN COc1ccc(Oc2cc(CNC(=O)c3cc([N+](=O)[O-])c(C)s3)ccn2)cc1 ZINC000046457400 822474647 /nfs/dbraw/zinc/47/46/47/822474647.db2.gz LJFLKODPDQHGTN-UHFFFAOYSA-N 0 0 399.428 4.091 20 5 GIBDRN COc1ccc(Oc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3C)ccn2)cc1 ZINC000046457868 822474836 /nfs/dbraw/zinc/47/48/36/822474836.db2.gz JFCPIGJWARBPLS-UHFFFAOYSA-N 0 0 393.399 4.029 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1OCc1ccccc1 ZINC000046500608 822478696 /nfs/dbraw/zinc/47/86/96/822478696.db2.gz SICQMVYZSXKIDS-UHFFFAOYSA-N 0 0 376.412 4.033 20 5 GIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183464622 822478972 /nfs/dbraw/zinc/47/89/72/822478972.db2.gz SGCFSNULBQECDW-CQSZACIVSA-N 0 0 399.422 4.021 20 5 GIBDRN Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1N1CCCC1 ZINC000179412712 822479030 /nfs/dbraw/zinc/47/90/30/822479030.db2.gz PXPJBFSDIMWPOY-UHFFFAOYSA-N 0 0 378.432 4.166 20 5 GIBDRN CCOc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000046511870 822480023 /nfs/dbraw/zinc/48/00/23/822480023.db2.gz MGCIZEFFCZIYSY-GFCCVEGCSA-N 0 0 376.434 4.121 20 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O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000051379493 822758206 /nfs/dbraw/zinc/75/82/06/822758206.db2.gz PTKKOOZEDNMYRQ-GOSISDBHSA-N 0 0 395.440 4.401 20 5 GIBDRN COC(=O)[C@@](C)(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000185282410 822759132 /nfs/dbraw/zinc/75/91/32/822759132.db2.gz USFSOHKTCHFUPV-KRWDZBQOSA-N 0 0 383.231 4.080 20 5 GIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1nc(-c2ccccc2Cl)cs1 ZINC000185313397 822764124 /nfs/dbraw/zinc/76/41/24/822764124.db2.gz GWKKZBGZOUNATI-UHFFFAOYSA-N 0 0 387.804 4.328 20 5 GIBDRN CCc1nc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000051551617 822765571 /nfs/dbraw/zinc/76/55/71/822765571.db2.gz CETKKTBUAGSHQY-UHFFFAOYSA-N 0 0 375.431 4.094 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000051582252 822766291 /nfs/dbraw/zinc/76/62/91/822766291.db2.gz OPOLKZXRGMOGDG-JXFKEZNVSA-N 0 0 399.447 4.235 20 5 GIBDRN C[C@@H](Nc1cccc(Oc2ccccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174351724 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ZINC000185467411 822787654 /nfs/dbraw/zinc/78/76/54/822787654.db2.gz OWSGZNMXEHOONN-LJQANCHMSA-N 0 0 388.508 4.361 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1[N+](=O)[O-] ZINC000456219387 822788535 /nfs/dbraw/zinc/78/85/35/822788535.db2.gz PNADYAHEOAHPGZ-KRWDZBQOSA-N 0 0 378.494 4.032 20 5 GIBDRN CN1C(=O)COc2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc21 ZINC000174441130 822790153 /nfs/dbraw/zinc/79/01/53/822790153.db2.gz LPBSRJHPJYRIKM-UHFFFAOYSA-N 0 0 395.440 4.291 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2CC(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000174450701 822791373 /nfs/dbraw/zinc/79/13/73/822791373.db2.gz HOOYXECKGQWPJJ-UHFFFAOYSA-N 0 0 383.282 4.169 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000185512029 822792064 /nfs/dbraw/zinc/79/20/64/822792064.db2.gz FSHAIKNIEOKWSE-GOEBONIOSA-N 0 0 394.431 4.091 20 5 GIBDRN CC(C)[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C(C)C ZINC000456288920 822794587 /nfs/dbraw/zinc/79/45/87/822794587.db2.gz MLPRKLOBBZKVGM-CVDCTZTESA-N 0 0 376.500 4.294 20 5 GIBDRN CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C(C)C ZINC000456288922 822794595 /nfs/dbraw/zinc/79/45/95/822794595.db2.gz MLPRKLOBBZKVGM-XXBNENTESA-N 0 0 376.500 4.294 20 5 GIBDRN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000456290825 822794838 /nfs/dbraw/zinc/79/48/38/822794838.db2.gz NXMXNLGOLSZSGI-GFCCVEGCSA-N 0 0 388.367 4.183 20 5 GIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174473827 822794837 /nfs/dbraw/zinc/79/48/37/822794837.db2.gz AKSVHGAHTJGZHY-UHFFFAOYSA-N 0 0 397.479 4.069 20 5 GIBDRN CS(=O)(=O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000052332851 822796614 /nfs/dbraw/zinc/79/66/14/822796614.db2.gz YMHUWFGTTSNZLL-UHFFFAOYSA-N 0 0 397.408 4.022 20 5 GIBDRN COc1ccc(Oc2cc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)cc1 ZINC000052427180 822798828 /nfs/dbraw/zinc/79/88/28/822798828.db2.gz FETZCXNMVOECEB-UHFFFAOYSA-N 0 0 396.359 4.311 20 5 GIBDRN CC(C)(C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1[N+](=O)[O-] ZINC000456428083 822806429 /nfs/dbraw/zinc/80/64/29/822806429.db2.gz MMPZIGSODQEMAU-ZDUSSCGKSA-N 0 0 378.350 4.093 20 5 GIBDRN CSc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl ZINC000185649608 822806662 /nfs/dbraw/zinc/80/66/62/822806662.db2.gz UPRNZXQYAFDLGR-UHFFFAOYSA-N 0 0 386.882 4.388 20 5 GIBDRN COc1cc(C(=O)NCC(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174572957 822806763 /nfs/dbraw/zinc/80/67/63/822806763.db2.gz POXVJAADVMTJTL-UHFFFAOYSA-N 0 0 386.738 4.044 20 5 GIBDRN O=C(Nc1cccc(Cl)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174573569 822806961 /nfs/dbraw/zinc/80/69/61/822806961.db2.gz RKCLKRFHBYAQCE-UHFFFAOYSA-N 0 0 393.802 4.463 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000456513290 822811771 /nfs/dbraw/zinc/81/17/71/822811771.db2.gz SGSFOVDRXMSMCV-SOLBZPMBSA-N 0 0 388.489 4.262 20 5 GIBDRN O=C(NCc1ccc(C(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185705705 822812245 /nfs/dbraw/zinc/81/22/45/822812245.db2.gz QYZMMIDBQKUPOL-UHFFFAOYSA-N 0 0 375.375 4.407 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000456528176 822813302 /nfs/dbraw/zinc/81/33/02/822813302.db2.gz HNPUIAHFDHPFPW-ABAIWWIYSA-N 0 0 378.475 4.028 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000456532609 822813717 /nfs/dbraw/zinc/81/37/17/822813717.db2.gz LEMZVCDSHQOBEA-LSDHHAIUSA-N 0 0 392.864 4.021 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000456535728 822814051 /nfs/dbraw/zinc/81/40/51/822814051.db2.gz MOEAOBXYHWBDBO-OCCSQVGLSA-N 0 0 378.475 4.028 20 5 GIBDRN Cn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052933935 822816185 /nfs/dbraw/zinc/81/61/85/822816185.db2.gz HTBATEXKFVWYCQ-UHFFFAOYSA-N 0 0 390.321 4.266 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456562275 822816308 /nfs/dbraw/zinc/81/63/08/822816308.db2.gz LEPOSIUXNRFYTD-OAHLLOKOSA-N 0 0 391.221 4.318 20 5 GIBDRN Cc1nc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)sc1C ZINC000052960043 822817058 /nfs/dbraw/zinc/81/70/58/822817058.db2.gz KHQZKSLBCVIQNE-GFCCVEGCSA-N 0 0 397.460 4.489 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052958934 822817082 /nfs/dbraw/zinc/81/70/82/822817082.db2.gz JKYRSYRGCGHVPH-AWEZNQCLSA-N 0 0 380.404 4.028 20 5 GIBDRN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cc1OC ZINC000456588802 822818413 /nfs/dbraw/zinc/81/84/13/822818413.db2.gz XHUMCWOPIDJGHM-UHFFFAOYSA-N 0 0 390.461 4.157 20 5 GIBDRN CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc21 ZINC000456616710 822819666 /nfs/dbraw/zinc/81/96/66/822819666.db2.gz YIOIIHHFYSVTCE-MRXNPFEDSA-N 0 0 393.365 4.315 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)NC2(C3(C)CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000456635799 822820192 /nfs/dbraw/zinc/82/01/92/822820192.db2.gz ACGZCAMLRDMVJP-CQSZACIVSA-N 0 0 380.448 4.225 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccccc2C(F)(F)F)c1 ZINC000053235006 822827255 /nfs/dbraw/zinc/82/72/55/822827255.db2.gz VOHFDBITXXAINU-UHFFFAOYSA-N 0 0 384.379 4.308 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1Br ZINC000053334586 822830777 /nfs/dbraw/zinc/83/07/77/822830777.db2.gz VBRIKSPNQIYNQH-UHFFFAOYSA-N 0 0 383.629 4.283 20 5 GIBDRN COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000456789800 822831286 /nfs/dbraw/zinc/83/12/86/822831286.db2.gz ZUQCEANOLUOQBR-DLBZAZTESA-N 0 0 398.459 4.316 20 5 GIBDRN COc1cc(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000456789803 822831292 /nfs/dbraw/zinc/83/12/92/822831292.db2.gz ZUQCEANOLUOQBR-SJORKVTESA-N 0 0 398.459 4.316 20 5 GIBDRN COc1ccccc1C1(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000185916307 822833043 /nfs/dbraw/zinc/83/30/43/822833043.db2.gz UYRNFEZZVUYKLI-CQSZACIVSA-N 0 0 386.423 4.084 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000053425368 822834609 /nfs/dbraw/zinc/83/46/09/822834609.db2.gz ANEMTKCZMYXDSR-ZDUSSCGKSA-N 0 0 397.456 4.283 20 5 GIBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)COc2cccnc2[N+](=O)[O-])cc1 ZINC000053443322 822835180 /nfs/dbraw/zinc/83/51/80/822835180.db2.gz BUDCEAQIUITSQW-KRWDZBQOSA-N 0 0 383.448 4.030 20 5 GIBDRN C[C@@H](Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000053454000 822835538 /nfs/dbraw/zinc/83/55/38/822835538.db2.gz SKAZVSDVXGRCJB-AWEZNQCLSA-N 0 0 385.445 4.495 20 5 GIBDRN Cc1ccsc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053460815 822835981 /nfs/dbraw/zinc/83/59/81/822835981.db2.gz YQMYKURKECZDMP-AWEZNQCLSA-N 0 0 396.472 4.463 20 5 GIBDRN Cc1cc2cc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000053463885 822836152 /nfs/dbraw/zinc/83/61/52/822836152.db2.gz CKRFIPAGLZDTOZ-UHFFFAOYSA-N 0 0 375.388 4.037 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000456837078 822836862 /nfs/dbraw/zinc/83/68/62/822836862.db2.gz MLVUFJDXRPHUKC-GOSISDBHSA-N 0 0 380.535 4.456 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185961380 822837893 /nfs/dbraw/zinc/83/78/93/822837893.db2.gz MGZAYLGSHBVKLM-MRXNPFEDSA-N 0 0 381.215 4.115 20 5 GIBDRN CCc1cnc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000185967930 822838995 /nfs/dbraw/zinc/83/89/95/822838995.db2.gz PFUIOXUCCVUXHZ-UHFFFAOYSA-N 0 0 391.371 4.176 20 5 GIBDRN O=C(c1ccc2ccccc2c1O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174807463 822840101 /nfs/dbraw/zinc/84/01/01/822840101.db2.gz CDWNSUZCSIABHX-UHFFFAOYSA-N 0 0 392.411 4.137 20 5 GIBDRN CNC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000053572091 822841282 /nfs/dbraw/zinc/84/12/82/822841282.db2.gz YQDIIPWUYOCQFN-FQEVSTJZSA-N 0 0 379.391 4.295 20 5 GIBDRN CNC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000053572093 822841332 /nfs/dbraw/zinc/84/13/32/822841332.db2.gz YQDIIPWUYOCQFN-HXUWFJFHSA-N 0 0 379.391 4.295 20 5 GIBDRN Cc1noc(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000053576682 822841532 /nfs/dbraw/zinc/84/15/32/822841532.db2.gz ZFIFIKCLPRCDIT-UHFFFAOYSA-N 0 0 390.749 4.342 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053584395 822841796 /nfs/dbraw/zinc/84/17/96/822841796.db2.gz BROOFGUARVTCFQ-NSHDSACASA-N 0 0 382.445 4.299 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)c1 ZINC000456923003 822841908 /nfs/dbraw/zinc/84/19/08/822841908.db2.gz MYTCDWFADFQXIB-WKILWMFISA-N 0 0 391.427 4.170 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ncc(-c3ccccc3)cn2)c(Br)c1 ZINC000185995395 822842107 /nfs/dbraw/zinc/84/21/07/822842107.db2.gz DMENEQKSTLSRGJ-UHFFFAOYSA-N 0 0 385.221 4.426 20 5 GIBDRN COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186006206 822843196 /nfs/dbraw/zinc/84/31/96/822843196.db2.gz FEWUMWPCYXSRPH-QGZVFWFLSA-N 0 0 389.839 4.304 20 5 GIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186019340 822844174 /nfs/dbraw/zinc/84/41/74/822844174.db2.gz VTBPMUKSYIPVDP-UHFFFAOYSA-N 0 0 399.781 4.191 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCC2CCCC2)CC1 ZINC000186017469 822844210 /nfs/dbraw/zinc/84/42/10/822844210.db2.gz DXCUOVURJQCUPD-UHFFFAOYSA-N 0 0 395.887 4.129 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000186026432 822844859 /nfs/dbraw/zinc/84/48/59/822844859.db2.gz DVTKMQIITSNVNR-UHFFFAOYSA-N 0 0 386.351 4.145 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053761237 822847366 /nfs/dbraw/zinc/84/73/66/822847366.db2.gz SLNWUKVLOUMKPM-LSDHHAIUSA-N 0 0 391.431 4.049 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccccc2O)cc1[N+](=O)[O-])c1ccccn1 ZINC000053791307 822848048 /nfs/dbraw/zinc/84/80/48/822848048.db2.gz BDZVITRRQKBKPP-ZDUSSCGKSA-N 0 0 378.388 4.121 20 5 GIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053798783 822848498 /nfs/dbraw/zinc/84/84/98/822848498.db2.gz WYWIGCPRSFJXJP-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000053815214 822849283 /nfs/dbraw/zinc/84/92/83/822849283.db2.gz IMLSNHFRNJVGPY-CQSZACIVSA-N 0 0 392.415 4.201 20 5 GIBDRN O=C(c1ccc(F)c(Cl)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186077413 822849743 /nfs/dbraw/zinc/84/97/43/822849743.db2.gz WXDZZMWRSFCTRO-UHFFFAOYSA-N 0 0 396.777 4.210 20 5 GIBDRN CSCc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000186084899 822850288 /nfs/dbraw/zinc/85/02/88/822850288.db2.gz IGKKSENJSKEEHQ-UHFFFAOYSA-N 0 0 385.489 4.313 20 5 GIBDRN CC(C)c1n[nH]c(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000457096363 822852979 /nfs/dbraw/zinc/85/29/79/822852979.db2.gz TWUIRDFFYNFAEF-OCCSQVGLSA-N 0 0 376.844 4.161 20 5 GIBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053988107 822855686 /nfs/dbraw/zinc/85/56/86/822855686.db2.gz WGGDCVNNESNCBK-UHFFFAOYSA-N 0 0 385.807 4.409 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000054005436 822856881 /nfs/dbraw/zinc/85/68/81/822856881.db2.gz OTSPMPOWXSXGMA-SFHVURJKSA-N 0 0 399.447 4.416 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000186182480 822858805 /nfs/dbraw/zinc/85/88/05/822858805.db2.gz RZSHPHRNVWRSIE-KRWDZBQOSA-N 0 0 392.864 4.184 20 5 GIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054038393 822860441 /nfs/dbraw/zinc/86/04/41/822860441.db2.gz PALSQMAWLWWLSO-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000457213250 822860959 /nfs/dbraw/zinc/86/09/59/822860959.db2.gz OMIWLZLXLMZIHZ-AWEZNQCLSA-N 0 0 380.510 4.422 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCN(C)c1ccccc1 ZINC000054167441 822865013 /nfs/dbraw/zinc/86/50/13/822865013.db2.gz YRVLBWWCZSGXEF-MRXNPFEDSA-N 0 0 387.505 4.108 20 5 GIBDRN CSc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000186280756 822869757 /nfs/dbraw/zinc/86/97/57/822869757.db2.gz KJTOJTSQQHGSOR-HNAYVOBHSA-N 0 0 386.473 4.214 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457363176 822870391 /nfs/dbraw/zinc/87/03/91/822870391.db2.gz LRWDUMROGHYHGO-SFHVURJKSA-N 0 0 398.850 4.421 20 5 GIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)C1 ZINC000054277893 822872709 /nfs/dbraw/zinc/87/27/09/822872709.db2.gz ALBPACQDQGIRBN-LBPRGKRZSA-N 0 0 399.476 4.017 20 5 GIBDRN O=C(CCc1ccc(OC(F)F)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186310626 822874459 /nfs/dbraw/zinc/87/44/59/822874459.db2.gz YDKVBYQHOJSQIL-UHFFFAOYSA-N 0 0 384.766 4.099 20 5 GIBDRN C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2c(O)cccc21 ZINC000186324010 822876086 /nfs/dbraw/zinc/87/60/86/822876086.db2.gz UKBFOLGMHMOWOS-AWEZNQCLSA-N 0 0 381.432 4.055 20 5 GIBDRN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000186340506 822878382 /nfs/dbraw/zinc/87/83/82/822878382.db2.gz OPADRFDXORQCRJ-HNNXBMFYSA-N 0 0 387.505 4.350 20 5 GIBDRN Cc1nc(-c2ccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000054386129 822880494 /nfs/dbraw/zinc/88/04/94/822880494.db2.gz BDWSCHHKRHBISZ-UHFFFAOYSA-N 0 0 382.445 4.391 20 5 GIBDRN CN(C)c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000054409337 822882947 /nfs/dbraw/zinc/88/29/47/822882947.db2.gz BUNLPJWRKNHCJR-UHFFFAOYSA-N 0 0 396.369 4.044 20 5 GIBDRN O=C1c2ccccc2N[C@H](c2csc([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 ZINC000054424503 822883678 /nfs/dbraw/zinc/88/36/78/822883678.db2.gz GTFYDESTSVXNLG-SFHVURJKSA-N 0 0 395.396 4.156 20 5 GIBDRN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000175108768 822883648 /nfs/dbraw/zinc/88/36/48/822883648.db2.gz CMQBPMCRDLIKHJ-LLVKDONJSA-N 0 0 382.338 4.455 20 5 GIBDRN COc1ccc([C@H](C)N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000175108748 822883740 /nfs/dbraw/zinc/88/37/40/822883740.db2.gz CMQBPMCRDLIKHJ-NSHDSACASA-N 0 0 382.338 4.455 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(CCSCc3ccccc3)n2)c1 ZINC000569153765 822884784 /nfs/dbraw/zinc/88/47/84/822884784.db2.gz OUFJFPFVTGVARL-UHFFFAOYSA-N 0 0 385.445 4.053 20 5 GIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1csc([N+](=O)[O-])c1 ZINC000054443335 822886401 /nfs/dbraw/zinc/88/64/01/822886401.db2.gz MBZATIKXTUOTAE-UHFFFAOYSA-N 0 0 396.881 4.310 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1SCCc2ccccc21 ZINC000175128473 822888195 /nfs/dbraw/zinc/88/81/95/822888195.db2.gz KUBQEDQUNOZVTP-HNNXBMFYSA-N 0 0 380.372 4.165 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1SCCc2sccc21 ZINC000175128256 822888286 /nfs/dbraw/zinc/88/82/86/822888286.db2.gz SMZGCQDAHKYJNG-CYBMUJFWSA-N 0 0 386.401 4.227 20 5 GIBDRN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2)cc1 ZINC000054497308 822890810 /nfs/dbraw/zinc/89/08/10/822890810.db2.gz VVQMOGXYEURGJR-HXUWFJFHSA-N 0 0 380.375 4.262 20 5 GIBDRN COCCOc1cc(C)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175148244 822892085 /nfs/dbraw/zinc/89/20/85/822892085.db2.gz JFWMOZZDCYPSNR-UHFFFAOYSA-N 0 0 398.337 4.200 20 5 GIBDRN Cc1sc(NC(=O)CC[C@@H]2CC[C@H](C)O2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000175150092 822892513 /nfs/dbraw/zinc/89/25/13/822892513.db2.gz ANUPICCKSIFOBJ-NHYWBVRUSA-N 0 0 375.450 4.313 20 5 GIBDRN CCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000186432964 822894337 /nfs/dbraw/zinc/89/43/37/822894337.db2.gz ZQATUSHQOKMPHP-UHFFFAOYSA-N 0 0 396.266 4.141 20 5 GIBDRN Cc1ncccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000175195523 822901717 /nfs/dbraw/zinc/90/17/17/822901717.db2.gz PFHJYZRGHJWFNY-AWEZNQCLSA-N 0 0 377.404 4.119 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccnc2C)cc1 ZINC000175199909 822902525 /nfs/dbraw/zinc/90/25/25/822902525.db2.gz BGUWCENWWREOHI-UHFFFAOYSA-N 0 0 379.372 4.351 20 5 GIBDRN CSc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000186513461 822906857 /nfs/dbraw/zinc/90/68/57/822906857.db2.gz HIRFCKKNPZEYTE-UHFFFAOYSA-N 0 0 390.436 4.139 20 5 GIBDRN CSc1cccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000186513299 822906905 /nfs/dbraw/zinc/90/69/05/822906905.db2.gz MXMWMEINDSKIFT-INIZCTEOSA-N 0 0 385.489 4.058 20 5 GIBDRN C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000569330572 822908611 /nfs/dbraw/zinc/90/86/11/822908611.db2.gz OWYABTLAMPPTCE-YVEFUNNKSA-N 0 0 375.375 4.037 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@]4(CCSC4)C3)o2)c(Cl)c1 ZINC000569342209 822909734 /nfs/dbraw/zinc/90/97/34/822909734.db2.gz ZIUHYBRWTFRXRV-SFHVURJKSA-N 0 0 394.880 4.216 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000054754987 822910429 /nfs/dbraw/zinc/91/04/29/822910429.db2.gz OEFDVVBULCIXGK-SNVBAGLBSA-N 0 0 396.216 4.057 20 5 GIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1c(F)cccc1F ZINC000569355778 822910806 /nfs/dbraw/zinc/91/08/06/822910806.db2.gz YKGAUJJKRGMRAT-LLVKDONJSA-N 0 0 381.354 4.022 20 5 GIBDRN C[C@@H](C(=O)Nc1nc2cccc(Cl)c2n1C)c1ccc([N+](=O)[O-])cc1F ZINC000186564552 822914049 /nfs/dbraw/zinc/91/40/49/822914049.db2.gz WNXWKXFDRZWZGT-SECBINFHSA-N 0 0 376.775 4.016 20 5 GIBDRN Cc1cnc(-c2cccc(N[C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)c2)o1 ZINC000569391113 822915376 /nfs/dbraw/zinc/91/53/76/822915376.db2.gz JDEIRJFBQQIMND-LJQANCHMSA-N 0 0 389.415 4.493 20 5 GIBDRN CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000457769248 822917155 /nfs/dbraw/zinc/91/71/55/822917155.db2.gz UHXGTWMFLQVKDB-UHFFFAOYSA-N 0 0 386.839 4.010 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(c3nccc4sccc43)CC2)c2ncccc12 ZINC000569404562 822917845 /nfs/dbraw/zinc/91/78/45/822917845.db2.gz ZBNILVVCKWHCPN-UHFFFAOYSA-N 0 0 391.456 4.079 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000569420137 822920780 /nfs/dbraw/zinc/92/07/80/822920780.db2.gz BFLKBRCHQGAVRA-VLIAUNLRSA-N 0 0 379.391 4.138 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1[N+](=O)[O-] ZINC000186627645 822925783 /nfs/dbraw/zinc/92/57/83/822925783.db2.gz VORNFNWXNYRUKG-LLVKDONJSA-N 0 0 390.465 4.238 20 5 GIBDRN C[C@H](NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000457859723 822926142 /nfs/dbraw/zinc/92/61/42/822926142.db2.gz 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ZINC000175388750 822955553 /nfs/dbraw/zinc/95/55/53/822955553.db2.gz UDLKCTRKPRDVPI-UHFFFAOYSA-N 0 0 397.431 4.375 20 5 GIBDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000458088625 822957114 /nfs/dbraw/zinc/95/71/14/822957114.db2.gz DBJTYXVMCUTXDQ-UQIDSAAFSA-N 0 0 382.464 4.327 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458104620 822958820 /nfs/dbraw/zinc/95/88/20/822958820.db2.gz WTGDLDWHBJOTID-TZIWHRDSSA-N 0 0 390.443 4.189 20 5 GIBDRN O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175402561 822960240 /nfs/dbraw/zinc/96/02/40/822960240.db2.gz DNHVJVIPYOWYHD-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000055456559 822965753 /nfs/dbraw/zinc/96/57/53/822965753.db2.gz FZWGACKBJQJNEC-MEDUHNTESA-N 0 0 392.864 4.369 20 5 GIBDRN C[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055466688 822967050 /nfs/dbraw/zinc/96/70/50/822967050.db2.gz OCLYTIJRJJLLQI-CQSZACIVSA-N 0 0 399.447 4.362 20 5 GIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000055484411 822968978 /nfs/dbraw/zinc/96/89/78/822968978.db2.gz XXCOTZYGPOJPHT-LJQANCHMSA-N 0 0 390.443 4.018 20 5 GIBDRN CC(C)(NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000175450140 822971809 /nfs/dbraw/zinc/97/18/09/822971809.db2.gz SQUSLMJTFZYDMS-XLIONFOSSA-N 0 0 397.475 4.297 20 5 GIBDRN CC(C)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1F ZINC000186883766 822974403 /nfs/dbraw/zinc/97/44/03/822974403.db2.gz FQNHUNLPSZMJAI-UHFFFAOYSA-N 0 0 390.802 4.462 20 5 GIBDRN CCOc1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000175466161 822976040 /nfs/dbraw/zinc/97/60/40/822976040.db2.gz OPOKRLWVJYTLIL-XJKSGUPXSA-N 0 0 388.420 4.209 20 5 GIBDRN Cc1ccccc1C[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000055557590 822978513 /nfs/dbraw/zinc/97/85/13/822978513.db2.gz PIXKXFLDEKLXCH-ZDUSSCGKSA-N 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ZINC000175533012 822992385 /nfs/dbraw/zinc/99/23/85/822992385.db2.gz VTSIJCYRXHYPLM-UHFFFAOYSA-N 0 0 383.173 4.147 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(OCc2ccccn2)c1 ZINC000055648109 822992430 /nfs/dbraw/zinc/99/24/30/822992430.db2.gz KGXDXZPRJDMZDZ-AWEZNQCLSA-N 0 0 395.390 4.199 20 5 GIBDRN CC(C)(NC(=O)NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000175541681 822993684 /nfs/dbraw/zinc/99/36/84/822993684.db2.gz SVMCQKQKRNVYBG-UHFFFAOYSA-N 0 0 396.472 4.453 20 5 GIBDRN COc1ccc([C@H](C)N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000175563110 822998414 /nfs/dbraw/zinc/99/84/14/822998414.db2.gz POJMCGRWVOWVKT-NSHDSACASA-N 0 0 393.237 4.199 20 5 GIBDRN C[C@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000175593333 823003653 /nfs/dbraw/zinc/00/36/53/823003653.db2.gz QYPFFUILFCEXAS-AWEZNQCLSA-N 0 0 396.472 4.321 20 5 GIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000187048481 823003753 /nfs/dbraw/zinc/00/37/53/823003753.db2.gz 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C[C@H](c1ccco1)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000175683978 823019813 /nfs/dbraw/zinc/01/98/13/823019813.db2.gz CJFKWYSFTZRMTR-SNVBAGLBSA-N 0 0 379.210 4.316 20 5 GIBDRN Cn1cc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000187196731 823023823 /nfs/dbraw/zinc/02/38/23/823023823.db2.gz SQFKLRBKXOEIRU-UHFFFAOYSA-N 0 0 392.242 4.366 20 5 GIBDRN COC1(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCCCC1 ZINC000570315873 823025077 /nfs/dbraw/zinc/02/50/77/823025077.db2.gz IHXOTVKYWFDYAW-UHFFFAOYSA-N 0 0 396.241 4.137 20 5 GIBDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000175726203 823027673 /nfs/dbraw/zinc/02/76/73/823027673.db2.gz JIWMVNGBPVUROX-VQIMIIECSA-N 0 0 379.460 4.213 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2ncn(Cc3csc(CCc4ccccc4)n3)n2)cc1 ZINC000175745360 823030861 /nfs/dbraw/zinc/03/08/61/823030861.db2.gz YMPJOIVAIYSARI-UHFFFAOYSA-N 0 0 391.456 4.143 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1-n1cccn1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175755734 823032504 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382.445 4.148 20 5 GIBDRN Cc1c(NC(=O)N(C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000062247251 823626079 /nfs/dbraw/zinc/62/60/79/823626079.db2.gz VMFZRWSSYVXNPI-UHFFFAOYSA-N 0 0 384.255 4.391 20 5 GIBDRN Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000412128350 823628360 /nfs/dbraw/zinc/62/83/60/823628360.db2.gz IWZKVFYLLGKIBP-LEWJYISDSA-N 0 0 380.444 4.077 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccnc(C)c3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000124829372 823629406 /nfs/dbraw/zinc/62/94/06/823629406.db2.gz QJKUIIYHCOIKKT-UHFFFAOYSA-N 0 0 399.838 4.066 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)cc2)o1 ZINC000412149429 823630550 /nfs/dbraw/zinc/63/05/50/823630550.db2.gz JNFDDLFFXIMZBA-UHFFFAOYSA-N 0 0 396.403 4.247 20 5 GIBDRN O=C(C(c1ccccc1)c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461410658 823631063 /nfs/dbraw/zinc/63/10/63/823631063.db2.gz ITKLJPSNSKYDEB-UHFFFAOYSA-N 0 0 388.423 4.148 20 5 GIBDRN 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COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2OC)cc1 ZINC000163574209 823723633 /nfs/dbraw/zinc/72/36/33/823723633.db2.gz VEGRNHARLVZZNX-LJQANCHMSA-N 0 0 398.440 4.193 20 5 GIBDRN CC(C)(CO)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000413201190 823726689 /nfs/dbraw/zinc/72/66/89/823726689.db2.gz LBTGFQORDCVTJW-HNNXBMFYSA-N 0 0 383.370 4.223 20 5 GIBDRN COc1ccccc1COC1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413218652 823730980 /nfs/dbraw/zinc/73/09/80/823730980.db2.gz JDFBLBCRMGMXNU-UHFFFAOYSA-N 0 0 393.443 4.337 20 5 GIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000413232849 823734802 /nfs/dbraw/zinc/73/48/02/823734802.db2.gz HJMYVLUQEHPPSI-ZOCIIQOWSA-N 0 0 395.459 4.174 20 5 GIBDRN CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000191709836 823743075 /nfs/dbraw/zinc/74/30/75/823743075.db2.gz XLSYMTQUZJVRFH-UHFFFAOYSA-N 0 0 382.464 4.031 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)nc2ccccc21 ZINC000125935650 823748518 /nfs/dbraw/zinc/74/85/18/823748518.db2.gz BMVGJKBRWRAKHP-UHFFFAOYSA-N 0 0 397.456 4.442 20 5 GIBDRN C[C@H](COCC(F)(F)F)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000064114666 823748589 /nfs/dbraw/zinc/74/85/89/823748589.db2.gz CBHRYWLSURCUIN-GFCCVEGCSA-N 0 0 382.338 4.205 20 5 GIBDRN CCOc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000064127231 823751490 /nfs/dbraw/zinc/75/14/90/823751490.db2.gz VBBBGFAFGANIST-UHFFFAOYSA-N 0 0 379.210 4.317 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000461916882 823752786 /nfs/dbraw/zinc/75/27/86/823752786.db2.gz ADIATTPTANPDDG-NWDGAFQWSA-N 0 0 377.238 4.338 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000163876674 823755895 /nfs/dbraw/zinc/75/58/95/823755895.db2.gz BZISQDVYFAPHMY-UHFFFAOYSA-N 0 0 387.417 4.030 20 5 GIBDRN CCOC(=O)c1cc(N[C@@H]2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000413359013 823759110 /nfs/dbraw/zinc/75/91/10/823759110.db2.gz WYMUTYIDSPNPPU-CZUORRHYSA-N 0 0 376.434 4.165 20 5 GIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000125984027 823759375 /nfs/dbraw/zinc/75/93/75/823759375.db2.gz DJZXESVQSICGMJ-IAGOWNOFSA-N 0 0 378.350 4.076 20 5 GIBDRN COc1cccc(N2CCC[C@@H]2c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000413363291 823760366 /nfs/dbraw/zinc/76/03/66/823760366.db2.gz BADPGGZBMCUMIF-CYBMUJFWSA-N 0 0 378.226 4.102 20 5 GIBDRN CC(=O)c1ccc(Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c([N+](=O)[O-])c1 ZINC000413377709 823763113 /nfs/dbraw/zinc/76/31/13/823763113.db2.gz XSOLNLDMCCJZON-UHFFFAOYSA-N 0 0 379.338 4.419 20 5 GIBDRN Cc1cc(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936477 823765291 /nfs/dbraw/zinc/76/52/91/823765291.db2.gz RGFGLWRLUWXBFM-GFCCVEGCSA-N 0 0 395.385 4.302 20 5 GIBDRN Cc1cc(NCc2cn(C)nc2C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461947714 823768115 /nfs/dbraw/zinc/76/81/15/823768115.db2.gz QGQYVEHWCBJXJR-UHFFFAOYSA-N 0 0 382.264 4.286 20 5 GIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000126022963 823768471 /nfs/dbraw/zinc/76/84/71/823768471.db2.gz DDYAJYJTBRCKBF-CVEARBPZSA-N 0 0 378.350 4.076 20 5 GIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000126023162 823768768 /nfs/dbraw/zinc/76/87/68/823768768.db2.gz DDYAJYJTBRCKBF-JKSUJKDBSA-N 0 0 378.350 4.076 20 5 GIBDRN Cc1cc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461956315 823770972 /nfs/dbraw/zinc/77/09/72/823770972.db2.gz IBNCLGOOGNEGBU-IAQYHMDHSA-N 0 0 376.400 4.389 20 5 GIBDRN Cc1cc(N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(F)cc1[N+](=O)[O-] ZINC000461972779 823777688 /nfs/dbraw/zinc/77/76/88/823777688.db2.gz KRTTYBCKGYGQPT-LBPRGKRZSA-N 0 0 391.830 4.409 20 5 GIBDRN O=C([C@@H]1C[C@]1(F)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000413437891 823777720 /nfs/dbraw/zinc/77/77/20/823777720.db2.gz OPSPXZLYUPZVDR-YJBOKZPZSA-N 0 0 396.340 4.371 20 5 GIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245235 823780371 /nfs/dbraw/zinc/78/03/71/823780371.db2.gz WJIZZKYXVVPWLO-MRVPVSSYSA-N 0 0 395.289 4.345 20 5 GIBDRN O=[N+]([O-])c1cnc2ccc(N3CCC(c4cccc(Cl)c4Cl)CC3)nn21 ZINC000461980096 823780730 /nfs/dbraw/zinc/78/07/30/823780730.db2.gz BLHREQFSMBGVJT-UHFFFAOYSA-N 0 0 392.246 4.328 20 5 GIBDRN Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000413455807 823781131 /nfs/dbraw/zinc/78/11/31/823781131.db2.gz JNOVOXLRLFHROF-ZCNNSNEGSA-N 0 0 382.485 4.323 20 5 GIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000164149825 823781648 /nfs/dbraw/zinc/78/16/48/823781648.db2.gz UNNYOCFZMZGMKV-INIZCTEOSA-N 0 0 397.475 4.020 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000191823432 823783994 /nfs/dbraw/zinc/78/39/94/823783994.db2.gz GOUZNFZCQXRHKU-UHFFFAOYSA-N 0 0 385.807 4.204 20 5 GIBDRN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126093439 823785300 /nfs/dbraw/zinc/78/53/00/823785300.db2.gz BZRWQGFRSLUJBD-UHFFFAOYSA-N 0 0 382.376 4.362 20 5 GIBDRN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413482217 823785508 /nfs/dbraw/zinc/78/55/08/823785508.db2.gz YLQYQNODCHVHNZ-JSXRDJHFSA-N 0 0 396.443 4.019 20 5 GIBDRN CCOC(=O)c1c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])sc(C)c1CC ZINC000126098208 823787050 /nfs/dbraw/zinc/78/70/50/823787050.db2.gz MINJYJOBGDKBLC-UHFFFAOYSA-N 0 0 380.397 4.095 20 5 GIBDRN Cc1cc(NCc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000413511015 823789890 /nfs/dbraw/zinc/78/98/90/823789890.db2.gz IGPIOKCBOXRJHE-UHFFFAOYSA-N 0 0 380.248 4.343 20 5 GIBDRN CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1nc(C)cs1 ZINC000413515312 823790127 /nfs/dbraw/zinc/79/01/27/823790127.db2.gz MWPRFJURDFESTQ-SFHVURJKSA-N 0 0 377.466 4.202 20 5 GIBDRN Cc1nc([N+](=O)[O-])c(Br)n1CCOc1ccc(Cl)cc1Cl ZINC000064332429 823795068 /nfs/dbraw/zinc/79/50/68/823795068.db2.gz GBBOUOITKGKLBP-UHFFFAOYSA-N 0 0 395.040 4.248 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000413611695 823803470 /nfs/dbraw/zinc/80/34/70/823803470.db2.gz SPOUNXMETWUJRU-GOSISDBHSA-N 0 0 396.443 4.260 20 5 GIBDRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191926432 823813320 /nfs/dbraw/zinc/81/33/20/823813320.db2.gz RMWOPDSORCXWRD-UHFFFAOYSA-N 0 0 396.161 4.135 20 5 GIBDRN CC(C)Oc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000413677274 823815563 /nfs/dbraw/zinc/81/55/63/823815563.db2.gz QBOCSSNNVJVUFA-UHFFFAOYSA-N 0 0 398.337 4.417 20 5 GIBDRN CN(Cc1cccc(O)c1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000574741757 823815864 /nfs/dbraw/zinc/81/58/64/823815864.db2.gz UQBPJYAKLIYYNY-UHFFFAOYSA-N 0 0 392.411 4.152 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064423946 823817213 /nfs/dbraw/zinc/81/72/13/823817213.db2.gz RAUVUFAGAKHOTN-UHFFFAOYSA-N 0 0 396.374 4.330 20 5 GIBDRN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000574755814 823819368 /nfs/dbraw/zinc/81/93/68/823819368.db2.gz NSVOPBRCBCHDPS-KRWDZBQOSA-N 0 0 383.448 4.007 20 5 GIBDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC000413713984 823824164 /nfs/dbraw/zinc/82/41/64/823824164.db2.gz JVMHYBROQMQISO-RINLGRHXSA-N 0 0 380.444 4.241 20 5 GIBDRN Cc1nn(CCC(=O)Nc2c3ccccc3nc(C)c2C(C)C)c(C)c1[N+](=O)[O-] ZINC000191957798 823824630 /nfs/dbraw/zinc/82/46/30/823824630.db2.gz PJPQTMFEPZVDMI-UHFFFAOYSA-N 0 0 395.463 4.417 20 5 GIBDRN C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000165108528 823834541 /nfs/dbraw/zinc/83/45/41/823834541.db2.gz RWRCLPNWYFGRSX-LLVKDONJSA-N 0 0 380.322 4.005 20 5 GIBDRN COc1ccc(Cl)c(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000574840169 823839772 /nfs/dbraw/zinc/83/97/72/823839772.db2.gz PBNYIYJUSHVDND-UHFFFAOYSA-N 0 0 388.811 4.102 20 5 GIBDRN C[C@H](C(=O)NC1(c2ccc(Br)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574855216 823844211 /nfs/dbraw/zinc/84/42/11/823844211.db2.gz KTDYUJKKKUBUIU-LBPRGKRZSA-N 0 0 389.249 4.266 20 5 GIBDRN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)Cc2ccccc2O1 ZINC000574865524 823847285 /nfs/dbraw/zinc/84/72/85/823847285.db2.gz NAUKAUQDUYDSIV-UHFFFAOYSA-N 0 0 395.459 4.008 20 5 GIBDRN COc1cc(Br)c(CNc2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000064621922 823854036 /nfs/dbraw/zinc/85/40/36/823854036.db2.gz SJEAEZFRPKGIAX-UHFFFAOYSA-N 0 0 381.226 4.295 20 5 GIBDRN Cc1ccc(C)c(OC2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000064632133 823855181 /nfs/dbraw/zinc/85/51/81/823855181.db2.gz VUAQATCSLCGXLN-UHFFFAOYSA-N 0 0 397.475 4.002 20 5 GIBDRN Cc1cc(NC(=O)c2cc(C)c(F)cc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126409778 823860059 /nfs/dbraw/zinc/86/00/59/823860059.db2.gz ZDWWUUATOMOLST-UHFFFAOYSA-N 0 0 388.786 4.442 20 5 GIBDRN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000574923654 823861186 /nfs/dbraw/zinc/86/11/86/823861186.db2.gz OSALCFXALDSOSO-LBPRGKRZSA-N 0 0 386.757 4.399 20 5 GIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000064697400 823866800 /nfs/dbraw/zinc/86/68/00/823866800.db2.gz ODANOJSIGXWTSX-UHFFFAOYSA-N 0 0 378.787 4.074 20 5 GIBDRN O=C(NCCc1ccccc1)c1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000462200151 823867170 /nfs/dbraw/zinc/86/71/70/823867170.db2.gz FBJDFPJPLWRBFD-UHFFFAOYSA-N 0 0 381.457 4.241 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000064699559 823867645 /nfs/dbraw/zinc/86/76/45/823867645.db2.gz AHJQFPWIIIMFPT-LBPRGKRZSA-N 0 0 397.822 4.464 20 5 GIBDRN COc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(Cl)c(OC)c1 ZINC000413935413 823870628 /nfs/dbraw/zinc/87/06/28/823870628.db2.gz VHYFRORKIUWLQX-UHFFFAOYSA-N 0 0 396.802 4.321 20 5 GIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000126498302 823884725 /nfs/dbraw/zinc/88/47/25/823884725.db2.gz FGJMGBGSYJQVGJ-INIZCTEOSA-N 0 0 376.844 4.033 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCCC2=O)c(F)c1 ZINC000462235406 823887995 /nfs/dbraw/zinc/88/79/95/823887995.db2.gz UEGHEJNKAIZCAL-UHFFFAOYSA-N 0 0 387.411 4.260 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000064836424 823896869 /nfs/dbraw/zinc/89/68/69/823896869.db2.gz ILQUTJYXMUCMHO-UHFFFAOYSA-N 0 0 394.431 4.247 20 5 GIBDRN C[C@H]1CCCN(c2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccn2)C1 ZINC000462258499 823902552 /nfs/dbraw/zinc/90/25/52/823902552.db2.gz PWULIFLUVYZZPW-INIZCTEOSA-N 0 0 394.475 4.031 20 5 GIBDRN C[C@H](CCc1ccccc1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064863988 823903367 /nfs/dbraw/zinc/90/33/67/823903367.db2.gz WDTWWJHSTFGFOY-CQSZACIVSA-N 0 0 381.457 4.469 20 5 GIBDRN C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc([N+](=O)[O-])c1 ZINC000575070617 823904418 /nfs/dbraw/zinc/90/44/18/823904418.db2.gz DOVCUDBJGUIVIS-LBPRGKRZSA-N 0 0 395.440 4.395 20 5 GIBDRN CCc1cc(SC(=S)N(CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904566 823909019 /nfs/dbraw/zinc/90/90/19/823909019.db2.gz WWTIGALDKYPILR-UHFFFAOYSA-N 0 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379.338 4.102 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121186668 823134655 /nfs/dbraw/zinc/13/46/55/823134655.db2.gz BJUYGNGSHSMIOW-CQSZACIVSA-N 0 0 390.509 4.139 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000176147861 823136028 /nfs/dbraw/zinc/13/60/28/823136028.db2.gz BJURPRGSQKQDLT-LBPRGKRZSA-N 0 0 376.482 4.218 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000056360981 823136206 /nfs/dbraw/zinc/13/62/06/823136206.db2.gz SIKZQSBGEZSZNX-LLVKDONJSA-N 0 0 383.326 4.054 20 5 GIBDRN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121194514 823136189 /nfs/dbraw/zinc/13/61/89/823136189.db2.gz HBJJCBKTTIAFSQ-UHFFFAOYSA-N 0 0 396.406 4.408 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000056373173 823138825 /nfs/dbraw/zinc/13/88/25/823138825.db2.gz MAYLNKVNOZKRPW-BDJLRTHQSA-N 0 0 375.425 4.331 20 5 GIBDRN CCc1ccc(C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000571154583 823141521 /nfs/dbraw/zinc/14/15/21/823141521.db2.gz UUCLGUGQFPBLJM-UHFFFAOYSA-N 0 0 397.406 4.457 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459199497 823142637 /nfs/dbraw/zinc/14/26/37/823142637.db2.gz GYSBPQKDTNAZDJ-MRXNPFEDSA-N 0 0 382.464 4.075 20 5 GIBDRN CN(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 ZINC000121235868 823144370 /nfs/dbraw/zinc/14/43/70/823144370.db2.gz JOUNKHCFXZFPPF-UHFFFAOYSA-N 0 0 386.477 4.343 20 5 GIBDRN COc1ccccc1C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000176174148 823144988 /nfs/dbraw/zinc/14/49/88/823144988.db2.gz MUSPHAGQZPANQE-GOSISDBHSA-N 0 0 385.464 4.012 20 5 GIBDRN CSc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000176203352 823151936 /nfs/dbraw/zinc/15/19/36/823151936.db2.gz FLAKVZDSPDUYBM-UHFFFAOYSA-N 0 0 396.428 4.496 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000121279775 823153971 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20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000176254193 823163824 /nfs/dbraw/zinc/16/38/24/823163824.db2.gz TVECZRYMEPSQLC-ZVZYQTTQSA-N 0 0 377.485 4.105 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2ccsc2)CC1 ZINC000188002959 823170154 /nfs/dbraw/zinc/17/01/54/823170154.db2.gz ZGTZWPRBQXYNNO-UHFFFAOYSA-N 0 0 382.388 4.278 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(OCc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571357817 823170475 /nfs/dbraw/zinc/17/04/75/823170475.db2.gz YHBKTOYNWWWYSE-OAHLLOKOSA-N 0 0 377.400 4.311 20 5 GIBDRN CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000571391367 823176554 /nfs/dbraw/zinc/17/65/54/823176554.db2.gz ATJTVGRBMORRHX-HNNXBMFYSA-N 0 0 386.795 4.179 20 5 GIBDRN CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000176314302 823179884 /nfs/dbraw/zinc/17/98/84/823179884.db2.gz QZGQFASACIUPFU-MRXNPFEDSA-N 0 0 376.840 4.009 20 5 GIBDRN COc1cc(CN(C)Cc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571450214 823184271 /nfs/dbraw/zinc/18/42/71/823184271.db2.gz OVUDVDNHAMZOCN-UHFFFAOYSA-N 0 0 393.443 4.209 20 5 GIBDRN Cc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000056726731 823200971 /nfs/dbraw/zinc/20/09/71/823200971.db2.gz IESBKWWZGAKDRS-QAPCUYQASA-N 0 0 399.447 4.344 20 5 GIBDRN CO[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000188178973 823198856 /nfs/dbraw/zinc/19/88/56/823198856.db2.gz KYYLUXWXVJWZSF-CQSZACIVSA-N 0 0 380.853 4.088 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000056726729 823200946 /nfs/dbraw/zinc/20/09/46/823200946.db2.gz IESBKWWZGAKDRS-YJBOKZPZSA-N 0 0 399.447 4.344 20 5 GIBDRN Cc1c(C(=O)Nc2cccnc2-c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000121556857 823205425 /nfs/dbraw/zinc/20/54/25/823205425.db2.gz LFNGJRFEBBVJJI-UHFFFAOYSA-N 0 0 378.344 4.126 20 5 GIBDRN CC(C)(NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000176502544 823222955 /nfs/dbraw/zinc/22/29/55/823222955.db2.gz ZZKFAKVHLJCPOU-UHFFFAOYSA-N 0 0 391.427 4.234 20 5 GIBDRN CO[C@@H](C)[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000188325725 823219975 /nfs/dbraw/zinc/21/99/75/823219975.db2.gz CNBQZHROPMBTRT-RYUDHWBXSA-N 0 0 378.812 4.194 20 5 GIBDRN CO[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000121675597 823228156 /nfs/dbraw/zinc/22/81/56/823228156.db2.gz XWPFDMARAQVPBB-MRXNPFEDSA-N 0 0 380.853 4.088 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2ccc(F)cc2C1 ZINC000121672413 823227579 /nfs/dbraw/zinc/22/75/79/823227579.db2.gz AUURGXRSWWTIDZ-UHFFFAOYSA-N 0 0 383.404 4.056 20 5 GIBDRN CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176537232 823231949 /nfs/dbraw/zinc/23/19/49/823231949.db2.gz ULCLBKSENGAOKF-NWDGAFQWSA-N 0 0 387.299 4.151 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000056979454 823237542 /nfs/dbraw/zinc/23/75/42/823237542.db2.gz TWCUHHPVUXMJKT-UHFFFAOYSA-N 0 0 399.790 4.275 20 5 GIBDRN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000121728040 823238316 /nfs/dbraw/zinc/23/83/16/823238316.db2.gz SSYAURNAJPXLIG-UHFFFAOYSA-N 0 0 397.460 4.162 20 5 GIBDRN CN(c1cccc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000057008081 823239695 /nfs/dbraw/zinc/23/96/95/823239695.db2.gz LCQCDNGKXLFTEP-UHFFFAOYSA-N 0 0 376.821 4.227 20 5 GIBDRN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1OC ZINC000571828941 823240771 /nfs/dbraw/zinc/24/07/71/823240771.db2.gz SCUHEVNSTLGUIW-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000057034050 823241700 /nfs/dbraw/zinc/24/17/00/823241700.db2.gz KGJGBHWZJPOLLX-UHFFFAOYSA-N 0 0 379.294 4.270 20 5 GIBDRN O=c1ccccn1C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000409528478 823242186 /nfs/dbraw/zinc/24/21/86/823242186.db2.gz QAIZUGHNZLWIJL-HXUWFJFHSA-N 0 0 386.411 4.158 20 5 GIBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000176596050 823244103 /nfs/dbraw/zinc/24/41/03/823244103.db2.gz QKHXKLKFANMQQM-QGZVFWFLSA-N 0 0 388.851 4.112 20 5 GIBDRN Cc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C ZINC000121757704 823244558 /nfs/dbraw/zinc/24/45/58/823244558.db2.gz RZFDFZPIFMGJCC-UHFFFAOYSA-N 0 0 399.447 4.223 20 5 GIBDRN CNc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000057059582 823245178 /nfs/dbraw/zinc/24/51/78/823245178.db2.gz CFIHTAVXNFXJJG-UHFFFAOYSA-N 0 0 381.388 4.199 20 5 GIBDRN Cc1cc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c2cccc([N+](=O)[O-])c2n1 ZINC000409530746 823242913 /nfs/dbraw/zinc/24/29/13/823242913.db2.gz ZDMIZHPVEJPQLQ-INIZCTEOSA-N 0 0 392.459 4.107 20 5 GIBDRN Cc1nc(Cn2cc(Br)c([N+](=O)[O-])n2)oc1-c1ccc(Cl)cc1 ZINC000121776032 823247960 /nfs/dbraw/zinc/24/79/60/823247960.db2.gz FWCWXHYVKPTVOL-UHFFFAOYSA-N 0 0 397.616 4.219 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121778096 823248627 /nfs/dbraw/zinc/24/86/27/823248627.db2.gz RHLVTAZZPCJGIQ-SJORKVTESA-N 0 0 390.443 4.107 20 5 GIBDRN CSc1c(F)cccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571902751 823251668 /nfs/dbraw/zinc/25/16/68/823251668.db2.gz FWLKHFKAVNUCDB-UHFFFAOYSA-N 0 0 385.214 4.471 20 5 GIBDRN O=C(c1cccc(Cl)c1Cl)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000057139163 823253860 /nfs/dbraw/zinc/25/38/60/823253860.db2.gz JCLSXUQUUSHARF-UHFFFAOYSA-N 0 0 398.221 4.003 20 5 GIBDRN CC(=O)Nc1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000571919558 823254226 /nfs/dbraw/zinc/25/42/26/823254226.db2.gz RUSSVUXUIODZIS-UHFFFAOYSA-N 0 0 384.367 4.068 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4csc([N+](=O)[O-])c4)CC3)c2c1 ZINC000057143348 823254422 /nfs/dbraw/zinc/25/44/22/823254422.db2.gz ZKDLZKDVXIQJJF-UHFFFAOYSA-N 0 0 383.429 4.076 20 5 GIBDRN CC1(C)Cc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C(=O)C1 ZINC000409584683 823255056 /nfs/dbraw/zinc/25/50/56/823255056.db2.gz MAZBZYKIWOGOPD-UHFFFAOYSA-N 0 0 385.401 4.205 20 5 GIBDRN O=C(NC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccsc1 ZINC000057150565 823255434 /nfs/dbraw/zinc/25/54/34/823255434.db2.gz BSQGUBIYRSPLGP-UHFFFAOYSA-N 0 0 399.394 4.074 20 5 GIBDRN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176644105 823256149 /nfs/dbraw/zinc/25/61/49/823256149.db2.gz NAURIMBKEUSCGD-ZDUSSCGKSA-N 0 0 389.622 4.018 20 5 GIBDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000001981556 817378605 /nfs/dbraw/zinc/37/86/05/817378605.db2.gz RYPRSBFITNXPMZ-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000001982093 817379071 /nfs/dbraw/zinc/37/90/71/817379071.db2.gz GHPUZUHZRFCESP-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188542344 823259901 /nfs/dbraw/zinc/25/99/01/823259901.db2.gz VHAREIXOPXYBAX-UHFFFAOYSA-N 0 0 382.313 4.101 20 5 GIBDRN CCCOc1cccc(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000571967320 823262021 /nfs/dbraw/zinc/26/20/21/823262021.db2.gz ZPKLAWUNGTVTIR-UHFFFAOYSA-N 0 0 392.415 4.430 20 5 GIBDRN Cc1cccc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)c1[N+](=O)[O-] ZINC000176667138 823262161 /nfs/dbraw/zinc/26/21/61/823262161.db2.gz NNTCTCAHUPJLSS-UHFFFAOYSA-N 0 0 389.314 4.412 20 5 GIBDRN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000121847362 823262175 /nfs/dbraw/zinc/26/21/75/823262175.db2.gz VHBVDBHAFIWQHI-MRXNPFEDSA-N 0 0 397.456 4.339 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000121849860 823262756 /nfs/dbraw/zinc/26/27/56/823262756.db2.gz VLODPIYOQIIKAR-IAGOWNOFSA-N 0 0 390.443 4.107 20 5 GIBDRN CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003420782 817452857 /nfs/dbraw/zinc/45/28/57/817452857.db2.gz FQESFRCBFGOGBR-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000004245947 817512212 /nfs/dbraw/zinc/51/22/12/817512212.db2.gz CDLQGZNUYUNRPQ-UHFFFAOYSA-N 0 0 399.447 4.219 20 5 GIBDRN COc1ccccc1CN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000176710327 823274404 /nfs/dbraw/zinc/27/44/04/823274404.db2.gz RTDGKJUOPMDETA-OAHLLOKOSA-N 0 0 383.448 4.347 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000572018423 823269810 /nfs/dbraw/zinc/26/98/10/823269810.db2.gz JAKVPBFRAYJFOZ-SFHVURJKSA-N 0 0 398.463 4.113 20 5 GIBDRN CCOc1cc(NC(=O)c2ccc(C3CC3)nc2C)c([N+](=O)[O-])cc1OCC ZINC000459893200 823270357 /nfs/dbraw/zinc/27/03/57/823270357.db2.gz CCZXUMMXWLFIAV-UHFFFAOYSA-N 0 0 385.420 4.225 20 5 GIBDRN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004830007 817536232 /nfs/dbraw/zinc/53/62/32/817536232.db2.gz YIKRUQQHRQHRQJ-SECBINFHSA-N 0 0 376.825 4.244 20 5 GIBDRN CCOc1cc(NC(=O)c2ccc(OC)c(Cl)c2)c([N+](=O)[O-])cc1OCC ZINC000459904549 823270994 /nfs/dbraw/zinc/27/09/94/823270994.db2.gz RQXCXHSKJFSEPO-UHFFFAOYSA-N 0 0 394.811 4.307 20 5 GIBDRN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4ncc5n4CCCC5)C3)ccc2c1 ZINC000409652973 823274575 /nfs/dbraw/zinc/27/45/75/823274575.db2.gz RJXYLUFHWBCATG-MRXNPFEDSA-N 0 0 377.448 4.060 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1cccs1 ZINC000005109942 817551496 /nfs/dbraw/zinc/55/14/96/817551496.db2.gz YUXVOKCKRGRNSV-UHFFFAOYSA-N 0 0 398.440 4.163 20 5 GIBDRN COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000188608416 823271842 /nfs/dbraw/zinc/27/18/42/823271842.db2.gz WBGMKYBWTJBRJC-UHFFFAOYSA-N 0 0 384.413 4.496 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000572036061 823272361 /nfs/dbraw/zinc/27/23/61/823272361.db2.gz MYTNSSNMYGTIQE-XYPYZODXSA-N 0 0 380.778 4.131 20 5 GIBDRN COCCOc1cc(C)ccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176710372 823274319 /nfs/dbraw/zinc/27/43/19/823274319.db2.gz UZTBMPSGQCEHMW-HNNXBMFYSA-N 0 0 387.436 4.120 20 5 GIBDRN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005589817 817599254 /nfs/dbraw/zinc/59/92/54/817599254.db2.gz GKODUUQOJZUOAF-UHFFFAOYSA-N 0 0 378.344 4.499 20 5 GIBDRN CCc1ccc2c(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000005656327 817605262 /nfs/dbraw/zinc/60/52/62/817605262.db2.gz ZELOZWKIOVFWCZ-UHFFFAOYSA-N 0 0 387.775 4.274 20 5 GIBDRN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005673516 817607436 /nfs/dbraw/zinc/60/74/36/817607436.db2.gz MPVYQASEKOOVRM-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1ccccc1[C@]1(F)CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000409667891 823278655 /nfs/dbraw/zinc/27/86/55/823278655.db2.gz HAKWCBYSZURAHY-QFIPXVFZSA-N 0 0 397.450 4.214 20 5 GIBDRN C=CC(=O)Nc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1F ZINC000176733331 823280333 /nfs/dbraw/zinc/28/03/33/823280333.db2.gz TWHLBMPHAMRHAC-UHFFFAOYSA-N 0 0 385.376 4.325 20 5 GIBDRN Cc1ccccc1[C@@]1(F)CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000409667889 823278710 /nfs/dbraw/zinc/27/87/10/823278710.db2.gz 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Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000026121689 820061366 /nfs/dbraw/zinc/06/13/66/820061366.db2.gz JNXARWPLOSTYOA-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1cc(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000573129916 823451156 /nfs/dbraw/zinc/45/11/56/823451156.db2.gz WYPQGKOWABVGMT-LBPRGKRZSA-N 0 0 394.880 4.096 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026335779 820085519 /nfs/dbraw/zinc/08/55/19/820085519.db2.gz AFVVFVLCHPEVPP-ZDUSSCGKSA-N 0 0 395.381 4.381 20 5 GIBDRN Cc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000026371609 820091406 /nfs/dbraw/zinc/09/14/06/820091406.db2.gz OZZSNQNJKMVZGO-UHFFFAOYSA-N 0 0 384.417 4.074 20 5 GIBDRN CCCCSc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000026409648 820094323 /nfs/dbraw/zinc/09/43/23/820094323.db2.gz HTVUXVOPTAAFKF-UHFFFAOYSA-N 0 0 398.535 4.459 20 5 GIBDRN O=C(OCc1coc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000026642695 820127270 /nfs/dbraw/zinc/12/72/70/820127270.db2.gz NOQMPHSCQFAGPD-UHFFFAOYSA-N 0 0 393.399 4.207 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](c2ccccc2F)C1 ZINC000410299403 823455090 /nfs/dbraw/zinc/45/50/90/823455090.db2.gz DYFGUOJBBNPMOE-AWEZNQCLSA-N 0 0 397.431 4.487 20 5 GIBDRN CCCCCc1nc2ccccc2n1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711521 820135794 /nfs/dbraw/zinc/13/57/94/820135794.db2.gz WSJJODRSVDIFHH-QGZVFWFLSA-N 0 0 383.448 4.117 20 5 GIBDRN CC(=O)Nc1cccc(-n2c(Sc3ccccc3[N+](=O)[O-])nnc2C2CC2)c1 ZINC000026723833 820136911 /nfs/dbraw/zinc/13/69/11/820136911.db2.gz XSPWHHQHUZJHII-UHFFFAOYSA-N 0 0 395.444 4.163 20 5 GIBDRN CCCc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000026747662 820139419 /nfs/dbraw/zinc/13/94/19/820139419.db2.gz HDZPXISZXGJCJQ-UHFFFAOYSA-N 0 0 380.347 4.410 20 5 GIBDRN CC(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460618263 823457475 /nfs/dbraw/zinc/45/74/75/823457475.db2.gz FNOGDGQHZIKAJP-HNAYVOBHSA-N 0 0 399.495 4.109 20 5 GIBDRN Cc1cc(-n2cccn2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000189617869 823459652 /nfs/dbraw/zinc/45/96/52/823459652.db2.gz KBBZEJRHGFSLCO-AWEZNQCLSA-N 0 0 382.445 4.208 20 5 GIBDRN COc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)c([N+](=O)[O-])c1 ZINC000123083430 823459156 /nfs/dbraw/zinc/45/91/56/823459156.db2.gz LBYIOFQLXGXUDY-UHFFFAOYSA-N 0 0 375.431 4.349 20 5 GIBDRN COc1cc(OCC(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000177429914 823460238 /nfs/dbraw/zinc/46/02/38/823460238.db2.gz DUXVNDDBLSPGKB-UHFFFAOYSA-N 0 0 398.337 4.116 20 5 GIBDRN COc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1NC(C)=O ZINC000123116715 823464892 /nfs/dbraw/zinc/46/48/92/823464892.db2.gz JJFYDVUATDRPDX-UHFFFAOYSA-N 0 0 384.219 4.481 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(OC(F)(F)F)c1 ZINC000027132943 820198436 /nfs/dbraw/zinc/19/84/36/820198436.db2.gz FUIPCKDBKLAYBJ-UHFFFAOYSA-N 0 0 383.326 4.324 20 5 GIBDRN COc1c(C)ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000027171564 820205550 /nfs/dbraw/zinc/20/55/50/820205550.db2.gz WIBFZAFJADSRMQ-GFCCVEGCSA-N 0 0 377.828 4.313 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000027258318 820216399 /nfs/dbraw/zinc/21/63/99/820216399.db2.gz QQQKJGHDPRRFFL-KUHUBIRLSA-N 0 0 384.480 4.107 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027340227 820227061 /nfs/dbraw/zinc/22/70/61/820227061.db2.gz YDGAWSNRTSWTFO-SJCJKPOMSA-N 0 0 389.839 4.031 20 5 GIBDRN COc1cc(CN(C)CCOc2ccccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027374207 820233700 /nfs/dbraw/zinc/23/37/00/820233700.db2.gz OMXPISRCFMXWBO-UHFFFAOYSA-N 0 0 396.390 4.024 20 5 GIBDRN COc1ccccc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000123112965 823464599 /nfs/dbraw/zinc/46/45/99/823464599.db2.gz VZIATQGDAMTUDS-IBGZPJMESA-N 0 0 397.387 4.116 20 5 GIBDRN Cc1nc(-c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cs1 ZINC000027807420 820287196 /nfs/dbraw/zinc/28/71/96/820287196.db2.gz STQMNIUMINCXEI-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1nnsc1Cl ZINC000027911813 820296176 /nfs/dbraw/zinc/29/61/76/820296176.db2.gz XQIYPACRGAKMEX-UHFFFAOYSA-N 0 0 388.905 4.367 20 5 GIBDRN CCCCOc1ccc(OC)cc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000028014611 820304964 /nfs/dbraw/zinc/30/49/64/820304964.db2.gz MBYHRVXYTSFCNQ-UHFFFAOYSA-N 0 0 388.420 4.433 20 5 GIBDRN C[C@H]1C[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028301372 820323240 /nfs/dbraw/zinc/32/32/40/820323240.db2.gz MZFFNNVVRUSROD-PZSREKOKSA-N 0 0 388.807 4.127 20 5 GIBDRN C[C@@H]1C[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028301374 820323474 /nfs/dbraw/zinc/32/34/74/820323474.db2.gz MZFFNNVVRUSROD-JDSLSITLSA-N 0 0 388.807 4.127 20 5 GIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC2(C1)CCCCC2 ZINC000460663639 823470675 /nfs/dbraw/zinc/47/06/75/823470675.db2.gz LXTUFLAEWCXLPO-UHFFFAOYSA-N 0 0 386.370 4.332 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000028423897 820335144 /nfs/dbraw/zinc/33/51/44/820335144.db2.gz LARKIAJACKLZMW-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)Nc2cccc(Cl)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000177498463 823477173 /nfs/dbraw/zinc/47/71/73/823477173.db2.gz NJVSASMJHMOXGF-LBPRGKRZSA-N 0 0 397.822 4.464 20 5 GIBDRN Cc1ccccc1[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000573295709 823477253 /nfs/dbraw/zinc/47/72/53/823477253.db2.gz GWZNTDPUZSMFKU-HXUWFJFHSA-N 0 0 383.448 4.205 20 5 GIBDRN CCOc1cc(C(=O)Nc2nc3ccc(C)cc3s2)c([N+](=O)[O-])cc1OC ZINC000028818227 820360730 /nfs/dbraw/zinc/36/07/30/820360730.db2.gz LOWMNRMJEGVZJI-UHFFFAOYSA-N 0 0 387.417 4.173 20 5 GIBDRN COc1cccc(/C(C)=C/C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000177484626 823473453 /nfs/dbraw/zinc/47/34/53/823473453.db2.gz LEGOJZXLOYTGHR-JQIJEIRASA-N 0 0 396.443 4.077 20 5 GIBDRN COc1cccc2sc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])nc21 ZINC000028841982 820362836 /nfs/dbraw/zinc/36/28/36/820362836.db2.gz UFCWPLDSJQMCMJ-UHFFFAOYSA-N 0 0 375.431 4.187 20 5 GIBDRN CCN(CC)c1ccc(-c2nnc(Sc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000028977718 820379140 /nfs/dbraw/zinc/37/91/40/820379140.db2.gz WOQFSOFJXYZNAV-UHFFFAOYSA-N 0 0 383.477 4.388 20 5 GIBDRN CSc1ccc(C(=O)Nc2ccccc2-c2nncn2C(C)C)cc1[N+](=O)[O-] ZINC000177491169 823475046 /nfs/dbraw/zinc/47/50/46/823475046.db2.gz CZTIKDQESJVOAA-UHFFFAOYSA-N 0 0 397.460 4.408 20 5 GIBDRN CCc1cc(=O)oc2cc(Oc3ccc(/C=C/C(=O)OC)cc3[N+](=O)[O-])ccc12 ZINC000029068308 820389125 /nfs/dbraw/zinc/38/91/25/820389125.db2.gz ABILXQILEZUMLV-WEVVVXLNSA-N 0 0 395.367 4.242 20 5 GIBDRN CN(C(=O)CSc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000029411875 820452621 /nfs/dbraw/zinc/45/26/21/820452621.db2.gz MFBDFVHZGYPXJQ-UHFFFAOYSA-N 0 0 385.470 4.473 20 5 GIBDRN Cc1c(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000059012641 823483262 /nfs/dbraw/zinc/48/32/62/823483262.db2.gz JKFDGCWKHXYCPI-UHFFFAOYSA-N 0 0 390.395 4.417 20 5 GIBDRN Cc1c(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000059012775 823483324 /nfs/dbraw/zinc/48/33/24/823483324.db2.gz LZOCDOPOCIZSHC-UHFFFAOYSA-N 0 0 386.738 4.176 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000058998943 823481007 /nfs/dbraw/zinc/48/10/07/823481007.db2.gz WWABGTBXGCTBDN-UHFFFAOYSA-N 0 0 384.310 4.051 20 5 GIBDRN C[C@@H](c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000029530057 820468984 /nfs/dbraw/zinc/46/89/84/820468984.db2.gz HBWVCBZGONLILS-ZDUSSCGKSA-N 0 0 390.827 4.040 20 5 GIBDRN CCCCc1noc(CSc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000029602737 820482570 /nfs/dbraw/zinc/48/25/70/820482570.db2.gz WWDHJWWIUZCQHD-UHFFFAOYSA-N 0 0 380.473 4.105 20 5 GIBDRN O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029635306 820489089 /nfs/dbraw/zinc/48/90/89/820489089.db2.gz PUZCEMVBMZKIJN-UHFFFAOYSA-N 0 0 394.884 4.333 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CC(F)(F)F)C1CCCC1 ZINC000177536412 823485284 /nfs/dbraw/zinc/48/52/84/823485284.db2.gz GHFTWGKOJMSAKP-UHFFFAOYSA-N 0 0 399.413 4.145 20 5 GIBDRN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000123251147 823485357 /nfs/dbraw/zinc/48/53/57/823485357.db2.gz OIIDNZMKUMKTMR-UHFFFAOYSA-N 0 0 380.379 4.186 20 5 GIBDRN O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000410399182 823486872 /nfs/dbraw/zinc/48/68/72/823486872.db2.gz NJJUNQHBHJQSHH-UHFFFAOYSA-N 0 0 393.790 4.234 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000059248009 823486951 /nfs/dbraw/zinc/48/69/51/823486951.db2.gz KHIWYGFSQQXORU-UHFFFAOYSA-N 0 0 390.395 4.417 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)[C@H]2CCCO2)c(Br)c1 ZINC000177545121 823487224 /nfs/dbraw/zinc/48/72/24/823487224.db2.gz HLHAUPHVZKFXRY-CABCVRRESA-N 0 0 378.226 4.085 20 5 GIBDRN CC(C)COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000030201101 820585729 /nfs/dbraw/zinc/58/57/29/820585729.db2.gz IFFNYEXXJYRIEH-UHFFFAOYSA-N 0 0 378.812 4.301 20 5 GIBDRN O=C(CCc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000177576747 823494877 /nfs/dbraw/zinc/49/48/77/823494877.db2.gz QTHYZEBSXWMPJC-UHFFFAOYSA-N 0 0 385.164 4.207 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000030327305 820601322 /nfs/dbraw/zinc/60/13/22/820601322.db2.gz HPSDWRRFDURKKM-AWEZNQCLSA-N 0 0 398.893 4.072 20 5 GIBDRN O=C(Nc1ccc2ccc(Cl)cc2n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000410415518 823490613 /nfs/dbraw/zinc/49/06/13/823490613.db2.gz UMKSMZHDSAGQIP-UHFFFAOYSA-N 0 0 393.790 4.234 20 5 GIBDRN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)cs1 ZINC000030530148 820633233 /nfs/dbraw/zinc/63/32/33/820633233.db2.gz XMKFVSSXLMYDSW-UHFFFAOYSA-N 0 0 389.458 4.136 20 5 GIBDRN Cc1cc(NCCC(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000059420635 823496074 /nfs/dbraw/zinc/49/60/74/823496074.db2.gz OBVQMCKFRSWISV-UHFFFAOYSA-N 0 0 378.226 4.106 20 5 GIBDRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000189803533 823497363 /nfs/dbraw/zinc/49/73/63/823497363.db2.gz IFLVZZVBDNMVQH-UHFFFAOYSA-N 0 0 392.799 4.082 20 5 GIBDRN CN(C(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000030965705 820712200 /nfs/dbraw/zinc/71/22/00/820712200.db2.gz JFNDMEUVZICWRS-QGZVFWFLSA-N 0 0 396.472 4.004 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000059809431 823499429 /nfs/dbraw/zinc/49/94/29/823499429.db2.gz ZIXVYYZUVHQINW-UHFFFAOYSA-N 0 0 388.811 4.033 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000123344750 823499513 /nfs/dbraw/zinc/49/95/13/823499513.db2.gz ADUAQMBANHWJHS-ZFWWWQNUSA-N 0 0 380.853 4.038 20 5 GIBDRN CCC[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000410568623 823504916 /nfs/dbraw/zinc/50/49/16/823504916.db2.gz RDHGPZOFGXXPRM-HNNXBMFYSA-N 0 0 382.338 4.292 20 5 GIBDRN COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000123396182 823505301 /nfs/dbraw/zinc/50/53/01/823505301.db2.gz WRODHSPLDBBHGP-HNNXBMFYSA-N 0 0 379.800 4.357 20 5 GIBDRN COc1ccc([C@@H](C)CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000177644027 823506292 /nfs/dbraw/zinc/50/62/92/823506292.db2.gz FZHOTTVZEDXVDG-INIZCTEOSA-N 0 0 398.459 4.167 20 5 GIBDRN COc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000410541327 823502885 /nfs/dbraw/zinc/50/28/85/823502885.db2.gz SEEZNMMNKDZPGY-UHFFFAOYSA-N 0 0 392.330 4.009 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000031398942 820804180 /nfs/dbraw/zinc/80/41/80/820804180.db2.gz VTWCPJFTNKZWEX-GFCCVEGCSA-N 0 0 399.472 4.156 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000460748317 823503388 /nfs/dbraw/zinc/50/33/88/823503388.db2.gz QPXISGKBVJHATG-FMIVXFBMSA-N 0 0 375.388 4.109 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC000460767116 823506869 /nfs/dbraw/zinc/50/68/69/823506869.db2.gz DWRWAHADXVNHQY-APWZRJJASA-N 0 0 399.495 4.049 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031488051 820816956 /nfs/dbraw/zinc/81/69/56/820816956.db2.gz ILLLJOLRZNAMGW-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC000460767121 823507044 /nfs/dbraw/zinc/50/70/44/823507044.db2.gz DWRWAHADXVNHQY-QFBILLFUSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000177652199 823507544 /nfs/dbraw/zinc/50/75/44/823507544.db2.gz FWDMHQQUAAFVQZ-UHFFFAOYSA-N 0 0 390.443 4.153 20 5 GIBDRN CCNc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2ccccc21 ZINC000031766315 820856839 /nfs/dbraw/zinc/85/68/39/820856839.db2.gz KJAUVRZEAYRZIA-UHFFFAOYSA-N 0 0 397.460 4.009 20 5 GIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1OCCc2sccc21 ZINC000410706608 823510243 /nfs/dbraw/zinc/51/02/43/823510243.db2.gz VGRSVCIOHNDIGE-BBATYDOGSA-N 0 0 383.429 4.093 20 5 GIBDRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000031809522 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WSTWDNVEFBTKEA-UHFFFAOYSA-N 0 0 399.875 4.062 20 5 GIBDRN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000032157938 820899979 /nfs/dbraw/zinc/89/99/79/820899979.db2.gz MWFWCPXXSOPZBH-SFHVURJKSA-N 0 0 376.416 4.066 20 5 GIBDRN CSc1cccc(C(=O)N(C)C2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000410804260 823514823 /nfs/dbraw/zinc/51/48/23/823514823.db2.gz FMZOGMOAABWHHP-UHFFFAOYSA-N 0 0 385.489 4.058 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1CCN(c2ccccc2)CC1 ZINC000410806423 823515215 /nfs/dbraw/zinc/51/52/15/823515215.db2.gz MPJDEFSXLYMQJU-UHFFFAOYSA-N 0 0 387.867 4.298 20 5 GIBDRN COc1cc(C(=O)NC[C@H]2C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000032382193 820931251 /nfs/dbraw/zinc/93/12/51/820931251.db2.gz JCEHQYZDKONDJT-WCQYABFASA-N 0 0 390.823 4.435 20 5 GIBDRN CCn1ncc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C(F)(F)F ZINC000410816397 823516388 /nfs/dbraw/zinc/51/63/88/823516388.db2.gz GKCZYHDGTHDZPU-UHFFFAOYSA-N 0 0 396.247 4.101 20 5 GIBDRN Cc1c(NC(=O)NCCc2csc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000177720123 823516597 /nfs/dbraw/zinc/51/65/97/823516597.db2.gz IMCZFPGIFVVCNT-UHFFFAOYSA-N 0 0 382.445 4.391 20 5 GIBDRN CCCN(C(=O)c1nc(C)sc1Br)c1cccc([N+](=O)[O-])c1 ZINC000410824155 823516963 /nfs/dbraw/zinc/51/69/63/823516963.db2.gz SJVUZRIWDVQEQV-UHFFFAOYSA-N 0 0 384.255 4.179 20 5 GIBDRN CCCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000032749691 821002853 /nfs/dbraw/zinc/00/28/53/821002853.db2.gz ZFAWYFXVDBTTEL-UHFFFAOYSA-N 0 0 392.839 4.366 20 5 GIBDRN COc1cc(C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)c([N+](=O)[O-])cc1F ZINC000410901956 823522230 /nfs/dbraw/zinc/52/22/30/823522230.db2.gz YHLOIYXXHMXNBG-UHFFFAOYSA-N 0 0 392.814 4.291 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NCCC3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000033120977 821035677 /nfs/dbraw/zinc/03/56/77/821035677.db2.gz SUKCIUGEVKJZEL-UHFFFAOYSA-N 0 0 384.480 4.157 20 5 GIBDRN CC(C)Cn1c(-c2cccnc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460848885 823528041 /nfs/dbraw/zinc/52/80/41/823528041.db2.gz SPPPNBCCWXNYPO-UHFFFAOYSA-N 0 0 394.479 4.319 20 5 GIBDRN CCC(C)(C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000036718988 821078750 /nfs/dbraw/zinc/07/87/50/821078750.db2.gz LGACIBPJVKGEDF-UHFFFAOYSA-N 0 0 387.402 4.135 20 5 GIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccncc1 ZINC000410956165 823524432 /nfs/dbraw/zinc/52/44/32/823524432.db2.gz JYMDVSZJHYNQCK-HNNXBMFYSA-N 0 0 379.338 4.232 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCc1nc2ccc(Br)cc2o1 ZINC000460857918 823530181 /nfs/dbraw/zinc/53/01/81/823530181.db2.gz ICYLXXPYKCSFIR-UHFFFAOYSA-N 0 0 379.166 4.086 20 5 GIBDRN CN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037991857 821093978 /nfs/dbraw/zinc/09/39/78/821093978.db2.gz JMQICEQFTNYIRC-UHFFFAOYSA-N 0 0 389.658 4.344 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)c1[N+](=O)[O-] ZINC000410994002 823530535 /nfs/dbraw/zinc/53/05/35/823530535.db2.gz ALWYBKWVVLVYLV-AWEZNQCLSA-N 0 0 383.473 4.336 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CSCCOCC(F)(F)C(F)F)co2)cc1 ZINC000190055022 823531294 /nfs/dbraw/zinc/53/12/94/823531294.db2.gz MLLIGDMFTZSKBZ-UHFFFAOYSA-N 0 0 394.346 4.400 20 5 GIBDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cn2)c1 ZINC000060475692 823532370 /nfs/dbraw/zinc/53/23/70/823532370.db2.gz BEOJNJYZBWZVFS-UHFFFAOYSA-N 0 0 383.429 4.390 20 5 GIBDRN COc1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OCCC(C)C ZINC000060475754 823532404 /nfs/dbraw/zinc/53/24/04/823532404.db2.gz CBMOEKODQZAKLD-YRNVUSSQSA-N 0 0 398.459 4.358 20 5 GIBDRN CCNc1ccc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000411012871 823533491 /nfs/dbraw/zinc/53/34/91/823533491.db2.gz NWFRMYFLCGVDBH-YJYMSZOUSA-N 0 0 396.447 4.040 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1C ZINC000060496675 823534648 /nfs/dbraw/zinc/53/46/48/823534648.db2.gz HZDUOCJTFPSGQZ-INIZCTEOSA-N 0 0 388.489 4.201 20 5 GIBDRN CCN(Cc1ccccc1Cl)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060499719 823535061 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COc1ccc(CSc2nnc(-c3sc(C)nc3C)o2)cc1[N+](=O)[O-] ZINC000042156061 821276387 /nfs/dbraw/zinc/27/63/87/821276387.db2.gz LPTXIESIAQHBNT-UHFFFAOYSA-N 0 0 378.435 4.019 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918634 821344895 /nfs/dbraw/zinc/34/48/95/821344895.db2.gz HCROTKONPWPHQZ-VIFPVBQESA-N 0 0 386.738 4.256 20 5 GIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042749142 821330405 /nfs/dbraw/zinc/33/04/05/821330405.db2.gz HNRAAJQJRPJRQD-UHFFFAOYSA-N 0 0 397.410 4.221 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)s1 ZINC000042918583 821344711 /nfs/dbraw/zinc/34/47/11/821344711.db2.gz BXNUOKYZBQBMJR-UHFFFAOYSA-N 0 0 393.165 4.273 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(Cl)cc1Cl ZINC000043002913 821353999 /nfs/dbraw/zinc/35/39/99/821353999.db2.gz XXKUUYIMRVQXIJ-UHFFFAOYSA-N 0 0 382.247 4.286 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000043149408 821368857 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20 5 GIBDRN Cc1c(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000043346649 821396003 /nfs/dbraw/zinc/39/60/03/821396003.db2.gz GSWWNKHLSRAODB-UHFFFAOYSA-N 0 0 379.420 4.191 20 5 GIBDRN Cc1c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043347628 821396015 /nfs/dbraw/zinc/39/60/15/821396015.db2.gz DGSQUHILOIGDHT-KRWDZBQOSA-N 0 0 385.420 4.108 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043347668 821396043 /nfs/dbraw/zinc/39/60/43/821396043.db2.gz BPZRPYUOCFNQQL-UHFFFAOYSA-N 0 0 393.447 4.087 20 5 GIBDRN Cc1cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000180720629 821417065 /nfs/dbraw/zinc/41/70/65/821417065.db2.gz GRZNONBNUWEWQY-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN COc1ccc([C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000043717732 821446682 /nfs/dbraw/zinc/44/66/82/821446682.db2.gz DGPVQLHEYAXUSP-NRFANRHFSA-N 0 0 391.427 4.192 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc(-c2ccccc2)c[nH]1 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SKSIPQFMOQYEQA-UHFFFAOYSA-N 0 0 394.456 4.123 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000180946908 821551811 /nfs/dbraw/zinc/55/18/11/821551811.db2.gz FXPKDUYQMDDZGU-UHFFFAOYSA-N 0 0 391.214 4.364 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000044332760 821572202 /nfs/dbraw/zinc/57/22/02/821572202.db2.gz XJVWAOXKZMAXAP-UHFFFAOYSA-N 0 0 398.369 4.108 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180984978 821574652 /nfs/dbraw/zinc/57/46/52/821574652.db2.gz GUFVITCIAROGFF-HZPDHXFCSA-N 0 0 397.765 4.178 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000180988764 821577231 /nfs/dbraw/zinc/57/72/31/821577231.db2.gz WUUXMTRRMHLKNA-UHFFFAOYSA-N 0 0 398.806 4.057 20 5 GIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)n1 ZINC000044405389 821584728 /nfs/dbraw/zinc/58/47/28/821584728.db2.gz JJLDLYLRAUTSOZ-UHFFFAOYSA-N 0 0 386.458 4.467 20 5 GIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000044547799 821606066 /nfs/dbraw/zinc/60/60/66/821606066.db2.gz SFXHBLIAYREKRS-CYBMUJFWSA-N 0 0 387.461 4.371 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000044575873 821613307 /nfs/dbraw/zinc/61/33/07/821613307.db2.gz ZUUJQGREDSLQHP-OAQYLSRUSA-N 0 0 393.468 4.120 20 5 GIBDRN COc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000044587897 821616146 /nfs/dbraw/zinc/61/61/46/821616146.db2.gz MSDXVUVRKBHUJA-UHFFFAOYSA-N 0 0 384.432 4.163 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044634413 821631908 /nfs/dbraw/zinc/63/19/08/821631908.db2.gz SMUAUGHQJSIXBI-UHFFFAOYSA-N 0 0 389.411 4.337 20 5 GIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000044738683 821651646 /nfs/dbraw/zinc/65/16/46/821651646.db2.gz WAGZMIRLMQLAOL-LLVKDONJSA-N 0 0 378.450 4.253 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Br)nc2C)cc1[N+](=O)[O-] ZINC000181312339 821750618 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390.371 4.033 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000181811812 822002788 /nfs/dbraw/zinc/00/27/88/822002788.db2.gz ZZSHXBZBBHVBKX-UHFFFAOYSA-N 0 0 375.812 4.301 20 5 GIBDRN Cn1cccc1[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181927880 822038484 /nfs/dbraw/zinc/03/84/84/822038484.db2.gz AIRCHRPSNCSHTE-CQSZACIVSA-N 0 0 379.869 4.043 20 5 GIBDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181959694 822046446 /nfs/dbraw/zinc/04/64/46/822046446.db2.gz OGMKDYOFZODDGB-JSGCOSHPSA-N 0 0 376.359 4.214 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000182238733 822162075 /nfs/dbraw/zinc/16/20/75/822162075.db2.gz OXYACXIYLJBWRN-JTQLQIEISA-N 0 0 384.358 4.021 20 5 GIBDRN O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000182309463 822197792 /nfs/dbraw/zinc/19/77/92/822197792.db2.gz MIAYAZNUAGHTSB-OAHLLOKOSA-N 0 0 391.349 4.081 20 5 GIBDRN CCN(CC)C(=O)COc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000182310800 822198230 /nfs/dbraw/zinc/19/82/30/822198230.db2.gz FZLXLJBUSIRMHM-INIZCTEOSA-N 0 0 385.464 4.324 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)O[C@@H](C)C2 ZINC000182397339 822228700 /nfs/dbraw/zinc/22/87/00/822228700.db2.gz OUSSEHAZJVBLOU-RYUDHWBXSA-N 0 0 388.395 4.198 20 5 GIBDRN Cc1cc(NC(=O)Cc2cccc(OCc3cccnc3)c2)ccc1[N+](=O)[O-] ZINC000182407799 822232473 /nfs/dbraw/zinc/23/24/73/822232473.db2.gz KRGDXFZDIJXMCE-UHFFFAOYSA-N 0 0 377.400 4.058 20 5 GIBDRN CC[C@@H](C)[C@H](C)C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000182423448 822237884 /nfs/dbraw/zinc/23/78/84/822237884.db2.gz BPHQZFHVSNQQPG-KGLIPLIRSA-N 0 0 391.493 4.380 20 5 GIBDRN CC[C@H](C)[C@H](C)C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000182423466 822238157 /nfs/dbraw/zinc/23/81/57/822238157.db2.gz BPHQZFHVSNQQPG-KBPBESRZSA-N 0 0 391.493 4.380 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)c1ccco1 ZINC000182444551 822244653 /nfs/dbraw/zinc/24/46/53/822244653.db2.gz SFOQLNOCWZQJOG-UHFFFAOYSA-N 0 0 379.372 4.309 20 5 GIBDRN COc1cc(CNc2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000182452273 822247442 /nfs/dbraw/zinc/24/74/42/822247442.db2.gz NNJDNEJUDTUHMN-UHFFFAOYSA-N 0 0 392.280 4.277 20 5 GIBDRN Cc1cnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)s1 ZINC000177945408 822252313 /nfs/dbraw/zinc/25/23/13/822252313.db2.gz XGNMMFQIJOKXIT-CQSZACIVSA-N 0 0 388.493 4.087 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000177947516 822253949 /nfs/dbraw/zinc/25/39/49/822253949.db2.gz ACQFTCJNWBPGTG-UHFFFAOYSA-N 0 0 386.452 4.005 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182472328 822255824 /nfs/dbraw/zinc/25/58/24/822255824.db2.gz HGHANVIDVMOMHG-JTQLQIEISA-N 0 0 386.301 4.417 20 5 GIBDRN COCc1ccsc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000182500924 822270103 /nfs/dbraw/zinc/27/01/03/822270103.db2.gz PWSXPBRBCXUOQX-UHFFFAOYSA-N 0 0 389.458 4.487 20 5 GIBDRN C[C@H](C(=O)N(Cc1ccco1)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000182501564 822270714 /nfs/dbraw/zinc/27/07/14/822270714.db2.gz NNGIVMAJNAHUMR-AWEZNQCLSA-N 0 0 383.379 4.054 20 5 GIBDRN C[C@@H](C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182541683 822292808 /nfs/dbraw/zinc/29/28/08/822292808.db2.gz CHVPLFNLJNAOLC-CXAGYDPISA-N 0 0 388.395 4.034 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000182567209 822306029 /nfs/dbraw/zinc/30/60/29/822306029.db2.gz MICCXKLFAYPTCN-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000178064472 822306295 /nfs/dbraw/zinc/30/62/95/822306295.db2.gz APYWSXQTLLFLNP-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCC(N2CCCCC2=O)CC1 ZINC000178087756 822314244 /nfs/dbraw/zinc/31/42/44/822314244.db2.gz LBOVSPVQYZFRIF-UHFFFAOYSA-N 0 0 387.483 4.005 20 5 GIBDRN CC(C)c1nc(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000182598060 822317192 /nfs/dbraw/zinc/31/71/92/822317192.db2.gz VWOOTDKGBJHWIX-UHFFFAOYSA-N 0 0 399.925 4.279 20 5 GIBDRN COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1N)oc1ccccc12 ZINC000178152361 822334535 /nfs/dbraw/zinc/33/45/35/822334535.db2.gz PXGACTOBDAMBJA-UHFFFAOYSA-N 0 0 377.356 4.337 20 5 GIBDRN COc1cc(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000182641074 822334890 /nfs/dbraw/zinc/33/48/90/822334890.db2.gz QYWVIEQISQPEMA-UHFFFAOYSA-N 0 0 380.347 4.311 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCc2cc(F)cc(F)c21 ZINC000182651216 822339115 /nfs/dbraw/zinc/33/91/15/822339115.db2.gz SAJWKYAIQCWOOP-UHFFFAOYSA-N 0 0 384.285 4.067 20 5 GIBDRN O=C(N[C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000182701727 822355319 /nfs/dbraw/zinc/35/53/19/822355319.db2.gz HECOFQIXBLZXDQ-LJQANCHMSA-N 0 0 394.452 4.209 20 5 GIBDRN CCS(=O)(=O)Cc1ccc(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000453414586 822359793 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390.486 4.033 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Br ZINC000046697389 822506679 /nfs/dbraw/zinc/50/66/79/822506679.db2.gz VHIIQKVMCWEGJB-LLVKDONJSA-N 0 0 393.237 4.165 20 5 GIBDRN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OC(F)F)c1 ZINC000179592375 822508911 /nfs/dbraw/zinc/50/89/11/822508911.db2.gz SMMCTLVGQPWNOT-LLVKDONJSA-N 0 0 390.346 4.097 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046724694 822510233 /nfs/dbraw/zinc/51/02/33/822510233.db2.gz SUTYWTPPRJXYRE-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN Cc1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183686946 822511342 /nfs/dbraw/zinc/51/13/42/822511342.db2.gz AKSDOEDNQQSSAQ-UHFFFAOYSA-N 0 0 390.399 4.052 20 5 GIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454644742 822511633 /nfs/dbraw/zinc/51/16/33/822511633.db2.gz OFHLODJINQUUDC-HNNXBMFYSA-N 0 0 398.463 4.172 20 5 GIBDRN 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822578464 /nfs/dbraw/zinc/57/84/64/822578464.db2.gz AIMAQEDKHWPOQZ-UHFFFAOYSA-N 0 0 377.469 4.121 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455090944 822587821 /nfs/dbraw/zinc/58/78/21/822587821.db2.gz HEBPMTDBGHRFKD-SCLBCKFNSA-N 0 0 389.839 4.092 20 5 GIBDRN COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455095461 822588217 /nfs/dbraw/zinc/58/82/17/822588217.db2.gz PXXIOEWLBZQHPW-LBPRGKRZSA-N 0 0 377.828 4.159 20 5 GIBDRN C[C@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000455100721 822588934 /nfs/dbraw/zinc/58/89/34/822588934.db2.gz YCHGPDXPIROPGI-JTQLQIEISA-N 0 0 398.282 4.321 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000047550109 822589768 /nfs/dbraw/zinc/58/97/68/822589768.db2.gz UHWPFPJDGDONQX-VIFPVBQESA-N 0 0 382.189 4.379 20 5 GIBDRN COc1ccc(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000455109506 822590256 /nfs/dbraw/zinc/59/02/56/822590256.db2.gz VOFNGHQNDJDKPA-UHFFFAOYSA-N 0 0 395.337 4.254 20 5 GIBDRN COc1cc(C)c(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000455165271 822600594 /nfs/dbraw/zinc/60/05/94/822600594.db2.gz RFRCOYFBSPDZKZ-HNNXBMFYSA-N 0 0 387.411 4.462 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000455177889 822602350 /nfs/dbraw/zinc/60/23/50/822602350.db2.gz ZLANRAPJFMCFQU-UHFFFAOYSA-N 0 0 395.337 4.254 20 5 GIBDRN CCc1nc2c(s1)[C@@H](N(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-])CCC2 ZINC000184265844 822605711 /nfs/dbraw/zinc/60/57/11/822605711.db2.gz FZAUQNBOLLLISW-AWEZNQCLSA-N 0 0 379.457 4.271 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2cccnc2-n2cccn2)c2ccccc2)c1 ZINC000180085007 822611982 /nfs/dbraw/zinc/61/19/82/822611982.db2.gz WGOXVGPBNOZPRQ-NRFANRHFSA-N 0 0 385.427 4.055 20 5 GIBDRN CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866234 822615255 /nfs/dbraw/zinc/61/52/55/822615255.db2.gz MTVGQLAWCKAIFT-UHFFFAOYSA-N 0 0 395.362 4.259 20 5 GIBDRN Cc1csc([C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C(F)(F)F)n1 ZINC000455242145 822615779 /nfs/dbraw/zinc/61/57/79/822615779.db2.gz GYBBBGFSSXJLSV-LBPRGKRZSA-N 0 0 388.371 4.402 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000455243579 822616264 /nfs/dbraw/zinc/61/62/64/822616264.db2.gz IUMHQCMGAQDOGQ-QGZVFWFLSA-N 0 0 377.828 4.062 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc(C2CCCCC2)no1 ZINC000184331359 822616760 /nfs/dbraw/zinc/61/67/60/822616760.db2.gz CMVUYYYJEPQRFH-NWDGAFQWSA-N 0 0 390.415 4.146 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000455254199 822618745 /nfs/dbraw/zinc/61/87/45/822618745.db2.gz WVJWLJJPPOWMOU-UHFFFAOYSA-N 0 0 381.432 4.312 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)c3nncs3)cc2[N+](=O)[O-])cc1 ZINC000184347643 822619768 /nfs/dbraw/zinc/61/97/68/822619768.db2.gz QKQLVKOWRMCVCC-UHFFFAOYSA-N 0 0 386.458 4.183 20 5 GIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000180124990 822620566 /nfs/dbraw/zinc/62/05/66/822620566.db2.gz VBEBICQHCJMUNC-UHFFFAOYSA-N 0 0 384.461 4.046 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000180126906 822621105 /nfs/dbraw/zinc/62/11/05/822621105.db2.gz BUNSCZBKTUZNTH-UHFFFAOYSA-N 0 0 387.461 4.049 20 5 GIBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21 ZINC000180139185 822624401 /nfs/dbraw/zinc/62/44/01/822624401.db2.gz CLNUKDCVKUPZNS-OAHLLOKOSA-N 0 0 396.424 4.117 20 5 GIBDRN CCCCc1nc(CS(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000180141572 822624921 /nfs/dbraw/zinc/62/49/21/822624921.db2.gz VSDNMNMECREWOJ-CYBMUJFWSA-N 0 0 382.507 4.378 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000180146411 822626278 /nfs/dbraw/zinc/62/62/78/822626278.db2.gz XOELKFPXDGBUHZ-AWEZNQCLSA-N 0 0 386.429 4.234 20 5 GIBDRN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000184419421 822631696 /nfs/dbraw/zinc/63/16/96/822631696.db2.gz CGGUHGRCJMPTMO-ZWNOBZJWSA-N 0 0 382.873 4.081 20 5 GIBDRN Cc1nc(-c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)n[nH]1 ZINC000180170881 822631799 /nfs/dbraw/zinc/63/17/99/822631799.db2.gz YXMTWXKHPYMFMN-UHFFFAOYSA-N 0 0 392.444 4.424 20 5 GIBDRN CO[C@@H]1CCOc2c(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cccc21 ZINC000455314279 822633081 /nfs/dbraw/zinc/63/30/81/822633081.db2.gz ZTUHCDFBUOERQW-QGZVFWFLSA-N 0 0 385.420 4.122 20 5 GIBDRN CC(C)c1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c1 ZINC000184434929 822634553 /nfs/dbraw/zinc/63/45/53/822634553.db2.gz UJBMLRGUMDWXSK-UHFFFAOYSA-N 0 0 383.448 4.210 20 5 GIBDRN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc([N+](=O)[O-])o1 ZINC000180189146 822635591 /nfs/dbraw/zinc/63/55/91/822635591.db2.gz AQOQRMVVDHBDOM-UHFFFAOYSA-N 0 0 376.328 4.176 20 5 GIBDRN Cc1nc([C@H](NCc2cc([N+](=O)[O-])ccc2Cl)c2ccc(Cl)cc2)no1 ZINC000180195431 822637036 /nfs/dbraw/zinc/63/70/36/822637036.db2.gz KWZALARNGPZXCR-MRXNPFEDSA-N 0 0 393.230 4.472 20 5 GIBDRN CC[C@@H](C)c1ncc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000455349053 822638157 /nfs/dbraw/zinc/63/81/57/822638157.db2.gz RKFVYTYUJDMXBJ-GDBMZVCRSA-N 0 0 383.452 4.310 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000180202274 822638518 /nfs/dbraw/zinc/63/85/18/822638518.db2.gz LNUDKJNMJYCTLP-AWEZNQCLSA-N 0 0 386.473 4.391 20 5 GIBDRN Cc1c(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000455352723 822638762 /nfs/dbraw/zinc/63/87/62/822638762.db2.gz JZUIBKHARMGALF-CJNGLKHVSA-N 0 0 394.269 4.318 20 5 GIBDRN O=C(Nc1cccc(-c2cnco2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000048205564 822645104 /nfs/dbraw/zinc/64/51/04/822645104.db2.gz HDWMKUHKAVBFKI-UHFFFAOYSA-N 0 0 392.415 4.105 20 5 GIBDRN NC(=O)c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])c1 ZINC000184510831 822647986 /nfs/dbraw/zinc/64/79/86/822647986.db2.gz JGSKDLACJOUECQ-UHFFFAOYSA-N 0 0 389.433 4.249 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000455417493 822650084 /nfs/dbraw/zinc/65/00/84/822650084.db2.gz QCHZOSDXBRGOBA-LPHOPBHVSA-N 0 0 398.463 4.329 20 5 GIBDRN CC(C)COC[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184532321 822652152 /nfs/dbraw/zinc/65/21/52/822652152.db2.gz FYZDOJVYYUMWTG-INIZCTEOSA-N 0 0 395.843 4.054 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1Br ZINC000184559598 822657415 /nfs/dbraw/zinc/65/74/15/822657415.db2.gz FGYUWHVBTZVJMR-LLVKDONJSA-N 0 0 393.237 4.165 20 5 GIBDRN C[C@H]1CC[C@@H](CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)O1 ZINC000180295084 822658056 /nfs/dbraw/zinc/65/80/56/822658056.db2.gz QTBMRGCNOGRCEH-STQMWFEESA-N 0 0 375.450 4.029 20 5 GIBDRN CC(C)CN(C(=O)c1ccncc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180299667 822659180 /nfs/dbraw/zinc/65/91/80/822659180.db2.gz DAMONQVKRSIDKQ-UHFFFAOYSA-N 0 0 382.445 4.416 20 5 GIBDRN CC(C)CN(C(=O)c1ccccn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180300122 822659408 /nfs/dbraw/zinc/65/94/08/822659408.db2.gz 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COc1ccc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000048720689 822679610 /nfs/dbraw/zinc/67/96/10/822679610.db2.gz BGSUNNBKGKMJAV-UHFFFAOYSA-N 0 0 390.244 4.025 20 5 GIBDRN C[C@@H](NCc1csc(CC(=O)Nc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180425805 822679758 /nfs/dbraw/zinc/67/97/58/822679758.db2.gz HXBJHXWNCLTVMP-CQSZACIVSA-N 0 0 396.472 4.083 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000048734896 822680087 /nfs/dbraw/zinc/68/00/87/822680087.db2.gz KFNHFUXPPXHICP-SNVBAGLBSA-N 0 0 396.230 4.026 20 5 GIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448291 822684032 /nfs/dbraw/zinc/68/40/32/822684032.db2.gz KKEMRMPMUVGSIX-CHWSQXEVSA-N 0 0 395.415 4.221 20 5 GIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448254 822684044 /nfs/dbraw/zinc/68/40/44/822684044.db2.gz KKEMRMPMUVGSIX-OLZOCXBDSA-N 0 0 395.415 4.221 20 5 GIBDRN CCc1c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]c1-c1ccncc1 ZINC000184753699 822686279 /nfs/dbraw/zinc/68/62/79/822686279.db2.gz SVLCRPGQWKFCAT-HNNXBMFYSA-N 0 0 393.447 4.150 20 5 GIBDRN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(C)cs1 ZINC000184755395 822686423 /nfs/dbraw/zinc/68/64/23/822686423.db2.gz MEAPRJCPFGUFJX-SNVBAGLBSA-N 0 0 384.255 4.003 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC ZINC000184767124 822688275 /nfs/dbraw/zinc/68/82/75/822688275.db2.gz LVJPZVCAUMYWCR-RDJZCZTQSA-N 0 0 394.475 4.411 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC ZINC000184767144 822688300 /nfs/dbraw/zinc/68/83/00/822688300.db2.gz LVJPZVCAUMYWCR-DOTOQJQBSA-N 0 0 394.475 4.411 20 5 GIBDRN CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000048976111 822690181 /nfs/dbraw/zinc/69/01/81/822690181.db2.gz OBHHSRYEIUGBBO-QGZVFWFLSA-N 0 0 389.839 4.090 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000184838646 822698197 /nfs/dbraw/zinc/69/81/97/822698197.db2.gz HYNUWJBRPYZNQA-HNNXBMFYSA-N 0 0 387.505 4.157 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000184871329 822704546 /nfs/dbraw/zinc/70/45/46/822704546.db2.gz PRJWBQXSCGIKGM-HXUWFJFHSA-N 0 0 390.505 4.130 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccn1 ZINC000180575776 822705171 /nfs/dbraw/zinc/70/51/71/822705171.db2.gz WXYLTLFIDKSKOB-UHFFFAOYSA-N 0 0 397.356 4.207 20 5 GIBDRN O=C(Nc1ncc(-c2ccccc2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049697256 822705742 /nfs/dbraw/zinc/70/57/42/822705742.db2.gz TYYJBEITTXBZSM-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184901397 822710016 /nfs/dbraw/zinc/71/00/16/822710016.db2.gz NRNWHKGFDWGHPB-LBPRGKRZSA-N 0 0 383.354 4.051 20 5 GIBDRN Cn1c(COc2c(Cl)cccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000184920366 822713263 /nfs/dbraw/zinc/71/32/63/822713263.db2.gz CQLGRVXMXYDUDM-UHFFFAOYSA-N 0 0 379.203 4.276 20 5 GIBDRN 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ZINC000050256783 822723064 /nfs/dbraw/zinc/72/30/64/822723064.db2.gz UMVQGMBRYFDYHD-UHFFFAOYSA-N 0 0 379.319 4.388 20 5 GIBDRN CC(C)Oc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000455772358 822723732 /nfs/dbraw/zinc/72/37/32/822723732.db2.gz SUJWUCBIVNDJJJ-UHFFFAOYSA-N 0 0 399.447 4.457 20 5 GIBDRN Cc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cccc1[N+](=O)[O-] ZINC000050292813 822724137 /nfs/dbraw/zinc/72/41/37/822724137.db2.gz PYJSIZBJWIJQBI-UHFFFAOYSA-N 0 0 384.373 4.187 20 5 GIBDRN O=C(Nc1ccc(-c2nnco2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050310777 822724812 /nfs/dbraw/zinc/72/48/12/822724812.db2.gz MIYZSBZWVHOPCQ-UHFFFAOYSA-N 0 0 393.384 4.021 20 5 GIBDRN Cc1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 ZINC000050315788 822725440 /nfs/dbraw/zinc/72/54/40/822725440.db2.gz OBFCTENHVFCUSF-UHFFFAOYSA-N 0 0 394.383 4.148 20 5 GIBDRN CC(=O)Nc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1C ZINC000050317707 822725577 /nfs/dbraw/zinc/72/55/77/822725577.db2.gz 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822754425 /nfs/dbraw/zinc/75/44/25/822754425.db2.gz LUIREMROCDXAFP-BREXMAIKSA-N 0 0 388.380 4.091 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000185262884 822756424 /nfs/dbraw/zinc/75/64/24/822756424.db2.gz UJEFSCJVQGVIQI-KRWDZBQOSA-N 0 0 397.475 4.249 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000185292598 822760792 /nfs/dbraw/zinc/76/07/92/822760792.db2.gz IXWWJHYKYYCGRP-MJGOQNOKSA-N 0 0 382.460 4.188 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000185350799 822769603 /nfs/dbraw/zinc/76/96/03/822769603.db2.gz JVEVPKHPTXNMPI-QGZVFWFLSA-N 0 0 397.475 4.249 20 5 GIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051646003 822770836 /nfs/dbraw/zinc/77/08/36/822770836.db2.gz JPJUJZBTGNBVAW-OAHLLOKOSA-N 0 0 398.463 4.172 20 5 GIBDRN C[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000456108227 822778637 /nfs/dbraw/zinc/77/86/37/822778637.db2.gz 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384.432 4.010 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc(Br)cn3)o2)cc1 ZINC000052914827 822815492 /nfs/dbraw/zinc/81/54/92/822815492.db2.gz JJQXVIGGHDBXCY-UHFFFAOYSA-N 0 0 393.222 4.095 20 5 GIBDRN Cc1ccc2nc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000052934664 822816175 /nfs/dbraw/zinc/81/61/75/822816175.db2.gz ICHAFHLIPCZDOF-UHFFFAOYSA-N 0 0 393.428 4.166 20 5 GIBDRN Cc1csc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000052932863 822816200 /nfs/dbraw/zinc/81/62/00/822816200.db2.gz IXCJOFSIYDVGBV-GFCCVEGCSA-N 0 0 383.433 4.180 20 5 GIBDRN Cc1cnc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000052953112 822816729 /nfs/dbraw/zinc/81/67/29/822816729.db2.gz VNCDNTHCXKZHEY-GFCCVEGCSA-N 0 0 383.433 4.180 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F ZINC000456575659 822817549 /nfs/dbraw/zinc/81/75/49/822817549.db2.gz MUGBFKFYGFLAMW-NWDGAFQWSA-N 0 0 384.276 4.249 20 5 GIBDRN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cn(C)c2ccccc12 ZINC000185763696 822818962 /nfs/dbraw/zinc/81/89/62/822818962.db2.gz GJGAYAGNCLESHE-OAHLLOKOSA-N 0 0 377.444 4.381 20 5 GIBDRN CO[C@H]([C@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CC1 ZINC000456620373 822819709 /nfs/dbraw/zinc/81/97/09/822819709.db2.gz NZJLLUWASMOOFC-ORAYPTAESA-N 0 0 386.473 4.289 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NC2(C3(C)CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000456635796 822820178 /nfs/dbraw/zinc/82/01/78/822820178.db2.gz ACGZCAMLRDMVJP-AWEZNQCLSA-N 0 0 380.448 4.225 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456641680 822820335 /nfs/dbraw/zinc/82/03/35/822820335.db2.gz HBGARUFBISBQSN-LJQANCHMSA-N 0 0 378.432 4.158 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cc(COc3ccccc3F)on2)cc1[N+](=O)[O-] ZINC000185782966 822820815 /nfs/dbraw/zinc/82/08/15/822820815.db2.gz MQNJSSCPWWXCIT-CYBMUJFWSA-N 0 0 399.378 4.100 20 5 GIBDRN COc1ccc2cc([C@H](C)C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000053214981 822826260 /nfs/dbraw/zinc/82/62/60/822826260.db2.gz CVUKPQUTGUGDBU-HNNXBMFYSA-N 0 0 378.428 4.219 20 5 GIBDRN Cc1nc2cc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000456725981 822827247 /nfs/dbraw/zinc/82/72/47/822827247.db2.gz SHQRBVJIOUNYGP-ZDUSSCGKSA-N 0 0 396.447 4.182 20 5 GIBDRN O=C(NCCC[C@H]1CCOC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000456758319 822829490 /nfs/dbraw/zinc/82/94/90/822829490.db2.gz IIDFGMJWHHRZQY-HNNXBMFYSA-N 0 0 386.473 4.293 20 5 GIBDRN COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(C)C ZINC000053335371 822830891 /nfs/dbraw/zinc/83/08/91/822830891.db2.gz OJTQQNJPPIPTNW-UHFFFAOYSA-N 0 0 392.839 4.316 20 5 GIBDRN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)on1 ZINC000053400050 822832989 /nfs/dbraw/zinc/83/29/89/822832989.db2.gz XXHVTFZOGAJIKI-SFHVURJKSA-N 0 0 398.463 4.105 20 5 GIBDRN Cc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000053420619 822834130 /nfs/dbraw/zinc/83/41/30/822834130.db2.gz JNLPELAOIPNDDQ-MRXNPFEDSA-N 0 0 390.443 4.401 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000456820375 822834974 /nfs/dbraw/zinc/83/49/74/822834974.db2.gz GPRVQNGZKCTKSO-MRXNPFEDSA-N 0 0 386.926 4.086 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NCc2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053455841 822835733 /nfs/dbraw/zinc/83/57/33/822835733.db2.gz NXSOFLJOMHELHN-AWEZNQCLSA-N 0 0 394.406 4.232 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185960751 822837958 /nfs/dbraw/zinc/83/79/58/822837958.db2.gz JYCPHBMAJWNRLU-UHFFFAOYSA-N 0 0 379.420 4.427 20 5 GIBDRN CCOc1ccccc1-c1nnc(SCCOc2ccccc2[N+](=O)[O-])o1 ZINC000053539276 822839697 /nfs/dbraw/zinc/83/96/97/822839697.db2.gz JHAHFQVDWUFZER-UHFFFAOYSA-N 0 0 387.417 4.215 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)c1 ZINC000456941014 822843210 /nfs/dbraw/zinc/84/32/10/822843210.db2.gz IXBMOLRTZHLZPI-SAABIXHNSA-N 0 0 395.459 4.196 20 5 GIBDRN COc1ccc(CCCN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000186011976 822843798 /nfs/dbraw/zinc/84/37/98/822843798.db2.gz DFRQXXZLJCLATD-UHFFFAOYSA-N 0 0 391.855 4.031 20 5 GIBDRN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000053754684 822847211 /nfs/dbraw/zinc/84/72/11/822847211.db2.gz AIXCMRUXKCUGNL-UHFFFAOYSA-N 0 0 389.839 4.118 20 5 GIBDRN Cc1cccnc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053760671 822847387 /nfs/dbraw/zinc/84/73/87/822847387.db2.gz KHSYYLWJTSCWPI-CQSZACIVSA-N 0 0 377.404 4.119 20 5 GIBDRN CCOc1ccc2c(c1)[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000186061112 822848292 /nfs/dbraw/zinc/84/82/92/822848292.db2.gz CXUSRNMGTNSYHI-GOSISDBHSA-N 0 0 399.447 4.052 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000457074455 822850217 /nfs/dbraw/zinc/85/02/17/822850217.db2.gz HJEZXLKVUFXDJH-OAHLLOKOSA-N 0 0 380.510 4.232 20 5 GIBDRN O=c1[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccc(Br)cc12 ZINC000053849322 822850765 /nfs/dbraw/zinc/85/07/65/822850765.db2.gz WCDNJPZSBHJLHH-UHFFFAOYSA-N 0 0 380.585 4.327 20 5 GIBDRN CCOc1cc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000457157838 822857842 /nfs/dbraw/zinc/85/78/42/822857842.db2.gz DIJWOHMCBYNGBG-SFHVURJKSA-N 0 0 376.453 4.043 20 5 GIBDRN COc1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C ZINC000186228325 822862891 /nfs/dbraw/zinc/86/28/91/822862891.db2.gz UCILSCQQGOXWEG-UHFFFAOYSA-N 0 0 393.827 4.366 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc([N+](=O)[O-])c1 ZINC000457328467 822866642 /nfs/dbraw/zinc/86/66/42/822866642.db2.gz MZPLRKBGFTXKJQ-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)c1cccc(OC)c1 ZINC000569028841 822871074 /nfs/dbraw/zinc/87/10/74/822871074.db2.gz SVOADWOIAHNRPY-GFCCVEGCSA-N 0 0 378.375 4.034 20 5 GIBDRN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000186288044 822871162 /nfs/dbraw/zinc/87/11/62/822871162.db2.gz MNVQUYOYLMJRHZ-UHFFFAOYSA-N 0 0 399.882 4.454 20 5 GIBDRN Cc1sc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000054313983 822875180 /nfs/dbraw/zinc/87/51/80/822875180.db2.gz DKYYTCKXLKOYKL-UHFFFAOYSA-N 0 0 394.880 4.096 20 5 GIBDRN COc1cccc(C=C2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000569063221 822875652 /nfs/dbraw/zinc/87/56/52/822875652.db2.gz GQPXGHSIHDUWBX-MRXNPFEDSA-N 0 0 380.444 4.413 20 5 GIBDRN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1ccccn1 ZINC000186319660 822875788 /nfs/dbraw/zinc/87/57/88/822875788.db2.gz FSLONHYWCJYKGC-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c1[N+](=O)[O-] ZINC000186345869 822879183 /nfs/dbraw/zinc/87/91/83/822879183.db2.gz NRDAHYMXKPYLKR-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175093347 822880989 /nfs/dbraw/zinc/88/09/89/822880989.db2.gz BFRVFLMFABHIHE-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175096093 822881667 /nfs/dbraw/zinc/88/16/67/822881667.db2.gz MVKJVQPPVKAEBQ-UHFFFAOYSA-N 0 0 382.323 4.318 20 5 GIBDRN CC(C)c1nn(C)c2sc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)cc12 ZINC000175099815 822882095 /nfs/dbraw/zinc/88/20/95/822882095.db2.gz NPBTZAHPUXSTAI-UHFFFAOYSA-N 0 0 380.376 4.197 20 5 GIBDRN COc1ccc2cc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])ccc2c1 ZINC000054449408 822886820 /nfs/dbraw/zinc/88/68/20/822886820.db2.gz JMGPSHSLCXHEPO-UHFFFAOYSA-N 0 0 391.427 4.261 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccnn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000186429861 822893606 /nfs/dbraw/zinc/89/36/06/822893606.db2.gz JJSUIKCGCGIHTJ-UHFFFAOYSA-N 0 0 382.445 4.008 20 5 GIBDRN C[C@@]1(CCc2ccccc2)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000569218994 822894031 /nfs/dbraw/zinc/89/40/31/822894031.db2.gz HVBHGONIPDHNGH-OAQYLSRUSA-N 0 0 378.432 4.093 20 5 GIBDRN CSc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c1[N+](=O)[O-] ZINC000186450479 822897642 /nfs/dbraw/zinc/89/76/42/822897642.db2.gz YWMLZOHFOWEBQE-UHFFFAOYSA-N 0 0 392.487 4.457 20 5 GIBDRN Cc1ccc([C@@H](C)NCc2nnc(-c3ccc(Cl)cc3)n2C)cc1[N+](=O)[O-] ZINC000186465624 822899789 /nfs/dbraw/zinc/89/97/89/822899789.db2.gz PDOBHHFWTLQGEJ-CYBMUJFWSA-N 0 0 385.855 4.203 20 5 GIBDRN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175185526 822900211 /nfs/dbraw/zinc/90/02/11/822900211.db2.gz KALAKDJUMSNZLL-UHFFFAOYSA-N 0 0 381.310 4.133 20 5 GIBDRN Cc1cc(NCc2cc(COC(C)(C)C)on2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186473619 822901039 /nfs/dbraw/zinc/90/10/39/822901039.db2.gz PINVMPNLECIKDI-UHFFFAOYSA-N 0 0 397.435 4.275 20 5 GIBDRN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000054665693 822902256 /nfs/dbraw/zinc/90/22/56/822902256.db2.gz WZGATGNWOFZJOC-SFHVURJKSA-N 0 0 378.432 4.157 20 5 GIBDRN C[C@H](c1ccccc1F)N1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000569330569 822908617 /nfs/dbraw/zinc/90/86/17/822908617.db2.gz OWYABTLAMPPTCE-PXAZEXFGSA-N 0 0 375.375 4.037 20 5 GIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186527457 822908817 /nfs/dbraw/zinc/90/88/17/822908817.db2.gz FVTGAIXFPBXHFR-DIFFPNOSSA-N 0 0 394.880 4.476 20 5 GIBDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186527438 822908913 /nfs/dbraw/zinc/90/89/13/822908913.db2.gz FVTGAIXFPBXHFR-GTNSWQLSSA-N 0 0 394.880 4.476 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000175243644 822912547 /nfs/dbraw/zinc/91/25/47/822912547.db2.gz CZWQYQCFSDAEPM-AWEZNQCLSA-N 0 0 386.370 4.177 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000175243662 822912560 /nfs/dbraw/zinc/91/25/60/822912560.db2.gz CZWQYQCFSDAEPM-CQSZACIVSA-N 0 0 386.370 4.177 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000186570034 822915275 /nfs/dbraw/zinc/91/52/75/822915275.db2.gz SIAKDAPVMKTMKL-NSHDSACASA-N 0 0 379.507 4.477 20 5 GIBDRN O=[N+]([O-])c1cc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)cs1 ZINC000569410883 822918638 /nfs/dbraw/zinc/91/86/38/822918638.db2.gz MQQAVIYBSCUPGF-UHFFFAOYSA-N 0 0 376.869 4.209 20 5 GIBDRN Cc1cc(Br)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000457788379 822919542 /nfs/dbraw/zinc/91/95/42/822919542.db2.gz MQGUQRZRJYWHDW-UHFFFAOYSA-N 0 0 383.267 4.042 20 5 GIBDRN Cc1cccc2c1N(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCC2 ZINC000054887979 822920218 /nfs/dbraw/zinc/92/02/18/822920218.db2.gz NAPROBXJYWKGRH-UHFFFAOYSA-N 0 0 382.463 4.443 20 5 GIBDRN O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000054899355 822920704 /nfs/dbraw/zinc/92/07/04/822920704.db2.gz WXYPSPCTUHQPQV-UHFFFAOYSA-N 0 0 375.381 4.345 20 5 GIBDRN Cc1cc(Br)c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000457811959 822921781 /nfs/dbraw/zinc/92/17/81/822921781.db2.gz MVCOWKCMZQWTKO-UHFFFAOYSA-N 0 0 383.267 4.392 20 5 GIBDRN C[C@@H](NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000457859720 822926225 /nfs/dbraw/zinc/92/62/25/822926225.db2.gz WITQZXILEYONRF-AUUYWEPGSA-N 0 0 393.447 4.469 20 5 GIBDRN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000055005676 822930047 /nfs/dbraw/zinc/93/00/47/822930047.db2.gz RLPZXHHTCVGASH-GFCCVEGCSA-N 0 0 382.338 4.260 20 5 GIBDRN CCSCC[C@@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000175307092 822930865 /nfs/dbraw/zinc/93/08/65/822930865.db2.gz RSCZPAPYAVONMV-SNVBAGLBSA-N 0 0 377.413 4.192 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000569510671 822932130 /nfs/dbraw/zinc/93/21/30/822932130.db2.gz NLZGDJYPCGLWRH-LBPRGKRZSA-N 0 0 386.166 4.296 20 5 GIBDRN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000457916507 822935030 /nfs/dbraw/zinc/93/50/30/822935030.db2.gz KILWDWSQZJQJES-MRVPVSSYSA-N 0 0 385.367 4.050 20 5 GIBDRN CCOc1cc(F)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152872 822941493 /nfs/dbraw/zinc/94/14/93/822941493.db2.gz OOLMWZPICUODHH-SNVBAGLBSA-N 0 0 381.791 4.225 20 5 GIBDRN CCCOc1cc(C)ccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000055154187 822942024 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381.354 4.301 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(F)cc3Br)n2)s1 ZINC000569623132 822946334 /nfs/dbraw/zinc/94/63/34/822946334.db2.gz FQDSHCZTNIVOAN-UHFFFAOYSA-N 0 0 384.186 4.199 20 5 GIBDRN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000569675094 822953857 /nfs/dbraw/zinc/95/38/57/822953857.db2.gz OHJUZJBNLDMWDF-UHFFFAOYSA-N 0 0 382.338 4.218 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458104619 822958696 /nfs/dbraw/zinc/95/86/96/822958696.db2.gz WTGDLDWHBJOTID-PZJWPPBQSA-N 0 0 390.443 4.189 20 5 GIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175399376 822959231 /nfs/dbraw/zinc/95/92/31/822959231.db2.gz QHKFIRSAVDAMSI-GFCCVEGCSA-N 0 0 375.400 4.038 20 5 GIBDRN CCOc1ccc([C@@H](C)NCc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186820763 822960987 /nfs/dbraw/zinc/96/09/87/822960987.db2.gz WAWCBAPKNMJGDN-CYBMUJFWSA-N 0 0 377.441 4.147 20 5 GIBDRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 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ZINC000175726243 823027666 /nfs/dbraw/zinc/02/76/66/823027666.db2.gz JIWMVNGBPVUROX-APWZRJJASA-N 0 0 379.460 4.213 20 5 GIBDRN O=C(N[C@H]1CCc2cc(Cl)ccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055733759 823034586 /nfs/dbraw/zinc/03/45/86/823034586.db2.gz LCNSMPGFFIHIJP-SFHVURJKSA-N 0 0 399.878 4.268 20 5 GIBDRN CC(C)c1ccc(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000570418555 823035097 /nfs/dbraw/zinc/03/50/97/823035097.db2.gz DLVZTEARMBHXOS-NRFANRHFSA-N 0 0 378.476 4.373 20 5 GIBDRN CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000175771408 823036553 /nfs/dbraw/zinc/03/65/53/823036553.db2.gz ZMCOENUPCFJNRT-NSHDSACASA-N 0 0 384.255 4.003 20 5 GIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055753028 823037103 /nfs/dbraw/zinc/03/71/03/823037103.db2.gz OPQLOMMCBKMBCP-UHFFFAOYSA-N 0 0 381.432 4.028 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])s1 ZINC000175774360 823037180 /nfs/dbraw/zinc/03/71/80/823037180.db2.gz QNOBPKOYRMHPIS-AWEZNQCLSA-N 0 0 391.449 4.169 20 5 GIBDRN O=C(Nc1ccccc1CN1CCSCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175785594 823039736 /nfs/dbraw/zinc/03/97/36/823039736.db2.gz GUUHNTKUXDVVMP-UHFFFAOYSA-N 0 0 391.880 4.049 20 5 GIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000175796358 823042477 /nfs/dbraw/zinc/04/24/77/823042477.db2.gz PWBVUVITMDLIET-LBPRGKRZSA-N 0 0 384.823 4.233 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000060555484 823541876 /nfs/dbraw/zinc/54/18/76/823541876.db2.gz WBUKGCPZRVKACI-MRXNPFEDSA-N 0 0 396.428 4.039 20 5 GIBDRN CC1(C)CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000190170452 823545690 /nfs/dbraw/zinc/54/56/90/823545690.db2.gz QXVYJMGUTIHERR-CYBMUJFWSA-N 0 0 384.358 4.055 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)cc1SC ZINC000411114903 823548942 /nfs/dbraw/zinc/54/89/42/823548942.db2.gz POMHXSZWZULPMH-LBPRGKRZSA-N 0 0 392.452 4.168 20 5 GIBDRN Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123922827 823551871 /nfs/dbraw/zinc/55/18/71/823551871.db2.gz MPBVZEBTXQLZTE-NSHDSACASA-N 0 0 377.784 4.298 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190220222 823552146 /nfs/dbraw/zinc/55/21/46/823552146.db2.gz RGQBCZZUKIXZEE-KXBFYZLASA-N 0 0 386.473 4.214 20 5 GIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000123940966 823553688 /nfs/dbraw/zinc/55/36/88/823553688.db2.gz INNCSPCPKABADJ-ZDUSSCGKSA-N 0 0 387.461 4.371 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000123943262 823553778 /nfs/dbraw/zinc/55/37/78/823553778.db2.gz ARVITMXXYCCALN-RTWAWAEBSA-N 0 0 382.460 4.032 20 5 GIBDRN CCC(CC)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccs1 ZINC000123963715 823555951 /nfs/dbraw/zinc/55/59/51/823555951.db2.gz YNQBZXQXRXDOND-KRWDZBQOSA-N 0 0 389.477 4.197 20 5 GIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 ZINC000060777410 823556774 /nfs/dbraw/zinc/55/67/74/823556774.db2.gz LWRJVXOUSNBBRY-UHFFFAOYSA-N 0 0 399.410 4.023 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000411224604 823558690 /nfs/dbraw/zinc/55/86/90/823558690.db2.gz LJQPKSFFHMJAAI-LJQANCHMSA-N 0 0 383.448 4.006 20 5 GIBDRN Cc1cccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000123999052 823558961 /nfs/dbraw/zinc/55/89/61/823558961.db2.gz SMGXQYNWDNCPRS-UHFFFAOYSA-N 0 0 399.447 4.223 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(CCC(C)C)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000060817726 823559518 /nfs/dbraw/zinc/55/95/18/823559518.db2.gz FNQITFISBFPIOM-UHFFFAOYSA-N 0 0 384.480 4.107 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000411243939 823560026 /nfs/dbraw/zinc/56/00/26/823560026.db2.gz HCLCATCKSZLNCD-LBPRGKRZSA-N 0 0 378.375 4.493 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)NC1(c2ccccc2)CCC1 ZINC000060823328 823560052 /nfs/dbraw/zinc/56/00/52/823560052.db2.gz PBOCSEXFHNHOFP-UHFFFAOYSA-N 0 0 394.349 4.188 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000124021362 823560654 /nfs/dbraw/zinc/56/06/54/823560654.db2.gz ITSLLPXRTUYUPM-CTNGQTDRSA-N 0 0 382.460 4.032 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1cc2ccccc2o1 ZINC000124031350 823561398 /nfs/dbraw/zinc/56/13/98/823561398.db2.gz XUHZZHKKMWLOFO-UHFFFAOYSA-N 0 0 396.446 4.260 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1F ZINC000411330441 823564791 /nfs/dbraw/zinc/56/47/91/823564791.db2.gz VLAHCTWAZJHDBY-OAHLLOKOSA-N 0 0 392.814 4.302 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnccc1-c1cccc(F)c1 ZINC000124075013 823565307 /nfs/dbraw/zinc/56/53/07/823565307.db2.gz OBYUWNYJFMXRJX-UHFFFAOYSA-N 0 0 390.374 4.458 20 5 GIBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000411356912 823566099 /nfs/dbraw/zinc/56/60/99/823566099.db2.gz LSRLERLIDYIBOG-XFBWCDHKSA-N 0 0 376.359 4.177 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190358148 823566168 /nfs/dbraw/zinc/56/61/68/823566168.db2.gz JCLQUAPRZPDVJG-ZDUSSCGKSA-N 0 0 375.347 4.046 20 5 GIBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N(c1ccccn1)C1CCCC1 ZINC000190408129 823569998 /nfs/dbraw/zinc/56/99/98/823569998.db2.gz MTUAWSAABUGCOF-UHFFFAOYSA-N 0 0 390.237 4.342 20 5 GIBDRN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000124144233 823571587 /nfs/dbraw/zinc/57/15/87/823571587.db2.gz JONXRWXENJNUMD-CHWSQXEVSA-N 0 0 396.321 4.244 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000124150536 823572107 /nfs/dbraw/zinc/57/21/07/823572107.db2.gz OAEUBEDGWGNTSJ-VXGBXAGGSA-N 0 0 384.285 4.375 20 5 GIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411432145 823573600 /nfs/dbraw/zinc/57/36/00/823573600.db2.gz YLIALMWTFDTFSY-ZWKOTPCHSA-N 0 0 381.432 4.240 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000124201523 823576922 /nfs/dbraw/zinc/57/69/22/823576922.db2.gz ISSZHSMOXUZJBL-BDJLRTHQSA-N 0 0 399.403 4.333 20 5 GIBDRN CCOc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl ZINC000124237520 823579986 /nfs/dbraw/zinc/57/99/86/823579986.db2.gz QNLBBOVEJVFEDU-UHFFFAOYSA-N 0 0 375.812 4.237 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000411500434 823581906 /nfs/dbraw/zinc/58/19/06/823581906.db2.gz SVPFVJYIWZCXJS-DOTOQJQBSA-N 0 0 395.846 4.418 20 5 GIBDRN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1)C1CCCCC1 ZINC000461130874 823584059 /nfs/dbraw/zinc/58/40/59/823584059.db2.gz WLKVGALQMFHESW-IBGZPJMESA-N 0 0 399.495 4.191 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000061205521 823584494 /nfs/dbraw/zinc/58/44/94/823584494.db2.gz UWRLBCNXKRBCKJ-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000124307855 823586088 /nfs/dbraw/zinc/58/60/88/823586088.db2.gz CVRPBUBHTQYMMS-MRXNPFEDSA-N 0 0 398.337 4.036 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000124362241 823590299 /nfs/dbraw/zinc/59/02/99/823590299.db2.gz VGQGBWYOCIGXCO-UHFFFAOYSA-N 0 0 391.855 4.255 20 5 GIBDRN COc1cc(CNc2ccc3ccn(C)c3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190603642 823590551 /nfs/dbraw/zinc/59/05/51/823590551.db2.gz ZIYFPTGXEUQIIX-UHFFFAOYSA-N 0 0 391.374 4.351 20 5 GIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](CCCO)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000124371835 823591155 /nfs/dbraw/zinc/59/11/55/823591155.db2.gz NQBRXUWSPZGKDS-FQEVSTJZSA-N 0 0 396.443 4.467 20 5 GIBDRN O=C(CCCc1nc(C2CC2)no1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000124380983 823591869 /nfs/dbraw/zinc/59/18/69/823591869.db2.gz MDASZGLNNMJKRC-UHFFFAOYSA-N 0 0 393.399 4.451 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(-c3ncco3)ccc2C)c1 ZINC000124464094 823598972 /nfs/dbraw/zinc/59/89/72/823598972.db2.gz FDQDPJGJFOXEMI-UHFFFAOYSA-N 0 0 381.388 4.274 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461213026 823599828 /nfs/dbraw/zinc/59/98/28/823599828.db2.gz SUHYFOAIVZOONE-UHFFFAOYSA-N 0 0 392.377 4.394 20 5 GIBDRN CCCN(C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000411725345 823600373 /nfs/dbraw/zinc/60/03/73/823600373.db2.gz WESRCGSCNGHUNS-KRWDZBQOSA-N 0 0 386.423 4.211 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000190723935 823602256 /nfs/dbraw/zinc/60/22/56/823602256.db2.gz KPZFWVODTHVNOF-MRXNPFEDSA-N 0 0 399.413 4.246 20 5 GIBDRN Cc1nc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)cs1 ZINC000190724687 823602434 /nfs/dbraw/zinc/60/24/34/823602434.db2.gz NTASJZBTPSYCJM-GFCCVEGCSA-N 0 0 396.266 4.100 20 5 GIBDRN O=[N+]([O-])c1cnn(CCSCc2cc(Cl)ccc2Br)c1 ZINC000461241063 823602875 /nfs/dbraw/zinc/60/28/75/823602875.db2.gz GOMCOYQHITWTJM-UHFFFAOYSA-N 0 0 376.663 4.141 20 5 GIBDRN Cc1cccc(OC(F)F)c1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124530180 823604089 /nfs/dbraw/zinc/60/40/89/823604089.db2.gz ITMHKMUJDGXULI-UHFFFAOYSA-N 0 0 377.347 4.095 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000124533462 823604192 /nfs/dbraw/zinc/60/41/92/823604192.db2.gz LQNNXCOVZBLLGX-YLJYHZDGSA-N 0 0 397.475 4.149 20 5 GIBDRN COc1ccc(-c2ccc(CNc3cnn(-c4ccccn4)c3)o2)c([N+](=O)[O-])c1 ZINC000124556603 823606313 /nfs/dbraw/zinc/60/63/13/823606313.db2.gz JHGGPHMUYYIMHB-UHFFFAOYSA-N 0 0 391.387 4.056 20 5 GIBDRN COc1cccc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000411804650 823606414 /nfs/dbraw/zinc/60/64/14/823606414.db2.gz XFIZMMGHVCKARB-LEWJYISDSA-N 0 0 380.444 4.113 20 5 GIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000411827028 823609121 /nfs/dbraw/zinc/60/91/21/823609121.db2.gz LCPQHDGASMORFK-MOPGFXCFSA-N 0 0 395.459 4.027 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000061733065 823609820 /nfs/dbraw/zinc/60/98/20/823609820.db2.gz KVSGHHABXJOWMR-QGZVFWFLSA-N 0 0 395.419 4.157 20 5 GIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411829882 823609881 /nfs/dbraw/zinc/60/98/81/823609881.db2.gz WBNWFMZQOSTMCV-LISAXSMJSA-N 0 0 390.361 4.389 20 5 GIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC2(CCC2(F)F)C1 ZINC000461276901 823610975 /nfs/dbraw/zinc/61/09/75/823610975.db2.gz NXJNHHURSAYGGH-UHFFFAOYSA-N 0 0 387.386 4.078 20 5 GIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000461289246 823612230 /nfs/dbraw/zinc/61/22/30/823612230.db2.gz GHVFMKBCAIKRSQ-MRXNPFEDSA-N 0 0 379.416 4.082 20 5 GIBDRN CC(C)Oc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000411882083 823612478 /nfs/dbraw/zinc/61/24/78/823612478.db2.gz ROSGKKBUFJSMAO-QUCCMNQESA-N 0 0 384.432 4.032 20 5 GIBDRN Cc1cc(-n2cccn2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190823315 823613191 /nfs/dbraw/zinc/61/31/91/823613191.db2.gz GTTBUUDCCFPUFE-UHFFFAOYSA-N 0 0 391.431 4.285 20 5 GIBDRN CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1Cc1cccs1 ZINC000461323575 823617514 /nfs/dbraw/zinc/61/75/14/823617514.db2.gz ORLLKDCTQMEBBX-UHFFFAOYSA-N 0 0 397.504 4.057 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000124698341 823618569 /nfs/dbraw/zinc/61/85/69/823618569.db2.gz OUZVFSWONNYFPQ-QWHCGFSZSA-N 0 0 380.322 4.364 20 5 GIBDRN CCSc1ccc([C@@H](C)NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC000412000165 823620236 /nfs/dbraw/zinc/62/02/36/823620236.db2.gz UQQRXMDACATYLF-GFCCVEGCSA-N 0 0 392.452 4.274 20 5 GIBDRN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](c3ccccc3)C3(CO)CCCCC3)nc2c1 ZINC000412010220 823622284 /nfs/dbraw/zinc/62/22/84/823622284.db2.gz PSHRWTAEBHSBKL-NRFANRHFSA-N 0 0 394.475 4.245 20 5 GIBDRN CCOc1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412015367 823622834 /nfs/dbraw/zinc/62/28/34/823622834.db2.gz SKSQLLSJRLLLEK-OAQYLSRUSA-N 0 0 382.460 4.347 20 5 GIBDRN CSCc1cc(F)ccc1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000124752772 823623399 /nfs/dbraw/zinc/62/33/99/823623399.db2.gz QVIDNTMZMPHIEM-UHFFFAOYSA-N 0 0 380.466 4.249 20 5 GIBDRN O=C(CCCc1nc(-c2cccs2)no1)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124791376 823626515 /nfs/dbraw/zinc/62/65/15/823626515.db2.gz QFGQHURBEXJAQM-UHFFFAOYSA-N 0 0 393.808 4.288 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000124811138 823628083 /nfs/dbraw/zinc/62/80/83/823628083.db2.gz SNMLBKYTISNSMJ-UHFFFAOYSA-N 0 0 377.278 4.136 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412125197 823628147 /nfs/dbraw/zinc/62/81/47/823628147.db2.gz GRADLWBHAYZAAE-IBGZPJMESA-N 0 0 397.475 4.123 20 5 GIBDRN Cc1nc(C2CCCC2)sc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461396035 823629158 /nfs/dbraw/zinc/62/91/58/823629158.db2.gz JYFUIUIWEWQVCO-UHFFFAOYSA-N 0 0 387.461 4.052 20 5 GIBDRN COc1ccc(Cl)cc1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124839559 823630000 /nfs/dbraw/zinc/63/00/00/823630000.db2.gz ZCFHOAJOGZFNTB-UHFFFAOYSA-N 0 0 383.231 4.111 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000412147722 823630282 /nfs/dbraw/zinc/63/02/82/823630282.db2.gz NFELEAAFUXMMPB-RYGJVYDSSA-N 0 0 382.485 4.339 20 5 GIBDRN Cc1nc(-c2ccccc2)c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000461412690 823631198 /nfs/dbraw/zinc/63/11/98/823631198.db2.gz GAVKXZZJENOEET-UHFFFAOYSA-N 0 0 395.440 4.062 20 5 GIBDRN Cc1cccc(-c2cncc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2)c1 ZINC000461412407 823631274 /nfs/dbraw/zinc/63/12/74/823631274.db2.gz BTQIIRHCPJETMW-UHFFFAOYSA-N 0 0 389.411 4.000 20 5 GIBDRN O=C(Nc1cccc(CC(F)(F)F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124856783 823631495 /nfs/dbraw/zinc/63/14/95/823631495.db2.gz IWTCPMWBBQILEG-UHFFFAOYSA-N 0 0 379.338 4.290 20 5 GIBDRN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461418534 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Cc1cc(F)cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1[N+](=O)[O-] ZINC000125305377 823666524 /nfs/dbraw/zinc/66/65/24/823666524.db2.gz UQCHLDGEHBKTEX-UHFFFAOYSA-N 0 0 391.362 4.004 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(O)c(Br)c1 ZINC000191324888 823672027 /nfs/dbraw/zinc/67/20/27/823672027.db2.gz NUYQVFGMSZVXIR-UHFFFAOYSA-N 0 0 394.225 4.001 20 5 GIBDRN CC(=O)c1sc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000063451829 823672269 /nfs/dbraw/zinc/67/22/69/823672269.db2.gz FHWVTPOVIIVVRA-UHFFFAOYSA-N 0 0 385.376 4.312 20 5 GIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412674784 823673877 /nfs/dbraw/zinc/67/38/77/823673877.db2.gz NQQBLDSTDSMYRR-QGZVFWFLSA-N 0 0 375.428 4.486 20 5 GIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(C)c1 ZINC000191339817 823674009 /nfs/dbraw/zinc/67/40/09/823674009.db2.gz MFYXVWPMLIQHPX-UHFFFAOYSA-N 0 0 398.463 4.239 20 5 GIBDRN C[C@@H](C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F 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ZINC000461785189 823695219 /nfs/dbraw/zinc/69/52/19/823695219.db2.gz NVRYGTGSKNUJSV-UHFFFAOYSA-N 0 0 391.830 4.048 20 5 GIBDRN Cc1ccc(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)C2)nn1 ZINC000461789796 823695723 /nfs/dbraw/zinc/69/57/23/823695723.db2.gz WAKCCWSYIAJZEJ-ZDUSSCGKSA-N 0 0 395.385 4.101 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)n1 ZINC000191544703 823698084 /nfs/dbraw/zinc/69/80/84/823698084.db2.gz LWDBDFASQASKNB-HNNXBMFYSA-N 0 0 390.852 4.046 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)n1 ZINC000191549096 823698422 /nfs/dbraw/zinc/69/84/22/823698422.db2.gz RGLWDGQLIUZQLO-OAHLLOKOSA-N 0 0 378.860 4.372 20 5 GIBDRN CC(C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461814138 823700336 /nfs/dbraw/zinc/70/03/36/823700336.db2.gz XXOLGDFLMRKADZ-IBGZPJMESA-N 0 0 399.495 4.048 20 5 GIBDRN CSc1ccccc1NC(=O)CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163302851 823700655 /nfs/dbraw/zinc/70/06/55/823700655.db2.gz 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O=[N+]([O-])c1cnc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(F)c1 ZINC000413144827 823715120 /nfs/dbraw/zinc/71/51/20/823715120.db2.gz ZBAGRLBOZDMTKA-AWEZNQCLSA-N 0 0 390.173 4.153 20 5 GIBDRN O=C(c1ccccc1)N1CCC(CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413157098 823717580 /nfs/dbraw/zinc/71/75/80/823717580.db2.gz SVKZTDCWHARBML-UHFFFAOYSA-N 0 0 390.443 4.107 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000063951422 823719951 /nfs/dbraw/zinc/71/99/51/823719951.db2.gz DLYZHVHIJZHBGY-UHFFFAOYSA-N 0 0 391.383 4.108 20 5 GIBDRN C[C@H](C1CCC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461861286 823724984 /nfs/dbraw/zinc/72/49/84/823724984.db2.gz GSEPWSUTARFIAO-BEFAXECRSA-N 0 0 399.495 4.047 20 5 GIBDRN O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1csc([N+](=O)[O-])c1 ZINC000063991826 823730741 /nfs/dbraw/zinc/73/07/41/823730741.db2.gz ZSNJJYYCLMPRTO-UHFFFAOYSA-N 0 0 378.413 4.307 20 5 GIBDRN Cc1cc(N[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461872990 823732340 /nfs/dbraw/zinc/73/23/40/823732340.db2.gz YRKACDNSYDFKEL-LPHOPBHVSA-N 0 0 382.395 4.170 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064027702 823736538 /nfs/dbraw/zinc/73/65/38/823736538.db2.gz YJEMFIDKKSHUKX-UHFFFAOYSA-N 0 0 375.837 4.277 20 5 GIBDRN CC(=O)Nc1cccc(N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000125883955 823736639 /nfs/dbraw/zinc/73/66/39/823736639.db2.gz VJFOWJQCZXMSIZ-LBPRGKRZSA-N 0 0 381.392 4.085 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000413242578 823736582 /nfs/dbraw/zinc/73/65/82/823736582.db2.gz WUNKGBGBSPWIEU-IUODEOHRSA-N 0 0 385.317 4.480 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC(c3ncc4n3CCCC4)CC2)c2cccnc21 ZINC000413276943 823743896 /nfs/dbraw/zinc/74/38/96/823743896.db2.gz ZOPXCUIDMAXUAQ-UHFFFAOYSA-N 0 0 377.448 4.060 20 5 GIBDRN COc1ccccc1O[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413291220 823746477 /nfs/dbraw/zinc/74/64/77/823746477.db2.gz JXNGCGRWGBWISY-CYBMUJFWSA-N 0 0 397.353 4.065 20 5 GIBDRN COc1ccc(CC[C@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000064114759 823748577 /nfs/dbraw/zinc/74/85/77/823748577.db2.gz AAHFBTHLBJKXER-HNNXBMFYSA-N 0 0 385.464 4.175 20 5 GIBDRN COc1ccc(CC[C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 ZINC000064114680 823748798 /nfs/dbraw/zinc/74/87/98/823748798.db2.gz ZNPRKBVKVKSRTR-MRXNPFEDSA-N 0 0 397.475 4.273 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC(Cc4ccccc4CO)CC3)c2c1 ZINC000413306313 823749177 /nfs/dbraw/zinc/74/91/77/823749177.db2.gz XOHCUZGRPNSLIV-UHFFFAOYSA-N 0 0 377.444 4.094 20 5 GIBDRN COc1ccccc1[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000163795611 823750041 /nfs/dbraw/zinc/75/00/41/823750041.db2.gz FVDUITQTJRMZGV-IBGZPJMESA-N 0 0 398.440 4.438 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000163812885 823750952 /nfs/dbraw/zinc/75/09/52/823750952.db2.gz FBPQOTFZBXYHDZ-UHFFFAOYSA-N 0 0 389.411 4.337 20 5 GIBDRN O=C(Nc1cccc(-c2cnco2)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000064127241 823751408 /nfs/dbraw/zinc/75/14/08/823751408.db2.gz OHXFPVBKJOLLDZ-UHFFFAOYSA-N 0 0 388.177 4.265 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000064127073 823751568 /nfs/dbraw/zinc/75/15/68/823751568.db2.gz QVJWITIYJKXWRS-UHFFFAOYSA-N 0 0 387.136 4.211 20 5 GIBDRN C[C@H](NC(=O)[C@@H](C)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000461916883 823753437 /nfs/dbraw/zinc/75/34/37/823753437.db2.gz ADIATTPTANPDDG-RYUDHWBXSA-N 0 0 377.238 4.338 20 5 GIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125965059 823754952 /nfs/dbraw/zinc/75/49/52/823754952.db2.gz RUFGFPTUBYPXJD-SJORKVTESA-N 0 0 378.350 4.076 20 5 GIBDRN O=C(c1csc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163892335 823758205 /nfs/dbraw/zinc/75/82/05/823758205.db2.gz UTVGYYODQQDRRG-UHFFFAOYSA-N 0 0 381.251 4.224 20 5 GIBDRN Cc1ccc(C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000574539717 823759367 /nfs/dbraw/zinc/75/93/67/823759367.db2.gz AQEKETDSWDHALK-FQEVSTJZSA-N 0 0 378.476 4.294 20 5 GIBDRN Cc1ccccc1C(C)(C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000574539956 823759506 /nfs/dbraw/zinc/75/95/06/823759506.db2.gz PMNKUQFNWHFTME-FQEVSTJZSA-N 0 0 378.476 4.294 20 5 GIBDRN CCOc1cc(N2CCC[C@H]2c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000413370354 823761897 /nfs/dbraw/zinc/76/18/97/823761897.db2.gz HJOKLGDZWZQNFD-HNNXBMFYSA-N 0 0 392.253 4.493 20 5 GIBDRN Cc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461938293 823765756 /nfs/dbraw/zinc/76/57/56/823765756.db2.gz SVGXVIWVILRHBA-UHFFFAOYSA-N 0 0 380.423 4.044 20 5 GIBDRN Cc1cc(N2CCO[C@H](c3cccc(O)c3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461942616 823766564 /nfs/dbraw/zinc/76/65/64/823766564.db2.gz CTEMRBNSAJCYCL-KRWDZBQOSA-N 0 0 382.338 4.206 20 5 GIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2cc(Cl)sc2[nH]1 ZINC000574567114 823768740 /nfs/dbraw/zinc/76/87/40/823768740.db2.gz WPEUSYBGTXMNAN-UHFFFAOYSA-N 0 0 384.244 4.417 20 5 GIBDRN Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000126025669 823768940 /nfs/dbraw/zinc/76/89/40/823768940.db2.gz SMLJTTBCHUQOEK-UHFFFAOYSA-N 0 0 385.489 4.013 20 5 GIBDRN Cc1cc(Nc2cccc(C[S@](=O)C3CCOCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461951838 823769861 /nfs/dbraw/zinc/76/98/61/823769861.db2.gz ZETDXBGBYPURAQ-MHZLTWQESA-N 0 0 392.452 4.214 20 5 GIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000413404176 823769991 /nfs/dbraw/zinc/76/99/91/823769991.db2.gz WYCAHSDKYIUJHK-MRXNPFEDSA-N 0 0 395.381 4.328 20 5 GIBDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000574575515 823770166 /nfs/dbraw/zinc/77/01/66/823770166.db2.gz RLZAXRJIVSSAHV-GOEBONIOSA-N 0 0 394.349 4.130 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c2ccncc21 ZINC000413405463 823770366 /nfs/dbraw/zinc/77/03/66/823770366.db2.gz XZIDWRDADRLCSH-KRWDZBQOSA-N 0 0 395.381 4.328 20 5 GIBDRN Cc1cc(N2CCc3c(nc(C(C)C)n3C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965417 823774724 /nfs/dbraw/zinc/77/47/24/823774724.db2.gz MVAHYJSVWLPTIQ-UHFFFAOYSA-N 0 0 382.386 4.342 20 5 GIBDRN O=[N+]([O-])c1ccc(CNCc2cc(Br)ccc2OC(F)F)cc1 ZINC000126056308 823777039 /nfs/dbraw/zinc/77/70/39/823777039.db2.gz DATDVLXUGBGMKY-UHFFFAOYSA-N 0 0 387.180 4.249 20 5 GIBDRN Cc1cc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000461970126 823777170 /nfs/dbraw/zinc/77/71/70/823777170.db2.gz JYPWMTWYJQQFNJ-MEDUHNTESA-N 0 0 384.329 4.373 20 5 GIBDRN CO[C@H](c1noc(-c2cccc(SC)c2[N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000574603842 823777843 /nfs/dbraw/zinc/77/78/43/823777843.db2.gz FLSCGKROWIAMLO-HNNXBMFYSA-N 0 0 375.381 4.242 20 5 GIBDRN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064245144 823779911 /nfs/dbraw/zinc/77/99/11/823779911.db2.gz YTCJWGITKICMEU-UHFFFAOYSA-N 0 0 388.470 4.360 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000191822777 823783436 /nfs/dbraw/zinc/78/34/36/823783436.db2.gz WMOKGNCIESGKTQ-UHFFFAOYSA-N 0 0 381.775 4.178 20 5 GIBDRN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191828138 823787062 /nfs/dbraw/zinc/78/70/62/823787062.db2.gz NGTNXEOVZNRIBM-UHFFFAOYSA-N 0 0 399.373 4.294 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000126099477 823787128 /nfs/dbraw/zinc/78/71/28/823787128.db2.gz UOJRFAHLRUBGTD-INIZCTEOSA-N 0 0 393.468 4.423 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1F ZINC000413495922 823787711 /nfs/dbraw/zinc/78/77/11/823787711.db2.gz SSSBXCLXMVRJMR-MRXNPFEDSA-N 0 0 390.411 4.330 20 5 GIBDRN CCOc1cc(Cl)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000574643169 823788591 /nfs/dbraw/zinc/78/85/91/823788591.db2.gz RVFZOOVFZRBLAO-UHFFFAOYSA-N 0 0 377.828 4.353 20 5 GIBDRN CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1nc(C)cs1 ZINC000413515305 823790301 /nfs/dbraw/zinc/79/03/01/823790301.db2.gz MWPRFJURDFESTQ-GOSISDBHSA-N 0 0 377.466 4.202 20 5 GIBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1scnc1C1CC1 ZINC000126143331 823798857 /nfs/dbraw/zinc/79/88/57/823798857.db2.gz ODXKTAYQWNGQJE-UHFFFAOYSA-N 0 0 383.223 4.048 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350478 823798974 /nfs/dbraw/zinc/79/89/74/823798974.db2.gz GUWSWPTTZUPSBR-UHFFFAOYSA-N 0 0 375.856 4.406 20 5 GIBDRN Cc1nc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)c2)n[nH]1 ZINC000413577378 823799828 /nfs/dbraw/zinc/79/98/28/823799828.db2.gz MYOKHALSHXYAQJ-UHFFFAOYSA-N 0 0 395.419 4.036 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000191892370 823805867 /nfs/dbraw/zinc/80/58/67/823805867.db2.gz WOPZLDLFSSJYDP-UHFFFAOYSA-N 0 0 384.480 4.030 20 5 GIBDRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1C(C)C ZINC000191920056 823811644 /nfs/dbraw/zinc/81/16/44/823811644.db2.gz UDNHJNOAFLPIIH-UHFFFAOYSA-N 0 0 379.420 4.168 20 5 GIBDRN COc1cc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc([N+](=O)[O-])c1C ZINC000191919062 823811720 /nfs/dbraw/zinc/81/17/20/823811720.db2.gz XDPDVLBATWBNAZ-UHFFFAOYSA-N 0 0 392.371 4.072 20 5 GIBDRN Cc1cc(Br)ccc1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000126224152 823815524 /nfs/dbraw/zinc/81/55/24/823815524.db2.gz LXRHSMXAETWTEF-UHFFFAOYSA-N 0 0 377.238 4.261 20 5 GIBDRN CC(C)Oc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064421096 823815486 /nfs/dbraw/zinc/81/54/86/823815486.db2.gz YELWNYKUSJAUPE-CYBMUJFWSA-N 0 0 392.839 4.119 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000413712995 823823706 /nfs/dbraw/zinc/82/37/06/823823706.db2.gz MNVQTRYFZMLLCX-WBVHZDCISA-N 0 0 395.242 4.296 20 5 GIBDRN Cc1ccccc1-c1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000462085137 823824056 /nfs/dbraw/zinc/82/40/56/823824056.db2.gz QLMXSBPDTYVANG-OAHLLOKOSA-N 0 0 393.447 4.495 20 5 GIBDRN CCOc1ccc(-c2nc(C3(c4ccccc4)CCOCC3)no2)cc1[N+](=O)[O-] ZINC000574794162 823828254 /nfs/dbraw/zinc/82/82/54/823828254.db2.gz FRAUPSAIHUICIN-UHFFFAOYSA-N 0 0 395.415 4.140 20 5 GIBDRN C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(Cl)c2O1 ZINC000574796428 823828842 /nfs/dbraw/zinc/82/88/42/823828842.db2.gz ZOFQFVUQELCCNG-LLVKDONJSA-N 0 0 386.795 4.086 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)c1F ZINC000413754231 823834589 /nfs/dbraw/zinc/83/45/89/823834589.db2.gz GRDAOGIWPTVRKU-HXUWFJFHSA-N 0 0 392.402 4.280 20 5 GIBDRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000574825578 823834889 /nfs/dbraw/zinc/83/48/89/823834889.db2.gz UJJBUFOODCSZLR-RDJZCZTQSA-N 0 0 392.459 4.289 20 5 GIBDRN Cc1c(Cc2noc([C@@H]3CCN(c4ccccc4)[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000574843590 823840478 /nfs/dbraw/zinc/84/04/78/823840478.db2.gz NVFZOVLCFTZKCS-CRAIPNDOSA-N 0 0 378.432 4.259 20 5 GIBDRN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000165465944 823849877 /nfs/dbraw/zinc/84/98/77/823849877.db2.gz ZMVFQGHBGSAGSQ-CVEARBPZSA-N 0 0 380.448 4.241 20 5 GIBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc(OC)c1Cl ZINC000413852858 823850982 /nfs/dbraw/zinc/85/09/82/823850982.db2.gz BDRLTCPJTFUDTO-UHFFFAOYSA-N 0 0 394.811 4.305 20 5 GIBDRN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(Br)c1 ZINC000462172774 823852781 /nfs/dbraw/zinc/85/27/81/823852781.db2.gz XTACZRJKNUTRMP-GFCCVEGCSA-N 0 0 389.249 4.046 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(c1ccccc1)[C@H]1CCOC1 ZINC000192082385 823853881 /nfs/dbraw/zinc/85/38/81/823853881.db2.gz JUZUNGBGURCPPO-HNNXBMFYSA-N 0 0 380.322 4.049 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000462176712 823855323 /nfs/dbraw/zinc/85/53/23/823855323.db2.gz PQOHGVGBQSBLKL-WMLDXEAASA-N 0 0 378.494 4.174 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413881378 823857035 /nfs/dbraw/zinc/85/70/35/823857035.db2.gz OEYJLQOJUQJLHR-UHFFFAOYSA-N 0 0 397.475 4.325 20 5 GIBDRN CC(=O)c1cc(NCc2ccncc2OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000574933760 823863766 /nfs/dbraw/zinc/86/37/66/823863766.db2.gz IIQGKXZLEAOXLU-UHFFFAOYSA-N 0 0 377.400 4.384 20 5 GIBDRN O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])s1 ZINC000574932990 823863832 /nfs/dbraw/zinc/86/38/32/823863832.db2.gz WKWYCXDGICWVGG-CQSZACIVSA-N 0 0 380.853 4.207 20 5 GIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000165944807 823866503 /nfs/dbraw/zinc/86/65/03/823866503.db2.gz LPQVOJALWPELQS-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN O=C(NCc1c(F)cccc1Cl)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574943788 823867132 /nfs/dbraw/zinc/86/71/32/823867132.db2.gz MRGROONEOSESSO-UHFFFAOYSA-N 0 0 376.693 4.336 20 5 GIBDRN COc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(Cl)c(OC)c1 ZINC000413929444 823868508 /nfs/dbraw/zinc/86/85/08/823868508.db2.gz GGADFBHVBGVJER-UHFFFAOYSA-N 0 0 378.812 4.182 20 5 GIBDRN CCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC000192130822 823871105 /nfs/dbraw/zinc/87/11/05/823871105.db2.gz JIXZYDXLBAPRGC-UHFFFAOYSA-N 0 0 384.823 4.178 20 5 GIBDRN CCC(CC)c1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000064723784 823872153 /nfs/dbraw/zinc/87/21/53/823872153.db2.gz WXGKGCGQCZQDJK-VIFPVBQESA-N 0 0 398.872 4.409 20 5 GIBDRN COC(=O)c1cc(NCc2ncc(-c3ccc(F)cc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000574960289 823872126 /nfs/dbraw/zinc/87/21/26/823872126.db2.gz XNKJWTHEOGTAGP-UHFFFAOYSA-N 0 0 385.351 4.096 20 5 GIBDRN O=C(NCCc1ccc2ccccc2n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574962407 823873542 /nfs/dbraw/zinc/87/35/42/823873542.db2.gz RVIGJHTYZROWEX-UHFFFAOYSA-N 0 0 389.333 4.134 20 5 GIBDRN O=[N+]([O-])c1ccc(Oc2cccc(NCc3nc(CC(F)(F)F)no3)c2)cc1 ZINC000462226328 823881908 /nfs/dbraw/zinc/88/19/08/823881908.db2.gz JHHSVPSVCGTYLV-UHFFFAOYSA-N 0 0 394.309 4.487 20 5 GIBDRN CCCn1c(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cc(OC)ccc21 ZINC000064778332 823884592 /nfs/dbraw/zinc/88/45/92/823884592.db2.gz AZPNECRJBIHKPF-UHFFFAOYSA-N 0 0 395.459 4.249 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCc2c(F)cc(F)cc21 ZINC000064784869 823886289 /nfs/dbraw/zinc/88/62/89/823886289.db2.gz PTCDMURQVZYSGZ-SNVBAGLBSA-N 0 0 396.777 4.273 20 5 GIBDRN O=[N+]([O-])c1cc(CNc2cccc(CS(=O)(=O)c3ccccc3)c2)cs1 ZINC000462233259 823886325 /nfs/dbraw/zinc/88/63/25/823886325.db2.gz CYDLAKOTFQMSLD-UHFFFAOYSA-N 0 0 388.470 4.242 20 5 GIBDRN O=C(c1cccc(NCc2csc([N+](=O)[O-])c2)c1)N1CCc2ccccc21 ZINC000462235045 823887928 /nfs/dbraw/zinc/88/79/28/823887928.db2.gz UPEQBZSXVCLJHY-UHFFFAOYSA-N 0 0 379.441 4.471 20 5 GIBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1ccc(OC)cc1 ZINC000575024781 823891778 /nfs/dbraw/zinc/89/17/78/823891778.db2.gz SYNZAVUBOATAML-MRXNPFEDSA-N 0 0 389.427 4.142 20 5 GIBDRN COc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000064828396 823894377 /nfs/dbraw/zinc/89/43/77/823894377.db2.gz OOBCAQFWVBQCLT-VIFPVBQESA-N 0 0 385.203 4.316 20 5 GIBDRN CC(C)(C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000575035290 823895499 /nfs/dbraw/zinc/89/54/99/823895499.db2.gz ZKTHBKRRQIONAT-INIZCTEOSA-N 0 0 394.393 4.410 20 5 GIBDRN C[C@H](C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)c1cccc([N+](=O)[O-])c1 ZINC000575039231 823897533 /nfs/dbraw/zinc/89/75/33/823897533.db2.gz XMDKISITAQQTBF-GOEBONIOSA-N 0 0 399.516 4.440 20 5 GIBDRN CCOCc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000064907968 823909910 /nfs/dbraw/zinc/90/99/10/823909910.db2.gz UXTWZMMSXYATAO-UHFFFAOYSA-N 0 0 397.456 4.185 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000126611310 823910819 /nfs/dbraw/zinc/91/08/19/823910819.db2.gz BUVSQTIQDSSSTQ-UHFFFAOYSA-N 0 0 393.827 4.445 20 5 GIBDRN CCCCc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000170328195 823918995 /nfs/dbraw/zinc/91/89/95/823918995.db2.gz BOCNCNDEKYQIBX-UHFFFAOYSA-N 0 0 375.812 4.168 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000064975084 823921644 /nfs/dbraw/zinc/92/16/44/823921644.db2.gz VLXZTHULZCQQOI-GASCZTMLSA-N 0 0 385.508 4.338 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 ZINC000170639347 823923924 /nfs/dbraw/zinc/92/39/24/823923924.db2.gz JKILQRXZSIKAAX-GOSISDBHSA-N 0 0 381.432 4.220 20 5 GIBDRN C[C@H]1CCC[C@@]1(O)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000575153403 823925247 /nfs/dbraw/zinc/92/52/47/823925247.db2.gz WRIHPNYLFPQMSV-VBKZILBWSA-N 0 0 386.473 4.027 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC2(CCCC2)CC1 ZINC000462346354 823933968 /nfs/dbraw/zinc/93/39/68/823933968.db2.gz DHIDWLDUTSDYCD-UHFFFAOYSA-N 0 0 393.292 4.247 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000575196088 823935852 /nfs/dbraw/zinc/93/58/52/823935852.db2.gz PVTTVXIQUAWHCC-CXAGYDPISA-N 0 0 387.411 4.067 20 5 GIBDRN Cc1sc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000170680019 823936045 /nfs/dbraw/zinc/93/60/45/823936045.db2.gz ZERCNBJRBHJOJJ-CQSZACIVSA-N 0 0 398.444 4.382 20 5 GIBDRN Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)co2)cc1 ZINC000170684119 823937869 /nfs/dbraw/zinc/93/78/69/823937869.db2.gz KLIPWMQKILQQOH-OAHLLOKOSA-N 0 0 394.431 4.161 20 5 GIBDRN CCCCOc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000065114207 823945849 /nfs/dbraw/zinc/94/58/49/823945849.db2.gz XXQIMWRMKCTKGY-UHFFFAOYSA-N 0 0 380.404 4.212 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000170701147 823945939 /nfs/dbraw/zinc/94/59/39/823945939.db2.gz BHLWNSFLCIKOPQ-UHFFFAOYSA-N 0 0 387.392 4.042 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000462373231 823947049 /nfs/dbraw/zinc/94/70/49/823947049.db2.gz NCXNJWSEMQWNGM-UHFFFAOYSA-N 0 0 392.337 4.420 20 5 GIBDRN CN(c1ccccc1)c1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000065123887 823948673 /nfs/dbraw/zinc/94/86/73/823948673.db2.gz UREMHZDPUAQGOC-UHFFFAOYSA-N 0 0 375.428 4.335 20 5 GIBDRN CC(C)C[C@@H](C)N(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]ccc2c1 ZINC000170707262 823948669 /nfs/dbraw/zinc/94/86/69/823948669.db2.gz IPVGHQCNLHRKJU-OAHLLOKOSA-N 0 0 383.452 4.131 20 5 GIBDRN COc1ccc(CN=c2[nH]c3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] ZINC000462384392 823953051 /nfs/dbraw/zinc/95/30/51/823953051.db2.gz NFWJCAPHYGOHCF-UHFFFAOYSA-N 0 0 383.351 4.266 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000462385018 823953493 /nfs/dbraw/zinc/95/34/93/823953493.db2.gz TWUXURPVIKUPEZ-GCJKJVERSA-N 0 0 389.455 4.464 20 5 GIBDRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000126805888 823955745 /nfs/dbraw/zinc/95/57/45/823955745.db2.gz DMYHGWWBIXZRCG-SNVBAGLBSA-N 0 0 398.312 4.144 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000462391338 823957269 /nfs/dbraw/zinc/95/72/69/823957269.db2.gz HTASRJQYUSSCEL-INIZCTEOSA-N 0 0 392.402 4.424 20 5 GIBDRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414409821 823974639 /nfs/dbraw/zinc/97/46/39/823974639.db2.gz HMVNNKYZHAKWRA-CYBMUJFWSA-N 0 0 395.431 4.100 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000462441276 823976718 /nfs/dbraw/zinc/97/67/18/823976718.db2.gz WBVYMUXARHSDDM-LAUBAEHRSA-N 0 0 398.459 4.360 20 5 GIBDRN CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443439 823977311 /nfs/dbraw/zinc/97/73/11/823977311.db2.gz XSRLDLRCXIINIE-VIFPVBQESA-N 0 0 381.281 4.099 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000170817070 823978814 /nfs/dbraw/zinc/97/88/14/823978814.db2.gz NLSKHAAOMGTRBC-FQEVSTJZSA-N 0 0 379.416 4.114 20 5 GIBDRN O=C(Nc1cc(C(F)(F)F)ccn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000192424115 823986777 /nfs/dbraw/zinc/98/67/77/823986777.db2.gz JKEJZWBHTOZSMG-UHFFFAOYSA-N 0 0 380.326 4.205 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2cccs2)cc1SC ZINC000170859013 823992771 /nfs/dbraw/zinc/99/27/71/823992771.db2.gz VNFFNTNXQMPYJR-GFCCVEGCSA-N 0 0 378.475 4.364 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H](c4cccc(F)c4)C3)o2)c1 ZINC000170917141 824004672 /nfs/dbraw/zinc/00/46/72/824004672.db2.gz CKZHWVNDCNRRBN-HXUWFJFHSA-N 0 0 397.406 4.005 20 5 GIBDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000575829612 824005996 /nfs/dbraw/zinc/00/59/96/824005996.db2.gz BCMZTHSGCAQYNZ-FQEVSTJZSA-N 0 0 394.431 4.012 20 5 GIBDRN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000127054365 824008050 /nfs/dbraw/zinc/00/80/50/824008050.db2.gz UUUGGRVZBDKWMB-GFCCVEGCSA-N 0 0 376.796 4.165 20 5 GIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c([nH]c3ccccc32)C1 ZINC000127057457 824008516 /nfs/dbraw/zinc/00/85/16/824008516.db2.gz WYRNTPDELNWVGI-GFCCVEGCSA-N 0 0 398.850 4.115 20 5 GIBDRN COc1ccccc1C/C(C)=C/C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000170943364 824009686 /nfs/dbraw/zinc/00/96/86/824009686.db2.gz CNYNODCESWKDOL-SDNWHVSQSA-N 0 0 388.851 4.404 20 5 GIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(CC(F)F)C1CC1 ZINC000192495922 824011185 /nfs/dbraw/zinc/01/11/85/824011185.db2.gz DJOMAGRNPVZXEH-UHFFFAOYSA-N 0 0 376.359 4.044 20 5 GIBDRN CC(C)OC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000575857903 824013811 /nfs/dbraw/zinc/01/38/11/824013811.db2.gz JGFWCTFPGDTDIB-UHFFFAOYSA-N 0 0 398.459 4.203 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCc3c(OC(F)F)cccc32)cc1[N+](=O)[O-] ZINC000575857377 824013872 /nfs/dbraw/zinc/01/38/72/824013872.db2.gz YGJYCPLCFQZYNL-UHFFFAOYSA-N 0 0 392.358 4.188 20 5 GIBDRN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc2ccccc2c2cccnc12 ZINC000192507497 824014825 /nfs/dbraw/zinc/01/48/25/824014825.db2.gz IIGYBHUJHUAFOZ-IBGZPJMESA-N 0 0 381.435 4.244 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000192524256 824019519 /nfs/dbraw/zinc/01/95/19/824019519.db2.gz DPUIIWPLWWCUOP-IRXDYDNUSA-N 0 0 397.475 4.073 20 5 GIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc2cccnc21 ZINC000575891038 824021322 /nfs/dbraw/zinc/02/13/22/824021322.db2.gz JDBFDGNYDUXEQO-UHFFFAOYSA-N 0 0 391.305 4.423 20 5 GIBDRN C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1OC(F)F ZINC000127158051 824028633 /nfs/dbraw/zinc/02/86/33/824028633.db2.gz DUIHDADIYFUMBY-SECBINFHSA-N 0 0 386.738 4.256 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000192560252 824031301 /nfs/dbraw/zinc/03/13/01/824031301.db2.gz JNGMTNNHVBIRRM-UHFFFAOYSA-N 0 0 391.387 4.195 20 5 GIBDRN C[C@@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171015477 824037776 /nfs/dbraw/zinc/03/77/76/824037776.db2.gz VZPDAGUGXOYIHO-CQSZACIVSA-N 0 0 386.427 4.081 20 5 GIBDRN CCc1[nH]nc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000192582278 824038035 /nfs/dbraw/zinc/03/80/35/824038035.db2.gz YNOBUIMVFRBJAD-ZDUSSCGKSA-N 0 0 380.404 4.273 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(OC)ccc1OC(F)F ZINC000575994258 824045664 /nfs/dbraw/zinc/04/56/64/824045664.db2.gz ALZPGCOZLOBTIA-UHFFFAOYSA-N 0 0 395.362 4.089 20 5 GIBDRN CSCC[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000192622657 824047524 /nfs/dbraw/zinc/04/75/24/824047524.db2.gz MGSHVAOQZKLYQZ-MSOLQXFVSA-N 0 0 397.504 4.099 20 5 GIBDRN Cc1ccc(-c2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)cc1[N+](=O)[O-] ZINC000576025696 824052427 /nfs/dbraw/zinc/05/24/27/824052427.db2.gz QVLMFMRLQDNXJF-CQSZACIVSA-N 0 0 398.444 4.382 20 5 GIBDRN CN(Cc1csc(COc2ccc(F)cc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000192638865 824053175 /nfs/dbraw/zinc/05/31/75/824053175.db2.gz GBNNBRXLWHHIMW-UHFFFAOYSA-N 0 0 387.436 4.401 20 5 GIBDRN CNC(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000192640927 824053805 /nfs/dbraw/zinc/05/38/05/824053805.db2.gz YDPILAFUTYJHBX-UHFFFAOYSA-N 0 0 385.423 4.009 20 5 GIBDRN COc1ccc([C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000192642626 824054196 /nfs/dbraw/zinc/05/41/96/824054196.db2.gz AVXVZZPOQUZLRR-SFTDATJTSA-N 0 0 392.459 4.094 20 5 GIBDRN C[C@H](Sc1nncc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000192649409 824055764 /nfs/dbraw/zinc/05/57/64/824055764.db2.gz PMLJHTNLYGBRDF-JTQLQIEISA-N 0 0 388.836 4.311 20 5 GIBDRN COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1F ZINC000018706601 210220096 /nfs/dbraw/zinc/22/00/96/210220096.db2.gz VKJUPSMIQJGMDR-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN O=C(NC1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016025764 209172650 /nfs/dbraw/zinc/17/26/50/209172650.db2.gz VZYKJOLDSIZSLB-UHFFFAOYSA-N 0 0 399.413 4.279 20 5 GIBDRN COc1ccc2cc([C@H](C)C(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000072004093 211068359 /nfs/dbraw/zinc/06/83/59/211068359.db2.gz YTEZOPRXIWTXCE-AWEZNQCLSA-N 0 0 376.412 4.449 20 5 GIBDRN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000021829547 210395453 /nfs/dbraw/zinc/39/54/53/210395453.db2.gz PGCBWKVRIUDBSV-INIZCTEOSA-N 0 0 375.768 4.038 20 5 GIBDRN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004830006 220770574 /nfs/dbraw/zinc/77/05/74/220770574.db2.gz YIKRUQQHRQHRQJ-VIFPVBQESA-N 0 0 376.825 4.244 20 5 GIBDRN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cn1 ZINC000055796484 823045324 /nfs/dbraw/zinc/04/53/24/823045324.db2.gz SVDNGGGALSJCRZ-UHFFFAOYSA-N 0 0 398.644 4.461 20 5 GIBDRN Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1 ZINC000055798499 823045458 /nfs/dbraw/zinc/04/54/58/823045458.db2.gz RUKKUCMARBTHAO-UHFFFAOYSA-N 0 0 389.411 4.086 20 5 GIBDRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055803286 823045901 /nfs/dbraw/zinc/04/59/01/823045901.db2.gz DMZZCBJOKLGRKF-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN COc1cc(C)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000055818726 823048402 /nfs/dbraw/zinc/04/84/02/823048402.db2.gz VGVUVZBUMWKTDI-UHFFFAOYSA-N 0 0 394.431 4.026 20 5 GIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000187359044 823049463 /nfs/dbraw/zinc/04/94/63/823049463.db2.gz TYKALQNWSWRQOP-UHFFFAOYSA-N 0 0 388.851 4.365 20 5 GIBDRN Cc1ccccc1-c1noc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000055843294 823051929 /nfs/dbraw/zinc/05/19/29/823051929.db2.gz OAFOBDONRYJWJN-UHFFFAOYSA-N 0 0 376.319 4.167 20 5 GIBDRN Cc1c(Br)cc(C(=O)N(C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000570544923 823052047 /nfs/dbraw/zinc/05/20/47/823052047.db2.gz UJEAUSKYRYWYBL-UHFFFAOYSA-N 0 0 391.212 4.316 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000120724577 823052921 /nfs/dbraw/zinc/05/29/21/823052921.db2.gz WMBIIHFLXPNOCM-UHFFFAOYSA-N 0 0 385.420 4.431 20 5 GIBDRN COc1ccccc1[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OC(C)C ZINC000187391530 823054839 /nfs/dbraw/zinc/05/48/39/823054839.db2.gz JGUSYLKBDXSYTH-QGZVFWFLSA-N 0 0 392.839 4.153 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000055862748 823055565 /nfs/dbraw/zinc/05/55/65/823055565.db2.gz QRUXWYUHAJFNML-GOSISDBHSA-N 0 0 383.423 4.311 20 5 GIBDRN Nc1c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000175865772 823058980 /nfs/dbraw/zinc/05/89/80/823058980.db2.gz HSSMHHWTVIWUFK-UHFFFAOYSA-N 0 0 391.387 4.073 20 5 GIBDRN O=C(c1csc([C@@H]2CCCO2)n1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 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DKSVCJCJDQBYOE-UHFFFAOYSA-N 0 0 380.853 4.118 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000120880866 823081409 /nfs/dbraw/zinc/08/14/09/823081409.db2.gz IAUVQKJAJROFSJ-UHFFFAOYSA-N 0 0 391.427 4.124 20 5 GIBDRN CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000175947977 823079922 /nfs/dbraw/zinc/07/99/22/823079922.db2.gz YDYJEXWBPJRCTC-UHFFFAOYSA-N 0 0 383.267 4.126 20 5 GIBDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000570765854 823083453 /nfs/dbraw/zinc/08/34/53/823083453.db2.gz DOYYEBZBQWSGRA-UHFFFAOYSA-N 0 0 385.445 4.057 20 5 GIBDRN COCCCOc1ccccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000056147472 823088336 /nfs/dbraw/zinc/08/83/36/823088336.db2.gz HHAMUDFLJXUHHI-AWEZNQCLSA-N 0 0 390.461 4.129 20 5 GIBDRN O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175988172 823089576 /nfs/dbraw/zinc/08/95/76/823089576.db2.gz AILNVSYBMIBJIN-MRXNPFEDSA-N 0 0 389.249 4.108 20 5 GIBDRN 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ZINC000176114434 823124722 /nfs/dbraw/zinc/12/47/22/823124722.db2.gz GWEYOWSTAVOXRK-JSGCOSHPSA-N 0 0 376.400 4.408 20 5 GIBDRN Cc1ccn(-c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)n1 ZINC000056287880 823121801 /nfs/dbraw/zinc/12/18/01/823121801.db2.gz QDVGCLVMILQLJP-UHFFFAOYSA-N 0 0 378.432 4.140 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1)C(F)(F)F ZINC000187765446 823128348 /nfs/dbraw/zinc/12/83/48/823128348.db2.gz NXROEVOJADQEHI-CQSZACIVSA-N 0 0 386.757 4.253 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1OC ZINC000187770504 823129669 /nfs/dbraw/zinc/12/96/69/823129669.db2.gz FPRLWHRQCMBLPO-DLBZAZTESA-N 0 0 398.459 4.143 20 5 GIBDRN Cc1ccc(-n2cc(NCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cn2)c(C)c1 ZINC000571087335 823130429 /nfs/dbraw/zinc/13/04/29/823130429.db2.gz XPZIJYJSXMQGBA-UHFFFAOYSA-N 0 0 390.403 4.059 20 5 GIBDRN Cc1nn(C(C)C)cc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000571103214 823132662 /nfs/dbraw/zinc/13/26/62/823132662.db2.gz 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PDSIZGGJJZJVGK-UHFFFAOYSA-N 0 0 395.415 4.023 20 5 GIBDRN CCC[C@@H](NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000409561387 823249503 /nfs/dbraw/zinc/24/95/03/823249503.db2.gz GXLXVXMFKNNMTM-MRXNPFEDSA-N 0 0 378.469 4.481 20 5 GIBDRN CCOc1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c([N+](=O)[O-])cc1OC ZINC000176617703 823250220 /nfs/dbraw/zinc/25/02/20/823250220.db2.gz ZZADPUASURCGKX-UHFFFAOYSA-N 0 0 397.387 4.273 20 5 GIBDRN Cc1cccc2nc(C3CCN(C(=O)c4ccc(F)cc4[N+](=O)[O-])CC3)oc21 ZINC000188493966 823250677 /nfs/dbraw/zinc/25/06/77/823250677.db2.gz KFHJJVMJBNRAOR-UHFFFAOYSA-N 0 0 383.379 4.203 20 5 GIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000409581842 823254478 /nfs/dbraw/zinc/25/44/78/823254478.db2.gz MMLGBLUXBJRCGV-QRWLVFNGSA-N 0 0 380.400 4.239 20 5 GIBDRN Cc1c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000001960700 817377800 /nfs/dbraw/zinc/37/78/00/817377800.db2.gz QGXYCYCHYQLNLG-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN 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GIBDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410553442 823503816 /nfs/dbraw/zinc/50/38/16/823503816.db2.gz LWQZYKKKTBDBMM-GFCCVEGCSA-N 0 0 384.276 4.465 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000031073645 820734102 /nfs/dbraw/zinc/73/41/02/820734102.db2.gz CYIWJOIGZGINIL-UHFFFAOYSA-N 0 0 387.461 4.097 20 5 GIBDRN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cccnc12 ZINC000031095490 820739705 /nfs/dbraw/zinc/73/97/05/820739705.db2.gz ZYZNMACESUXNJG-UHFFFAOYSA-N 0 0 390.443 4.307 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])cc1F ZINC000410567733 823504702 /nfs/dbraw/zinc/50/47/02/823504702.db2.gz MMXHFYFPYDVOES-QGZVFWFLSA-N 0 0 382.338 4.148 20 5 GIBDRN CC[C@@](C)(NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000410516559 823500856 /nfs/dbraw/zinc/50/08/56/823500856.db2.gz FGRZGACQKFEQHH-OAHLLOKOSA-N 0 0 387.383 4.434 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000460740323 823501311 /nfs/dbraw/zinc/50/13/11/823501311.db2.gz BLRXWTUUIXJWHU-UHFFFAOYSA-N 0 0 379.391 4.453 20 5 GIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410526534 823501575 /nfs/dbraw/zinc/50/15/75/823501575.db2.gz ONRMXGKOAOABIJ-LBPRGKRZSA-N 0 0 396.365 4.325 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H](C)Cn3cccn3)cc2[N+](=O)[O-])cc1 ZINC000031230787 820774313 /nfs/dbraw/zinc/77/43/13/820774313.db2.gz YTJRFLPCWPWQTN-OAHLLOKOSA-N 0 0 396.472 4.069 20 5 GIBDRN COc1cc(C(=O)N(CC2CCCCC2)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000410610950 823506360 /nfs/dbraw/zinc/50/63/60/823506360.db2.gz YMZGKLNPAMPVEF-UHFFFAOYSA-N 0 0 387.411 4.365 20 5 GIBDRN COc1cc2c(cc1OC)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000031239778 820777036 /nfs/dbraw/zinc/77/70/36/820777036.db2.gz PFZQMCDEUNHIJF-UHFFFAOYSA-N 0 0 398.459 4.108 20 5 GIBDRN COCCC1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCCC1 ZINC000177617135 823502058 /nfs/dbraw/zinc/50/20/58/823502058.db2.gz KAIBGTHTGGUEAS-UHFFFAOYSA-N 0 0 377.485 4.112 20 5 GIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000031286476 820786365 /nfs/dbraw/zinc/78/63/65/820786365.db2.gz DCCOUBJXNNXBFN-IBGZPJMESA-N 0 0 396.834 4.411 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189824043 823502558 /nfs/dbraw/zinc/50/25/58/823502558.db2.gz ARSFCZQOPQRRPV-HNNXBMFYSA-N 0 0 398.484 4.170 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000031317207 820791472 /nfs/dbraw/zinc/79/14/72/820791472.db2.gz HAOLWSWPZUUZFK-UHFFFAOYSA-N 0 0 394.349 4.184 20 5 GIBDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410552658 823503642 /nfs/dbraw/zinc/50/36/42/823503642.db2.gz CVQAFFGBTMKQCM-GFCCVEGCSA-N 0 0 384.276 4.465 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)c1 ZINC000060063969 823506621 /nfs/dbraw/zinc/50/66/21/823506621.db2.gz NTRBVMQXVJSADA-UHFFFAOYSA-N 0 0 387.392 4.060 20 5 GIBDRN CC(C)N(CCc1nccs1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410625855 823506883 /nfs/dbraw/zinc/50/68/83/823506883.db2.gz XNEJAACIAOZCBI-UHFFFAOYSA-N 0 0 387.383 4.163 20 5 GIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000410741325 823511925 /nfs/dbraw/zinc/51/19/25/823511925.db2.gz PRERWQODEJUZML-ZIAGYGMSSA-N 0 0 380.322 4.311 20 5 GIBDRN CC(C)(C(=O)Nc1ccc(F)cc1OCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000410665458 823508153 /nfs/dbraw/zinc/50/81/53/823508153.db2.gz VXJPKNTWGODTTB-UHFFFAOYSA-N 0 0 382.338 4.294 20 5 GIBDRN Cc1nc(C(C)C)oc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000410666713 823508413 /nfs/dbraw/zinc/50/84/13/823508413.db2.gz GARKYRNQOLYDGX-UHFFFAOYSA-N 0 0 386.433 4.415 20 5 GIBDRN Cn1c(SCc2noc(C(C)(C)C)n2)nc2cc3ccccc3cc2c1=O ZINC000031747230 820855216 /nfs/dbraw/zinc/85/52/16/820855216.db2.gz MZXSKITUQBGMQG-UHFFFAOYSA-N 0 0 380.473 4.060 20 5 GIBDRN CCNc1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000031766771 820857411 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390.823 4.249 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000031930488 820876839 /nfs/dbraw/zinc/87/68/39/820876839.db2.gz YTIDMAQTDUYIOP-UHFFFAOYSA-N 0 0 385.420 4.059 20 5 GIBDRN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000032042482 820890921 /nfs/dbraw/zinc/89/09/21/820890921.db2.gz DLGLRVBTYHVVDG-NXEZZACHSA-N 0 0 384.276 4.234 20 5 GIBDRN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000032042525 820891120 /nfs/dbraw/zinc/89/11/20/820891120.db2.gz UQNYARLMGAEMDW-UWVGGRQHSA-N 0 0 384.276 4.234 20 5 GIBDRN CC(C)c1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000032152547 820899305 /nfs/dbraw/zinc/89/93/05/820899305.db2.gz LKHJJOGOPNFWGY-UHFFFAOYSA-N 0 0 378.432 4.176 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)c2c1 ZINC000032318983 820914910 /nfs/dbraw/zinc/91/49/10/820914910.db2.gz QVFNDZOLOBPUPL-UHFFFAOYSA-N 0 0 391.427 4.323 20 5 GIBDRN O=C(NCc1cccc(Oc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032362600 820925100 /nfs/dbraw/zinc/92/51/00/820925100.db2.gz ZLZABBYWUXMVRX-UHFFFAOYSA-N 0 0 392.367 4.046 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000032676992 820988850 /nfs/dbraw/zinc/98/88/50/820988850.db2.gz AQKOXCFQSNJOBQ-MRXNPFEDSA-N 0 0 391.427 4.368 20 5 GIBDRN CCc1ccc(CN(C)C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000032680094 820990607 /nfs/dbraw/zinc/99/06/07/820990607.db2.gz GFJWBZKTRHMOFA-UHFFFAOYSA-N 0 0 388.489 4.058 20 5 GIBDRN CCn1c(SCc2cn3c(cccc3C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000177748321 823520234 /nfs/dbraw/zinc/52/02/34/823520234.db2.gz CQWFITYFYKUIHE-UHFFFAOYSA-N 0 0 394.460 4.122 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000032856573 821014128 /nfs/dbraw/zinc/01/41/28/821014128.db2.gz SOFKBQDKKAZDOD-UHFFFAOYSA-N 0 0 388.763 4.025 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000060378899 823521728 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391.412 4.156 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCc1ccccc1Br ZINC000177807501 823528287 /nfs/dbraw/zinc/52/82/87/823528287.db2.gz BZTMNCCKPOLBDB-UHFFFAOYSA-N 0 0 391.265 4.339 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cccc2Br)s1 ZINC000036633252 821073097 /nfs/dbraw/zinc/07/30/97/821073097.db2.gz VXVOMWRNIIDSOS-UHFFFAOYSA-N 0 0 392.234 4.148 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000036783532 821082944 /nfs/dbraw/zinc/08/29/44/821082944.db2.gz RSXZKSZVDXATDJ-UHFFFAOYSA-N 0 0 393.365 4.395 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000410957450 823524729 /nfs/dbraw/zinc/52/47/29/823524729.db2.gz NYVFBUOBJLUKSL-HNNXBMFYSA-N 0 0 379.338 4.232 20 5 GIBDRN C[C@@H](C(=O)N(Cc1c(F)cccc1F)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000190016510 823526234 /nfs/dbraw/zinc/52/62/34/823526234.db2.gz ODKZMSJQKDBKPZ-LLVKDONJSA-N 0 0 378.350 4.307 20 5 GIBDRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Br)c1 ZINC000039581299 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Cc1ccc([C@H](C)NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000177872137 823539318 /nfs/dbraw/zinc/53/93/18/823539318.db2.gz VXRKJTHWYSAKEA-NSHDSACASA-N 0 0 399.394 4.287 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](Sc2ncc(C)cn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000042088321 821263072 /nfs/dbraw/zinc/26/30/72/821263072.db2.gz BUEBKVILYPDPDB-GOSISDBHSA-N 0 0 394.456 4.474 20 5 GIBDRN COc1cc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])ccc1OC(C)C ZINC000042100102 821265552 /nfs/dbraw/zinc/26/55/52/821265552.db2.gz NQLGISGHUOTRPI-NSHDSACASA-N 0 0 376.438 4.273 20 5 GIBDRN O=C(c1ccccc1)c1ccc(NCc2nncn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000042100200 821265636 /nfs/dbraw/zinc/26/56/36/821265636.db2.gz PDHCQHKZXFHLRA-UHFFFAOYSA-N 0 0 399.410 4.019 20 5 GIBDRN Cn1c(SCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000042112644 821268050 /nfs/dbraw/zinc/26/80/50/821268050.db2.gz MCWCQOKFMLKELH-UHFFFAOYSA-N 0 0 378.816 4.475 20 5 GIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000042137506 821273088 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821598789 /nfs/dbraw/zinc/59/87/89/821598789.db2.gz UFWHJYWFDLJPIH-UHFFFAOYSA-N 0 0 385.401 4.413 20 5 GIBDRN CCCC(=O)Nc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000044597818 821618353 /nfs/dbraw/zinc/61/83/53/821618353.db2.gz AEHVGPGVLVCXIE-UHFFFAOYSA-N 0 0 397.456 4.478 20 5 GIBDRN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 ZINC000044620553 821623819 /nfs/dbraw/zinc/62/38/19/821623819.db2.gz FEZVRAGCQJYGTI-SNVBAGLBSA-N 0 0 375.331 4.169 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000044634215 821631155 /nfs/dbraw/zinc/63/11/55/821631155.db2.gz UZKHZESXWOYWMT-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000044719908 821649328 /nfs/dbraw/zinc/64/93/28/821649328.db2.gz JAOHYEBBTUYKPK-UHFFFAOYSA-N 0 0 388.376 4.014 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000181303411 821744415 /nfs/dbraw/zinc/74/44/15/821744415.db2.gz UTRYPARJDMLVKV-WFASDCNBSA-N 0 0 393.365 4.262 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000181303449 821744448 /nfs/dbraw/zinc/74/44/48/821744448.db2.gz UTRYPARJDMLVKV-SWLSCSKDSA-N 0 0 393.365 4.262 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000181402624 821808067 /nfs/dbraw/zinc/80/80/67/821808067.db2.gz BHOOMCQSZGANGX-ZDUSSCGKSA-N 0 0 398.488 4.473 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncccc2-c2ccccc2)cc1OC ZINC000181439988 821827301 /nfs/dbraw/zinc/82/73/01/821827301.db2.gz XJFXHPRLGAQBKC-UHFFFAOYSA-N 0 0 393.399 4.316 20 5 GIBDRN COc1cc(-c2noc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1C ZINC000181820836 822006179 /nfs/dbraw/zinc/00/61/79/822006179.db2.gz GBZGCQBZAYACGB-AWEZNQCLSA-N 0 0 382.420 4.121 20 5 GIBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(N2CCCC2)c1 ZINC000181882045 822025165 /nfs/dbraw/zinc/02/51/65/822025165.db2.gz YIOYUUHEHXECND-HNNXBMFYSA-N 0 0 393.447 4.096 20 5 GIBDRN NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 ZINC000182191466 822140273 /nfs/dbraw/zinc/14/02/73/822140273.db2.gz ZTEIPHZWXWQPKB-UHFFFAOYSA-N 0 0 399.472 4.228 20 5 GIBDRN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182288093 822188826 /nfs/dbraw/zinc/18/88/26/822188826.db2.gz MQXRZSVXNNMDCO-AWEZNQCLSA-N 0 0 399.422 4.102 20 5 GIBDRN CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 ZINC000182369145 822218015 /nfs/dbraw/zinc/21/80/15/822218015.db2.gz ZYRXAPHSIFPHSB-ZFWWWQNUSA-N 0 0 375.450 4.252 20 5 GIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182420825 822236694 /nfs/dbraw/zinc/23/66/94/822236694.db2.gz MQAIVTWPHDGIDP-UHFFFAOYSA-N 0 0 385.401 4.371 20 5 GIBDRN C[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000182428246 822240128 /nfs/dbraw/zinc/24/01/28/822240128.db2.gz AHSJYMCAFXOTFV-NSHDSACASA-N 0 0 392.246 4.333 20 5 GIBDRN CC1([C@H]2CCCN(C(=O)c3cc4ccccc4c4cccnc34)C2)OCCO1 ZINC000182429855 822240371 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CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)c2cccs2)cc1 ZINC000048272284 822650464 /nfs/dbraw/zinc/65/04/64/822650464.db2.gz RLTPGLYXPPFNDC-VBKZILBWSA-N 0 0 398.488 4.272 20 5 GIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C3)cs1 ZINC000180262455 822650502 /nfs/dbraw/zinc/65/05/02/822650502.db2.gz ZRIVJTJDDLJLQD-UHFFFAOYSA-N 0 0 399.497 4.216 20 5 GIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C3)cs1 ZINC000180266995 822651379 /nfs/dbraw/zinc/65/13/79/822651379.db2.gz NOADXPHRRWIZBW-UHFFFAOYSA-N 0 0 385.470 4.287 20 5 GIBDRN Cc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc1[N+](=O)[O-] ZINC000048291540 822651885 /nfs/dbraw/zinc/65/18/85/822651885.db2.gz JIMYWCNIIQJXSO-UHFFFAOYSA-N 0 0 392.459 4.009 20 5 GIBDRN COc1cc(F)cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000180273851 822652404 /nfs/dbraw/zinc/65/24/04/822652404.db2.gz IQFVOLUHHYNMLY-UHFFFAOYSA-N 0 0 378.425 4.173 20 5 GIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048321722 822653443 /nfs/dbraw/zinc/65/34/43/822653443.db2.gz RJZACVZVVUUECF-AWEZNQCLSA-N 0 0 390.399 4.237 20 5 GIBDRN COc1ccc(CSCC(=O)NCc2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000184540551 822653973 /nfs/dbraw/zinc/65/39/73/822653973.db2.gz XWGCAZFCKWUCSR-UHFFFAOYSA-N 0 0 396.415 4.091 20 5 GIBDRN CCOc1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180294493 822657989 /nfs/dbraw/zinc/65/79/89/822657989.db2.gz FQDRKGYVHCJKOE-UHFFFAOYSA-N 0 0 383.429 4.394 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000455461462 822658898 /nfs/dbraw/zinc/65/88/98/822658898.db2.gz JFQFDGDLQWDITH-GOSISDBHSA-N 0 0 389.839 4.416 20 5 GIBDRN CS[C@@H](C)C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180301202 822659769 /nfs/dbraw/zinc/65/97/69/822659769.db2.gz QFYDKGFGHNUTPV-LBPRGKRZSA-N 0 0 379.507 4.459 20 5 GIBDRN Cc1cccnc1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000184640604 822669802 /nfs/dbraw/zinc/66/98/02/822669802.db2.gz YDCHXVAIFJDTDV-INIZCTEOSA-N 0 0 376.844 4.148 20 5 GIBDRN O=C(Nc1c(F)cc(Cl)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000180358682 822669869 /nfs/dbraw/zinc/66/98/69/822669869.db2.gz IIWANMHVVDEYAV-UHFFFAOYSA-N 0 0 381.766 4.379 20 5 GIBDRN Cc1c(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000180395530 822675214 /nfs/dbraw/zinc/67/52/14/822675214.db2.gz HUXYCXAYIZDHAK-UHFFFAOYSA-N 0 0 385.420 4.431 20 5 GIBDRN C[C@H](NCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412161 822677535 /nfs/dbraw/zinc/67/75/35/822677535.db2.gz LAJOBPHDHQPVRX-NEPJUHHUSA-N 0 0 397.504 4.157 20 5 GIBDRN O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(Br)cc1F ZINC000048760109 822681585 /nfs/dbraw/zinc/68/15/85/822681585.db2.gz ZXKMDJNMQDYEHM-UHFFFAOYSA-N 0 0 391.978 4.446 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1NCC1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000180446732 822683545 /nfs/dbraw/zinc/68/35/45/822683545.db2.gz XGZIEPKLRBPTEA-UHFFFAOYSA-N 0 0 377.832 4.216 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455620387 822685346 /nfs/dbraw/zinc/68/53/46/822685346.db2.gz JPQGKBFCPUETSX-AEFFLSMTSA-N 0 0 389.402 4.490 20 5 GIBDRN Cc1sc(C(=O)N(C)Cc2csc(Br)c2)cc1[N+](=O)[O-] ZINC000048969660 822689932 /nfs/dbraw/zinc/68/99/32/822689932.db2.gz SJNOZVTXIQKUQI-UHFFFAOYSA-N 0 0 375.269 4.061 20 5 GIBDRN COc1ccc(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000049080152 822692410 /nfs/dbraw/zinc/69/24/10/822692410.db2.gz NNOFGIUEQSBMCG-UHFFFAOYSA-N 0 0 386.448 4.182 20 5 GIBDRN C[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184809347 822693860 /nfs/dbraw/zinc/69/38/60/822693860.db2.gz QTDTZOVAKQMUFA-HNNXBMFYSA-N 0 0 385.439 4.096 20 5 GIBDRN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000180542373 822699123 /nfs/dbraw/zinc/69/91/23/822699123.db2.gz OKZCQRATNTZRGE-UHFFFAOYSA-N 0 0 394.284 4.191 20 5 GIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c21 ZINC000049624340 822703106 /nfs/dbraw/zinc/70/31/06/822703106.db2.gz YKOITKGWPIXBKV-UHFFFAOYSA-N 0 0 392.415 4.335 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000049653333 822704211 /nfs/dbraw/zinc/70/42/11/822704211.db2.gz ZOWBNHNLGSDDNW-GFCCVEGCSA-N 0 0 382.338 4.335 20 5 GIBDRN CCCOc1ccc(CN(CCC)C(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000049984916 822713389 /nfs/dbraw/zinc/71/33/89/822713389.db2.gz XUPACKMUSXVGGM-UHFFFAOYSA-N 0 0 376.409 4.038 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000184922858 822713510 /nfs/dbraw/zinc/71/35/10/822713510.db2.gz ZPFYLZAUAALCLT-NSHDSACASA-N 0 0 378.400 4.225 20 5 GIBDRN CCc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000180623050 822714542 /nfs/dbraw/zinc/71/45/42/822714542.db2.gz JBJUJJPCYXPIOK-UHFFFAOYSA-N 0 0 395.257 4.025 20 5 GIBDRN C[C@@H](CN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000184954620 822718033 /nfs/dbraw/zinc/71/80/33/822718033.db2.gz YBFITPGEDCQFIJ-JTQLQIEISA-N 0 0 385.898 4.059 20 5 GIBDRN CCCn1ncc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C1CC1 ZINC000455755768 822720322 /nfs/dbraw/zinc/72/03/22/822720322.db2.gz PCQZOCMVZHIAHC-UHFFFAOYSA-N 0 0 383.452 4.275 20 5 GIBDRN C[C@H](C(=O)NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000184999530 822723770 /nfs/dbraw/zinc/72/37/70/822723770.db2.gz QEEPKHDUQHXDFC-ZDUSSCGKSA-N 0 0 399.447 4.320 20 5 GIBDRN C[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000184999735 822723839 /nfs/dbraw/zinc/72/38/39/822723839.db2.gz SCSYPKYJPQQXEG-GFCCVEGCSA-N 0 0 385.420 4.277 20 5 GIBDRN COCCN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050289464 822723853 /nfs/dbraw/zinc/72/38/53/822723853.db2.gz GJEFTWNECRSFJW-UHFFFAOYSA-N 0 0 397.456 4.007 20 5 GIBDRN O=C(Nc1cccc(-c2nnco2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050311170 822724774 /nfs/dbraw/zinc/72/47/74/822724774.db2.gz AFTNCTOJYVQLHD-UHFFFAOYSA-N 0 0 393.384 4.021 20 5 GIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000185030650 822727094 /nfs/dbraw/zinc/72/70/94/822727094.db2.gz RGFRHXRXYHXDES-UHFFFAOYSA-N 0 0 394.358 4.248 20 5 GIBDRN CC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000185051942 822729573 /nfs/dbraw/zinc/72/95/73/822729573.db2.gz ZKEICIIGFZERAZ-UHFFFAOYSA-N 0 0 377.194 4.121 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccncc2)cc1 ZINC000050487830 822731124 /nfs/dbraw/zinc/73/11/24/822731124.db2.gz IJZLNJLTWMTOBS-UHFFFAOYSA-N 0 0 379.372 4.190 20 5 GIBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2[nH]1 ZINC000050611922 822734874 /nfs/dbraw/zinc/73/48/74/822734874.db2.gz CEPQWSYRRYURJE-LLVKDONJSA-N 0 0 393.428 4.086 20 5 GIBDRN CCCN(CCc1ccccn1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050630173 822735131 /nfs/dbraw/zinc/73/51/31/822735131.db2.gz JKCDZYUBDYWCPC-UHFFFAOYSA-N 0 0 396.472 4.208 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)CSc2ccc(Cl)cc21 ZINC000185107484 822737977 /nfs/dbraw/zinc/73/79/77/822737977.db2.gz VTAIISRNYHUFHM-JTQLQIEISA-N 0 0 377.853 4.340 20 5 GIBDRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000050862432 822740240 /nfs/dbraw/zinc/74/02/40/822740240.db2.gz GFPAATFMJFXQAQ-UWJYYQICSA-N 0 0 393.443 4.316 20 5 GIBDRN O=[N+]([O-])c1ccc(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000185154895 822743642 /nfs/dbraw/zinc/74/36/42/822743642.db2.gz DYNOZGJHAOLKKC-UHFFFAOYSA-N 0 0 399.329 4.021 20 5 GIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1cccc(Oc2ccccc2)c1 ZINC000185170176 822745157 /nfs/dbraw/zinc/74/51/57/822745157.db2.gz QZUVHHWJFFSOTN-UHFFFAOYSA-N 0 0 378.388 4.100 20 5 GIBDRN CCc1cccc2c(CCNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c[nH]c21 ZINC000185236651 822753021 /nfs/dbraw/zinc/75/30/21/822753021.db2.gz BWXMRMALYOPNJY-ZDUSSCGKSA-N 0 0 383.423 4.240 20 5 GIBDRN COC(=O)[C@](C)(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000185282697 822759394 /nfs/dbraw/zinc/75/93/94/822759394.db2.gz YJITWLPEQORPEG-QGZVFWFLSA-N 0 0 383.231 4.080 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000185292579 822760781 /nfs/dbraw/zinc/76/07/81/822760781.db2.gz IXWWJHYKYYCGRP-HKUYNNGSSA-N 0 0 382.460 4.188 20 5 GIBDRN CNc1nc(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)ccc1[N+](=O)[O-] ZINC000456000820 822764474 /nfs/dbraw/zinc/76/44/74/822764474.db2.gz FPIPEDBFPUICDV-CKXPSTMWSA-N 0 0 386.477 4.191 20 5 GIBDRN Cc1cnc([C@@H](N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)s1 ZINC000185324082 822765987 /nfs/dbraw/zinc/76/59/87/822765987.db2.gz KYLHXMJAYLPHLM-ABAIWWIYSA-N 0 0 385.449 4.212 20 5 GIBDRN Cc1c(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cccc1N1CCOC1=O ZINC000174303942 822767701 /nfs/dbraw/zinc/76/77/01/822767701.db2.gz GBTAHPDMWIHSAF-UHFFFAOYSA-N 0 0 385.420 4.259 20 5 GIBDRN C[C@H](Nc1cccc(Oc2ccccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174351717 822776638 /nfs/dbraw/zinc/77/66/38/822776638.db2.gz CTARNYUFGMANLR-AWEZNQCLSA-N 0 0 378.388 4.221 20 5 GIBDRN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1SCCc2ccccc21 ZINC000174352635 822776678 /nfs/dbraw/zinc/77/66/78/822776678.db2.gz NBDNHHDTACJBTB-SFHVURJKSA-N 0 0 396.424 4.324 20 5 GIBDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456115502 822779604 /nfs/dbraw/zinc/77/96/04/822779604.db2.gz IFUAYJQQDNAICB-QWRGUYRKSA-N 0 0 394.777 4.207 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000185409038 822780072 /nfs/dbraw/zinc/78/00/72/822780072.db2.gz YPJHVOTXJQPYOF-INIZCTEOSA-N 0 0 379.416 4.135 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000185426530 822782406 /nfs/dbraw/zinc/78/24/06/822782406.db2.gz DCISUKJOYVAVKM-FUHWJXTLSA-N 0 0 392.459 4.227 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000185426349 822782443 /nfs/dbraw/zinc/78/24/43/822782443.db2.gz BERSWAHZYCTKOT-OAHLLOKOSA-N 0 0 394.431 4.415 20 5 GIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174403414 822785331 /nfs/dbraw/zinc/78/53/31/822785331.db2.gz UGEMVBIRIDWREM-GJZGRUSLSA-N 0 0 391.518 4.465 20 5 GIBDRN 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383.857 4.074 20 5 GIBDRN Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)nn1-c1cccc(F)c1 ZINC000185557047 822796131 /nfs/dbraw/zinc/79/61/31/822796131.db2.gz GVUYQLNDTQTHJP-GFCCVEGCSA-N 0 0 386.358 4.109 20 5 GIBDRN COCCOc1ccc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])cc1OC ZINC000052359887 822797288 /nfs/dbraw/zinc/79/72/88/822797288.db2.gz RVRORDYVLOABFH-CQSZACIVSA-N 0 0 397.431 4.350 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000185573617 822798047 /nfs/dbraw/zinc/79/80/47/822798047.db2.gz PKHYEPRXQWAPSW-QGZVFWFLSA-N 0 0 378.432 4.296 20 5 GIBDRN CC(=O)c1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000052407321 822798260 /nfs/dbraw/zinc/79/82/60/822798260.db2.gz OQOYXIQFARQSQS-UHFFFAOYSA-N 0 0 397.408 4.423 20 5 GIBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000052410641 822798394 /nfs/dbraw/zinc/79/83/94/822798394.db2.gz CGEZHUUOZPAONM-LBPRGKRZSA-N 0 0 389.839 4.079 20 5 GIBDRN COc1cccc(Oc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cn2)c1 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DQTDTOLKVBBZFA-ZFWWWQNUSA-N 0 0 388.493 4.365 20 5 GIBDRN C[C@@H](c1nccs1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000185616091 822802630 /nfs/dbraw/zinc/80/26/30/822802630.db2.gz UOAKSXQZOQZMOV-HNNXBMFYSA-N 0 0 398.488 4.190 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H](c4cccc(Cl)c4)C3)co2)cc1 ZINC000185626698 822803897 /nfs/dbraw/zinc/80/38/97/822803897.db2.gz GYQMTLXQQIUFJD-IBGZPJMESA-N 0 0 399.834 4.477 20 5 GIBDRN O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052606332 822804872 /nfs/dbraw/zinc/80/48/72/822804872.db2.gz HCYGUURPOBZFRY-UHFFFAOYSA-N 0 0 377.322 4.067 20 5 GIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000052610586 822804993 /nfs/dbraw/zinc/80/49/93/822804993.db2.gz YPYVFKVYJIJLKH-IBGZPJMESA-N 0 0 395.415 4.071 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000052614309 822805311 /nfs/dbraw/zinc/80/53/11/822805311.db2.gz HNAZQZNNQWBRQP-FQEVSTJZSA-N 0 0 379.416 4.452 20 5 GIBDRN 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380.356 4.106 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCC(C)C)cn2)cc1OC ZINC000456785189 822830737 /nfs/dbraw/zinc/83/07/37/822830737.db2.gz NOOYADBZQYWITD-UHFFFAOYSA-N 0 0 387.436 4.238 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000174753912 822832715 /nfs/dbraw/zinc/83/27/15/822832715.db2.gz MAPLMEBHCMIFMW-GJZGRUSLSA-N 0 0 396.472 4.139 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCSCc1cccc2ccccc21 ZINC000053411184 822833488 /nfs/dbraw/zinc/83/34/88/822833488.db2.gz SAWREAGUFDBVNS-UHFFFAOYSA-N 0 0 381.457 4.115 20 5 GIBDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185920692 822833749 /nfs/dbraw/zinc/83/37/49/822833749.db2.gz BMTDFIUWLIBUCA-UHFFFAOYSA-N 0 0 377.404 4.181 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC000456820262 822834887 /nfs/dbraw/zinc/83/48/87/822834887.db2.gz AQGVGZXOLZCLNF-HNNXBMFYSA-N 0 0 378.400 4.329 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456822209 822835187 /nfs/dbraw/zinc/83/51/87/822835187.db2.gz CVLLTSPOZQVESA-KRWDZBQOSA-N 0 0 382.313 4.057 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc1 ZINC000053455702 822835628 /nfs/dbraw/zinc/83/56/28/822835628.db2.gz WMCMFKYWNNVGLZ-CQSZACIVSA-N 0 0 377.404 4.119 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC000456830910 822836054 /nfs/dbraw/zinc/83/60/54/822836054.db2.gz IREMUQNOUVQNQV-INIZCTEOSA-N 0 0 376.359 4.006 20 5 GIBDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185965936 822838666 /nfs/dbraw/zinc/83/86/66/822838666.db2.gz FRTKPCWSJPXKTD-OAHLLOKOSA-N 0 0 381.215 4.115 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccc(Cl)c2)o1 ZINC000053539115 822839756 /nfs/dbraw/zinc/83/97/56/822839756.db2.gz UMDWTOGXSGVRCN-UHFFFAOYSA-N 0 0 377.809 4.469 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185981590 822840749 /nfs/dbraw/zinc/84/07/49/822840749.db2.gz AZLHHXKCFMRZMG-UHFFFAOYSA-N 0 0 375.454 4.056 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000456916421 822841437 /nfs/dbraw/zinc/84/14/37/822841437.db2.gz AFLOMHPRTVCBRV-QAQDUYKDSA-N 0 0 382.460 4.286 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000174826505 822842487 /nfs/dbraw/zinc/84/24/87/822842487.db2.gz WGJUBEQGADEZKO-UHFFFAOYSA-N 0 0 393.447 4.282 20 5 GIBDRN COc1cccc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000186004317 822843031 /nfs/dbraw/zinc/84/30/31/822843031.db2.gz LZFMGSJRNYGYFM-SFHVURJKSA-N 0 0 389.839 4.304 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000186016930 822844053 /nfs/dbraw/zinc/84/40/53/822844053.db2.gz DJLVWVRYQWYWOW-UHFFFAOYSA-N 0 0 382.445 4.122 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000186027184 822845016 /nfs/dbraw/zinc/84/50/16/822845016.db2.gz AJGQYWBJEXRKIB-QWHCGFSZSA-N 0 0 376.334 4.095 20 5 GIBDRN Cc1csc([C@@H](C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000186039443 822846287 /nfs/dbraw/zinc/84/62/87/822846287.db2.gz GYPPYVBZIIRDSI-JTQLQIEISA-N 0 0 388.474 4.017 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000457035647 822847357 /nfs/dbraw/zinc/84/73/57/822847357.db2.gz LFMDRMYXVWBKMS-MRXNPFEDSA-N 0 0 384.432 4.276 20 5 GIBDRN Cc1ccnc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000053760573 822847356 /nfs/dbraw/zinc/84/73/56/822847356.db2.gz QGICRWJDJXLGAQ-AWEZNQCLSA-N 0 0 377.404 4.119 20 5 GIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000053794206 822848243 /nfs/dbraw/zinc/84/82/43/822848243.db2.gz HNRUFIBRWZCNSK-LBPRGKRZSA-N 0 0 389.839 4.163 20 5 GIBDRN CNc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000053820859 822849432 /nfs/dbraw/zinc/84/94/32/822849432.db2.gz VHHYJPVFEGYJSA-UHFFFAOYSA-N 0 0 390.399 4.141 20 5 GIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887495 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CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000457894106 822929562 /nfs/dbraw/zinc/92/95/62/822929562.db2.gz QTAUJAGMJADVQU-LBPRGKRZSA-N 0 0 377.441 4.368 20 5 GIBDRN CSc1cccc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000186655290 822930422 /nfs/dbraw/zinc/93/04/22/822930422.db2.gz VLXMVOJEHIGZRB-UHFFFAOYSA-N 0 0 391.396 4.064 20 5 GIBDRN CC[C@H](NC(=O)c1ccccc1)c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000569505741 822931228 /nfs/dbraw/zinc/93/12/28/822931228.db2.gz FNWBJOJCNOEGFW-INIZCTEOSA-N 0 0 391.387 4.007 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000569510670 822932044 /nfs/dbraw/zinc/93/20/44/822932044.db2.gz NLZGDJYPCGLWRH-GFCCVEGCSA-N 0 0 386.166 4.296 20 5 GIBDRN C[C@H]1C[C@H]1CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513854 822932638 /nfs/dbraw/zinc/93/26/38/822932638.db2.gz SPRDZHWLYGABIZ-HOTGVXAUSA-N 0 0 399.516 4.014 20 5 GIBDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000175319778 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382.798 4.026 20 5 GIBDRN COc1ccc([C@@H](OC)[C@H](C)Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413219324 823730739 /nfs/dbraw/zinc/73/07/39/823730739.db2.gz MDGYMEOEOKVZBN-BONVTDFDSA-N 0 0 385.342 4.205 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)n1 ZINC000191679715 823730974 /nfs/dbraw/zinc/73/09/74/823730974.db2.gz NZFFRKJMWLYEQR-INIZCTEOSA-N 0 0 376.844 4.126 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)OCCc3ccsc34)c2c1 ZINC000413229009 823733747 /nfs/dbraw/zinc/73/37/47/823733747.db2.gz HARWZRPSPRZREA-UHFFFAOYSA-N 0 0 381.457 4.273 20 5 GIBDRN CCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)ccc21 ZINC000413235435 823735211 /nfs/dbraw/zinc/73/52/11/823735211.db2.gz PZFXDBQFOZLFFS-UHFFFAOYSA-N 0 0 380.326 4.051 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000413242579 823736792 /nfs/dbraw/zinc/73/67/92/823736792.db2.gz WUNKGBGBSPWIEU-SWLSCSKDSA-N 0 0 385.317 4.480 20 5 GIBDRN 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GIBDRN O=C(Cc1csc(-c2ccccc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163891626 823757966 /nfs/dbraw/zinc/75/79/66/823757966.db2.gz FYADZWHBJUAZLB-UHFFFAOYSA-N 0 0 393.468 4.452 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000413355358 823758729 /nfs/dbraw/zinc/75/87/29/823758729.db2.gz HVXBBWHOQRQEDZ-LJHODMEESA-N 0 0 383.448 4.076 20 5 GIBDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000461929659 823761467 /nfs/dbraw/zinc/76/14/67/823761467.db2.gz XDNCQZOHUCOOEW-KRWDZBQOSA-N 0 0 382.464 4.344 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c(F)c1 ZINC000413372883 823762577 /nfs/dbraw/zinc/76/25/77/823762577.db2.gz GIHJKSGGFGWSCU-OAHLLOKOSA-N 0 0 375.791 4.390 20 5 GIBDRN Cc1cc(N2CC[C@@H](OCc3ccncc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934637 823764584 /nfs/dbraw/zinc/76/45/84/823764584.db2.gz HUXZWGUFDIJANR-CQSZACIVSA-N 0 0 381.354 4.113 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1 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392.415 4.079 20 5 GIBDRN CCC(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000120760266 823058644 /nfs/dbraw/zinc/05/86/44/823058644.db2.gz OZAPWKSTCUGXEJ-UHFFFAOYSA-N 0 0 391.221 4.131 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000175865889 823059128 /nfs/dbraw/zinc/05/91/28/823059128.db2.gz IYVPXTUKNJOBFB-JTQLQIEISA-N 0 0 398.282 4.288 20 5 GIBDRN O=C(N[C@H](c1cccnc1)C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458580960 823059102 /nfs/dbraw/zinc/05/91/02/823059102.db2.gz MCOABZGCYVRSLZ-ICSRJNTNSA-N 0 0 380.448 4.030 20 5 GIBDRN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc([N+](=O)[O-])nc1 ZINC000570601311 823060443 /nfs/dbraw/zinc/06/04/43/823060443.db2.gz RGFAWICGQWCXME-UHFFFAOYSA-N 0 0 383.427 4.368 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000570611390 823061899 /nfs/dbraw/zinc/06/18/99/823061899.db2.gz ZSBQDPADISWOTO-BTYIYWSLSA-N 0 0 398.484 4.072 20 5 GIBDRN Cc1nc(CCCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000175886301 823063630 /nfs/dbraw/zinc/06/36/30/823063630.db2.gz ZRXOKVVULJMADO-UHFFFAOYSA-N 0 0 387.417 4.081 20 5 GIBDRN Cc1nc2cc(Br)cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2o1 ZINC000187438192 823063716 /nfs/dbraw/zinc/06/37/16/823063716.db2.gz SJSSYCRPBUDGIA-UHFFFAOYSA-N 0 0 390.193 4.368 20 5 GIBDRN CC(C)OCCOCc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000175905223 823068766 /nfs/dbraw/zinc/06/87/66/823068766.db2.gz XEYJRNXOAFWRNY-UHFFFAOYSA-N 0 0 392.839 4.442 20 5 GIBDRN COc1cc(C)c([C@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC000120853105 823076871 /nfs/dbraw/zinc/07/68/71/823076871.db2.gz IOMZJDQFCULWOU-NSHDSACASA-N 0 0 378.812 4.065 20 5 GIBDRN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000187506176 823077009 /nfs/dbraw/zinc/07/70/09/823077009.db2.gz ACODJSUFIQDVQF-HNNXBMFYSA-N 0 0 380.857 4.060 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000570716792 823075086 /nfs/dbraw/zinc/07/50/86/823075086.db2.gz MTMUHTQOLQGUEG-QMTHXVAHSA-N 0 0 397.273 4.070 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1cccc(Cl)c1Cl ZINC000570717487 823075115 /nfs/dbraw/zinc/07/51/15/823075115.db2.gz CPZQECIVYHIIKT-UHFFFAOYSA-N 0 0 389.185 4.081 20 5 GIBDRN Cc1cccc([C@H]2CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000056002027 823077734 /nfs/dbraw/zinc/07/77/34/823077734.db2.gz DVBWXJKOIBCHMR-HXUWFJFHSA-N 0 0 376.416 4.066 20 5 GIBDRN COc1cc(CN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1SC ZINC000175943880 823078271 /nfs/dbraw/zinc/07/82/71/823078271.db2.gz XMDUVHPICSWDGA-UHFFFAOYSA-N 0 0 380.853 4.251 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc2ccccc21 ZINC000120860456 823078455 /nfs/dbraw/zinc/07/84/55/823078455.db2.gz VROOVTNBHPNQGY-UHFFFAOYSA-N 0 0 391.427 4.124 20 5 GIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000570735767 823078600 /nfs/dbraw/zinc/07/86/00/823078600.db2.gz XMABFWNSARPVSD-FMIVXFBMSA-N 0 0 393.403 4.345 20 5 GIBDRN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1)c1ccoc1 ZINC000175976472 823086628 /nfs/dbraw/zinc/08/66/28/823086628.db2.gz UMLBLMLSDMQPPF-UHFFFAOYSA-N 0 0 385.763 4.346 20 5 GIBDRN Cc1ccccc1-n1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000120906160 823084865 /nfs/dbraw/zinc/08/48/65/823084865.db2.gz UGUCLBMNCJMYOE-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000175973695 823086070 /nfs/dbraw/zinc/08/60/70/823086070.db2.gz JCFZJLBGHWTITE-UHFFFAOYSA-N 0 0 389.314 4.032 20 5 GIBDRN O=C(CCSc1nc2ccccc2s1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000056147122 823088123 /nfs/dbraw/zinc/08/81/23/823088123.db2.gz RJXZNRMERXMLSB-UHFFFAOYSA-N 0 0 387.486 4.046 20 5 GIBDRN CC(C)c1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000120932337 823088764 /nfs/dbraw/zinc/08/87/64/823088764.db2.gz GYSJAOSDFMBOQO-UHFFFAOYSA-N 0 0 386.742 4.015 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(F)(F)F)n1C1CC1 ZINC000570809640 823089970 /nfs/dbraw/zinc/08/99/70/823089970.db2.gz DVHSKFPVSBUSTO-UHFFFAOYSA-N 0 0 383.374 4.041 20 5 GIBDRN Cc1cc(C)n(Cc2cccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)c2)n1 ZINC000120967725 823094647 /nfs/dbraw/zinc/09/46/47/823094647.db2.gz RFRIUZBHDRAEKS-UHFFFAOYSA-N 0 0 390.443 4.049 20 5 GIBDRN COc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000121011376 823102698 /nfs/dbraw/zinc/10/26/98/823102698.db2.gz RRWBZWPPQTVXEF-UHFFFAOYSA-N 0 0 398.459 4.174 20 5 GIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(COc2nc(Cc3ccc(F)cc3)no2)c1 ZINC000570868262 823098926 /nfs/dbraw/zinc/09/89/26/823098926.db2.gz UHFYONBKMALZLR-UHFFFAOYSA-N 0 0 397.284 4.306 20 5 GIBDRN C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056187759 823099300 /nfs/dbraw/zinc/09/93/00/823099300.db2.gz USPIWLWDCVNBPQ-HNNXBMFYSA-N 0 0 392.415 4.008 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000570872372 823099490 /nfs/dbraw/zinc/09/94/90/823099490.db2.gz FNFHBBHTPPAPBU-SNVBAGLBSA-N 0 0 386.301 4.417 20 5 GIBDRN C[C@H](Nc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056188718 823099775 /nfs/dbraw/zinc/09/97/75/823099775.db2.gz CQHHYDIPTXYISN-HNNXBMFYSA-N 0 0 395.415 4.344 20 5 GIBDRN C[C@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458894517 823103045 /nfs/dbraw/zinc/10/30/45/823103045.db2.gz YXOBSAYUXXVTJM-AWEZNQCLSA-N 0 0 386.427 4.081 20 5 GIBDRN C[C@H](NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000458891203 823102651 /nfs/dbraw/zinc/10/26/51/823102651.db2.gz QYSUHNCMMONPDC-SUMWQHHRSA-N 0 0 399.451 4.243 20 5 GIBDRN CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000056227199 823108126 /nfs/dbraw/zinc/10/81/26/823108126.db2.gz FKDFWCCINIFLRZ-UHFFFAOYSA-N 0 0 390.264 4.091 20 5 GIBDRN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1F ZINC000056249044 823112207 /nfs/dbraw/zinc/11/22/07/823112207.db2.gz YEUIOQAGKIBRGK-UHFFFAOYSA-N 0 0 378.772 4.158 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000187690761 823113663 /nfs/dbraw/zinc/11/36/63/823113663.db2.gz QWHLALBADKWSHR-CQSZACIVSA-N 0 0 384.379 4.393 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccccc1Br ZINC000121092015 823116988 /nfs/dbraw/zinc/11/69/88/823116988.db2.gz YLPKXIZPTMSJID-QGZVFWFLSA-N 0 0 389.249 4.264 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000121103483 823119134 /nfs/dbraw/zinc/11/91/34/823119134.db2.gz XBOVZPDBIILYSF-KRWDZBQOSA-N 0 0 381.388 4.104 20 5 GIBDRN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)c1cc2ccccc2o1 ZINC000056278134 823119729 /nfs/dbraw/zinc/11/97/29/823119729.db2.gz OMPOEGSFQRWNDU-GFCCVEGCSA-N 0 0 378.388 4.441 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000121115715 823121236 /nfs/dbraw/zinc/12/12/36/823121236.db2.gz TUQVZKQOZKSTKV-UHFFFAOYSA-N 0 0 398.793 4.441 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000056287729 823121577 /nfs/dbraw/zinc/12/15/77/823121577.db2.gz CUTPGCZXFNVMBR-UHFFFAOYSA-N 0 0 389.433 4.032 20 5 GIBDRN CC(C)C(=O)Nc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000056288388 823121829 /nfs/dbraw/zinc/12/18/29/823121829.db2.gz MNCXUUYIJBRENM-UHFFFAOYSA-N 0 0 383.448 4.240 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000056288405 823122097 /nfs/dbraw/zinc/12/20/97/823122097.db2.gz BLLDYCCZXGHIFQ-FOIQADDNSA-N 0 0 395.459 4.240 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000056288719 823122109 /nfs/dbraw/zinc/12/21/09/823122109.db2.gz WIAJIKUYQISAOF-UHFFFAOYSA-N 0 0 388.468 4.035 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)C2)c1 ZINC000459073177 823124222 /nfs/dbraw/zinc/12/42/22/823124222.db2.gz OJSBWYAJFWJOQF-WGSAOQKQSA-N 0 0 397.475 4.470 20 5 GIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(Cc2cccs2)CCCCC1 ZINC000571051872 823125317 /nfs/dbraw/zinc/12/53/17/823125317.db2.gz BTQSMTRROHWEGL-UHFFFAOYSA-N 0 0 398.488 4.342 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056331577 823129400 /nfs/dbraw/zinc/12/94/00/823129400.db2.gz WINDJZSKWVFBIL-LLVKDONJSA-N 0 0 383.326 4.054 20 5 GIBDRN COc1cccc(-c2nc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)c1 ZINC000571091851 823130748 /nfs/dbraw/zinc/13/07/48/823130748.db2.gz FXOXTWIAJSNHDW-UHFFFAOYSA-N 0 0 397.456 4.122 20 5 GIBDRN Cc1cccc2c(CCNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c[nH]c21 ZINC000571109801 823133605 /nfs/dbraw/zinc/13/36/05/823133605.db2.gz LXHWGTJNGUNDTE-UHFFFAOYSA-N 0 0 391.349 4.376 20 5 GIBDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056349742 823133974 /nfs/dbraw/zinc/13/39/74/823133974.db2.gz VSGGTODWUDUSOH-HNNXBMFYSA-N 0 0 395.415 4.276 20 5 GIBDRN Cc1cc(=O)n(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000176142768 823134327 /nfs/dbraw/zinc/13/43/27/823134327.db2.gz YFTMEJTXRHQHLI-UHFFFAOYSA-N 0 0 395.440 4.005 20 5 GIBDRN CC(C)[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000056374064 823139222 /nfs/dbraw/zinc/13/92/22/823139222.db2.gz PJFSVSKFOVBFFK-VLIAUNLRSA-N 0 0 399.447 4.124 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2cccnc21 ZINC000176168914 823142517 /nfs/dbraw/zinc/14/25/17/823142517.db2.gz IFUNUGSXPQRZAV-UHFFFAOYSA-N 0 0 386.205 4.087 20 5 GIBDRN Cc1sc(C(=O)N[C@H](C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000571171912 823143796 /nfs/dbraw/zinc/14/37/96/823143796.db2.gz DACFTYXDIAUNDN-SSDOTTSWSA-N 0 0 387.230 4.357 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1)[C@@H]1C[C@@H]1C ZINC000571216745 823150122 /nfs/dbraw/zinc/15/01/22/823150122.db2.gz XHEBWHULEQZQMS-MRRFBWAASA-N 0 0 399.422 4.237 20 5 GIBDRN C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571225300 823151654 /nfs/dbraw/zinc/15/16/54/823151654.db2.gz NTTRAKVJLXJXRO-FJNPEDAXSA-N 0 0 392.814 4.137 20 5 GIBDRN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000571239471 823153777 /nfs/dbraw/zinc/15/37/77/823153777.db2.gz RHBFNDHDILCQLD-UONOGXRCSA-N 0 0 395.640 4.297 20 5 GIBDRN CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2c1 ZINC000176212158 823153802 /nfs/dbraw/zinc/15/38/02/823153802.db2.gz XZJNRBZLWICARK-UHFFFAOYSA-N 0 0 390.808 4.069 20 5 GIBDRN Cc1c(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000571239609 823153816 /nfs/dbraw/zinc/15/38/16/823153816.db2.gz FVOKBUGMXOLRSG-NSHDSACASA-N 0 0 396.163 4.128 20 5 GIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3)oc21 ZINC000056459470 823154278 /nfs/dbraw/zinc/15/42/78/823154278.db2.gz IRUQYWCGKUTIBU-CYBMUJFWSA-N 0 0 383.404 4.300 20 5 GIBDRN CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCCO2 ZINC000176224277 823156952 /nfs/dbraw/zinc/15/69/52/823156952.db2.gz OEZBEMLWLDPSLK-OAHLLOKOSA-N 0 0 385.420 4.256 20 5 GIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056504008 823159954 /nfs/dbraw/zinc/15/99/54/823159954.db2.gz ONDZZYHUWFPKBM-UHFFFAOYSA-N 0 0 393.447 4.370 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176248212 823162663 /nfs/dbraw/zinc/16/26/63/823162663.db2.gz VILNYSRZSGCCML-WFASDCNBSA-N 0 0 380.853 4.038 20 5 GIBDRN COc1cc(-c2nc(Cc3csc(C(C)(C)C)n3)no2)cc([N+](=O)[O-])c1C ZINC000571363403 823171535 /nfs/dbraw/zinc/17/15/35/823171535.db2.gz ZSHUILKVHSUSQG-UHFFFAOYSA-N 0 0 388.449 4.307 20 5 GIBDRN CC(C)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000176303654 823177072 /nfs/dbraw/zinc/17/70/72/823177072.db2.gz MRMWNDMPJYLHNS-LJQANCHMSA-N 0 0 380.448 4.307 20 5 GIBDRN CC(C)CCn1c(COc2ccccc2)nnc1Sc1ncccc1[N+](=O)[O-] ZINC000121398318 823177260 /nfs/dbraw/zinc/17/72/60/823177260.db2.gz IQQBDCJJNIZHOV-UHFFFAOYSA-N 0 0 399.476 4.358 20 5 GIBDRN CC(C)[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000571409623 823178766 /nfs/dbraw/zinc/17/87/66/823178766.db2.gz JUBLDQUPQXMLON-UHFFFAOYSA-N 0 0 392.839 4.236 20 5 GIBDRN O=C(Nc1cccc(OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1)c1ccco1 ZINC000121424615 823181815 /nfs/dbraw/zinc/18/18/15/823181815.db2.gz IZXHMBNSCUMYOD-UHFFFAOYSA-N 0 0 386.747 4.313 20 5 GIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000188081262 823183516 /nfs/dbraw/zinc/18/35/16/823183516.db2.gz MHCXLAKXQYBVHV-KRWDZBQOSA-N 0 0 382.416 4.025 20 5 GIBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000121455967 823188179 /nfs/dbraw/zinc/18/81/79/823188179.db2.gz JDEIYMQQZFWTHY-KPZWWZAWSA-N 0 0 389.249 4.119 20 5 GIBDRN CSc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000188081394 823183559 /nfs/dbraw/zinc/18/35/59/823183559.db2.gz YGCZUWHHSJVVKR-UHFFFAOYSA-N 0 0 389.452 4.173 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1[N+](=O)[O-] ZINC000188170671 823197568 /nfs/dbraw/zinc/19/75/68/823197568.db2.gz IXBQRGIFWRGVFG-GFCCVEGCSA-N 0 0 383.429 4.463 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000176394100 823197924 /nfs/dbraw/zinc/19/79/24/823197924.db2.gz IUFQYEZIQUCTQW-JKSUJKDBSA-N 0 0 393.447 4.210 20 5 GIBDRN COc1ccc(OC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000571584965 823204089 /nfs/dbraw/zinc/20/40/89/823204089.db2.gz UEYBCJJIQJFIQI-UHFFFAOYSA-N 0 0 379.416 4.199 20 5 GIBDRN O=C(Nc1cc2c(cn1)CCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000571594443 823205260 /nfs/dbraw/zinc/20/52/60/823205260.db2.gz SJKPCHKGJCFHHG-UHFFFAOYSA-N 0 0 389.411 4.310 20 5 GIBDRN COc1cccc(C2(c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000571601267 823206246 /nfs/dbraw/zinc/20/62/46/823206246.db2.gz SMXWRTCSDFBKOB-UHFFFAOYSA-N 0 0 379.416 4.392 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000188235481 823207438 /nfs/dbraw/zinc/20/74/38/823207438.db2.gz PUMBYEGJVRQISP-OAHLLOKOSA-N 0 0 377.491 4.105 20 5 GIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571609215 823208183 /nfs/dbraw/zinc/20/81/83/823208183.db2.gz OQRNTWGFSGSGAE-AWEZNQCLSA-N 0 0 395.415 4.315 20 5 GIBDRN CC(C)(C)c1csc(CS(=O)(=O)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000176441840 823208397 /nfs/dbraw/zinc/20/83/97/823208397.db2.gz BQVJJQGREJWCLG-UHFFFAOYSA-N 0 0 388.898 4.117 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000176454520 823211105 /nfs/dbraw/zinc/21/11/05/823211105.db2.gz BPFFVWSROPQECW-CQSZACIVSA-N 0 0 384.436 4.086 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000459525038 823211284 /nfs/dbraw/zinc/21/12/84/823211284.db2.gz WWWLTPRLYNQIJK-KRWDZBQOSA-N 0 0 389.477 4.299 20 5 GIBDRN O=[N+]([O-])c1ccc(CSc2nnc3ccc(Br)cn32)c(Cl)c1 ZINC000571659587 823215504 /nfs/dbraw/zinc/21/55/04/823215504.db2.gz ZPYBBHNUEDQPKE-UHFFFAOYSA-N 0 0 399.657 4.346 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000459591447 823226296 /nfs/dbraw/zinc/22/62/96/823226296.db2.gz ZQUTUCVLGNIROS-KRWDZBQOSA-N 0 0 389.477 4.244 20 5 GIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000409476039 823229584 /nfs/dbraw/zinc/22/95/84/823229584.db2.gz KBLSKCIIWWSIHT-AWEZNQCLSA-N 0 0 390.399 4.326 20 5 GIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H](C)c2cncc(F)c2)cc1OC ZINC000459623406 823231410 /nfs/dbraw/zinc/23/14/10/823231410.db2.gz SAWVDWJGYMZIGN-KBPBESRZSA-N 0 0 391.443 4.413 20 5 GIBDRN COc1ccc(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000121713626 823235736 /nfs/dbraw/zinc/23/57/36/823235736.db2.gz CUFAIPRGUGJFNB-UHFFFAOYSA-N 0 0 393.827 4.020 20 5 GIBDRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000057014504 823239879 /nfs/dbraw/zinc/23/98/79/823239879.db2.gz BDJWBFFQXKSKGZ-GFCCVEGCSA-N 0 0 392.408 4.252 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000409522625 823240360 /nfs/dbraw/zinc/24/03/60/823240360.db2.gz QGDNINZYQGPTPT-IFXJQAMLSA-N 0 0 384.480 4.013 20 5 GIBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655954 823241495 /nfs/dbraw/zinc/24/14/95/823241495.db2.gz GVPYVCDGYOASOW-OAHLLOKOSA-N 0 0 392.805 4.429 20 5 GIBDRN CC[C@H]1Oc2cc([C@H](C)Nc3c(F)cc([N+](=O)[O-])cc3F)ccc2NC1=O ZINC000121746540 823242041 /nfs/dbraw/zinc/24/20/41/823242041.db2.gz NMYPGTRLSLXGBF-BJOHPYRUSA-N 0 0 377.347 4.156 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000176595680 823244205 /nfs/dbraw/zinc/24/42/05/823244205.db2.gz LUKZQJXBBSWRCP-QGZVFWFLSA-N 0 0 388.851 4.112 20 5 GIBDRN O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459664824 823245282 /nfs/dbraw/zinc/24/52/82/823245282.db2.gz QGRXLCXPNFIDFI-OAHLLOKOSA-N 0 0 394.340 4.054 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(Cl)cc2C(=O)N1CC ZINC000409574710 823252364 /nfs/dbraw/zinc/25/23/64/823252364.db2.gz IZFVMFVLJXOMNU-QGZVFWFLSA-N 0 0 375.812 4.233 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(-c3nccs3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121804500 823254701 /nfs/dbraw/zinc/25/47/01/823254701.db2.gz HYEMRJXMFRDTRK-UHFFFAOYSA-N 0 0 398.400 4.496 20 5 GIBDRN CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000057148545 823255129 /nfs/dbraw/zinc/25/51/29/823255129.db2.gz UWNNSPMYSYBJLN-LJQANCHMSA-N 0 0 396.468 4.493 20 5 GIBDRN CC(C)c1ccc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1[N+](=O)[O-] ZINC000459721631 823256379 /nfs/dbraw/zinc/25/63/79/823256379.db2.gz ZCTRZESZIXLSBB-FUHWJXTLSA-N 0 0 376.478 4.143 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000000835956 817373357 /nfs/dbraw/zinc/37/33/57/817373357.db2.gz AMRUQHURHRLWDN-UHFFFAOYSA-N 0 0 395.371 4.091 20 5 GIBDRN COc1ccccc1-c1csc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000001284678 817375919 /nfs/dbraw/zinc/37/59/19/817375919.db2.gz SRHKXXVSVSCIBH-UHFFFAOYSA-N 0 0 399.428 4.053 20 5 GIBDRN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000002453319 817389836 /nfs/dbraw/zinc/38/98/36/817389836.db2.gz UPTMMOFLVZVBSU-UHFFFAOYSA-N 0 0 388.836 4.019 20 5 GIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n2)cc1 ZINC000121842901 823261479 /nfs/dbraw/zinc/26/14/79/823261479.db2.gz UFKBGTTVVHJVNY-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN C[C@H](OC(=O)c1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003385647 817445863 /nfs/dbraw/zinc/44/58/63/817445863.db2.gz WRPAQCPXRXCBEF-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000003424668 817453580 /nfs/dbraw/zinc/45/35/80/817453580.db2.gz DOLLEQGQQUBBFT-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000003424665 817453586 /nfs/dbraw/zinc/45/35/86/817453586.db2.gz DOLLEQGQQUBBFT-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000571980874 823264913 /nfs/dbraw/zinc/26/49/13/823264913.db2.gz ABAIKKGMTQDRDG-GXTWGEPZSA-N 0 0 388.807 4.043 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003485171 817466654 /nfs/dbraw/zinc/46/66/54/817466654.db2.gz NMOPJFVAAURQRI-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCCC(c1ccccc1)c1ccccc1 ZINC000003515132 817475454 /nfs/dbraw/zinc/47/54/54/817475454.db2.gz QWJYEHDKBYSTSD-UHFFFAOYSA-N 0 0 390.439 4.312 20 5 GIBDRN O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003569824 817487376 /nfs/dbraw/zinc/48/73/76/817487376.db2.gz FEYQUEMMQCCNAK-LZCJLJQNSA-N 0 0 383.148 4.287 20 5 GIBDRN CCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc1OC ZINC000003577987 817488272 /nfs/dbraw/zinc/48/82/72/817488272.db2.gz JFPVAWNMHKPTKE-WJDWOHSUSA-N 0 0 396.399 4.045 20 5 GIBDRN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000057226409 823267154 /nfs/dbraw/zinc/26/71/54/823267154.db2.gz NHLDIZKEYXUNQM-AWEZNQCLSA-N 0 0 388.851 4.174 20 5 GIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176687981 823268337 /nfs/dbraw/zinc/26/83/37/823268337.db2.gz SETQWZRKFFZCAW-GFCCVEGCSA-N 0 0 390.399 4.114 20 5 GIBDRN COc1ccc(-c2nc(COC(=O)c3cccc(C)c3[N+](=O)[O-])cs2)cc1 ZINC000004580345 817532205 /nfs/dbraw/zinc/53/22/05/817532205.db2.gz NKXPSTGQEAMWTI-UHFFFAOYSA-N 0 0 384.413 4.392 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 ZINC000005044218 817548129 /nfs/dbraw/zinc/54/81/29/817548129.db2.gz SWYJRLLWNKYOQQ-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000005043768 817548227 /nfs/dbraw/zinc/54/82/27/817548227.db2.gz JBAFFEWMCRKKAV-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005112636 817552145 /nfs/dbraw/zinc/55/21/45/817552145.db2.gz RZIPKJDPNZURGF-UHFFFAOYSA-N 0 0 377.824 4.191 20 5 GIBDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000572037492 823272343 /nfs/dbraw/zinc/27/23/43/823272343.db2.gz JUODDAZLZWNOPZ-PIGZYNQJSA-N 0 0 378.375 4.317 20 5 GIBDRN Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176705287 823272916 /nfs/dbraw/zinc/27/29/16/823272916.db2.gz JZJKEVVFWGNAFK-UHFFFAOYSA-N 0 0 376.347 4.391 20 5 GIBDRN C[C@H](OC(=O)CCSc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005468304 817586817 /nfs/dbraw/zinc/58/68/17/817586817.db2.gz NZJVKFRPULNRJJ-ZDUSSCGKSA-N 0 0 399.428 4.431 20 5 GIBDRN CC[C@H](NC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176708043 823273711 /nfs/dbraw/zinc/27/37/11/823273711.db2.gz UZIHRVBAYUHYOS-IBGZPJMESA-N 0 0 398.463 4.350 20 5 GIBDRN COc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000057274581 823274400 /nfs/dbraw/zinc/27/44/00/823274400.db2.gz CMVYNJWKRRJQPB-JOCHJYFZSA-N 0 0 394.402 4.191 20 5 GIBDRN CNc1ccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1[N+](=O)[O-] ZINC000057308900 823278006 /nfs/dbraw/zinc/27/80/06/823278006.db2.gz XVIJHDQRJWFCHH-UHFFFAOYSA-N 0 0 378.388 4.385 20 5 GIBDRN C[C@@H]1CCN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c2ccccc2S1 ZINC000005994217 817637996 /nfs/dbraw/zinc/63/79/96/817637996.db2.gz GNBVZHIZKPRUBZ-GFCCVEGCSA-N 0 0 376.409 4.030 20 5 GIBDRN C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000057282391 823275515 /nfs/dbraw/zinc/27/55/15/823275515.db2.gz JLEOUSZTBXEJLZ-ZDUSSCGKSA-N 0 0 395.440 4.400 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000176715258 823275542 /nfs/dbraw/zinc/27/55/42/823275542.db2.gz OIJJDMZNBWLWTI-YOEHRIQHSA-N 0 0 397.431 4.240 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000006012864 817640583 /nfs/dbraw/zinc/64/05/83/817640583.db2.gz GRMGOLOJYDUBTB-RMKNXTFCSA-N 0 0 395.198 4.097 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1[N+](=O)[O-] ZINC000176719793 823276464 /nfs/dbraw/zinc/27/64/64/823276464.db2.gz PEUYITJAESFOQR-HNNXBMFYSA-N 0 0 383.448 4.292 20 5 GIBDRN CCOc1cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000409662501 823276972 /nfs/dbraw/zinc/27/69/72/823276972.db2.gz ZVTKXOKWRPGXFA-GJZGRUSLSA-N 0 0 385.420 4.070 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000006290837 817673340 /nfs/dbraw/zinc/67/33/40/817673340.db2.gz WCGJXMZJNYNEAZ-HNNXBMFYSA-N 0 0 386.448 4.058 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000006314744 817675529 /nfs/dbraw/zinc/67/55/29/817675529.db2.gz LMJCBEHNQKIXFQ-UHFFFAOYSA-N 0 0 381.715 4.035 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000176734631 823280806 /nfs/dbraw/zinc/28/08/06/823280806.db2.gz ICCUHWYRVJWHPD-OAHLLOKOSA-N 0 0 379.420 4.031 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000006431505 817690603 /nfs/dbraw/zinc/69/06/03/817690603.db2.gz UHDNPXYMUNVZOM-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006506393 817698697 /nfs/dbraw/zinc/69/86/97/817698697.db2.gz SDKARFAKYXOISB-SECBINFHSA-N 0 0 376.825 4.244 20 5 GIBDRN CC(C)(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000006515776 817699284 /nfs/dbraw/zinc/69/92/84/817699284.db2.gz VVQXNOWWLVOUKN-JLHYYAGUSA-N 0 0 382.416 4.087 20 5 GIBDRN Cc1cc2oc(=O)cc(COC(=O)CSc3ccccc3[N+](=O)[O-])c2cc1C ZINC000006539479 817702367 /nfs/dbraw/zinc/70/23/67/817702367.db2.gz YHNOQCMDZVUCBB-UHFFFAOYSA-N 0 0 399.424 4.154 20 5 GIBDRN CSc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000006610377 817709788 /nfs/dbraw/zinc/70/97/88/817709788.db2.gz NFPAZZKWYSXXDS-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006787816 817717554 /nfs/dbraw/zinc/71/75/54/817717554.db2.gz WVESPTCVWAQPJM-UHFFFAOYSA-N 0 0 389.839 4.418 20 5 GIBDRN COc1ccc(N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000460081352 823283729 /nfs/dbraw/zinc/28/37/29/823283729.db2.gz XRBXKKCGSAECBY-GFCCVEGCSA-N 0 0 388.395 4.196 20 5 GIBDRN Cc1cc(F)cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1[N+](=O)[O-] ZINC000176752775 823284284 /nfs/dbraw/zinc/28/42/84/823284284.db2.gz XHHDNYPYAKZGEL-UHFFFAOYSA-N 0 0 399.353 4.299 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007053285 817748012 /nfs/dbraw/zinc/74/80/12/817748012.db2.gz QQXKDNLHMMRMSR-UHFFFAOYSA-N 0 0 394.758 4.376 20 5 GIBDRN Cc1cc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000176757165 823285159 /nfs/dbraw/zinc/28/51/59/823285159.db2.gz URLQHPUKXNFIHK-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN CC(C)Oc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007087775 817756531 /nfs/dbraw/zinc/75/65/31/817756531.db2.gz VRTOVCIVTIAAOP-CYBMUJFWSA-N 0 0 397.387 4.350 20 5 GIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(CNc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000176762378 823286451 /nfs/dbraw/zinc/28/64/51/823286451.db2.gz GXPHEEYSCHACSL-UHFFFAOYSA-N 0 0 379.420 4.135 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007108941 817762163 /nfs/dbraw/zinc/76/21/63/817762163.db2.gz YIERMAQBRWXKCR-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)c1cccc([N+](=O)[O-])c1 ZINC000007125781 817767517 /nfs/dbraw/zinc/76/75/17/817767517.db2.gz UIOYJQOUCZGCFM-JTQLQIEISA-N 0 0 375.841 4.074 20 5 GIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)c1cc(F)ccc1F ZINC000007169005 817778988 /nfs/dbraw/zinc/77/89/88/817778988.db2.gz WLMCZUAUHKMDBI-UHFFFAOYSA-N 0 0 396.418 4.340 20 5 GIBDRN Cc1cc(F)cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1[N+](=O)[O-] ZINC000176781846 823291443 /nfs/dbraw/zinc/29/14/43/823291443.db2.gz BYGJBQNHKJPAON-UHFFFAOYSA-N 0 0 399.422 4.101 20 5 GIBDRN COC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000188707597 823289782 /nfs/dbraw/zinc/28/97/82/823289782.db2.gz PHOXVDRGVSNGST-UHFFFAOYSA-N 0 0 399.428 4.126 20 5 GIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Br)cc2C)c1C ZINC000007323975 817817913 /nfs/dbraw/zinc/81/79/13/817817913.db2.gz BPXXZDADARGFHI-UHFFFAOYSA-N 0 0 399.266 4.083 20 5 GIBDRN O=C(Cn1c2ccccc2nc1SC(F)F)OCc1ccc([N+](=O)[O-])cc1 ZINC000007320119 817818140 /nfs/dbraw/zinc/81/81/40/817818140.db2.gz HIOIQZYFPCUOEN-UHFFFAOYSA-N 0 0 393.371 4.003 20 5 GIBDRN Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2N2CCCCC2)cc1 ZINC000007366419 817825266 /nfs/dbraw/zinc/82/52/66/817825266.db2.gz LNBPVHADEPOCQP-UHFFFAOYSA-N 0 0 396.476 4.020 20 5 GIBDRN COc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1OCc1cccnc1 ZINC000122006386 823292147 /nfs/dbraw/zinc/29/21/47/823292147.db2.gz IHAGZEBXLOJSBH-UHFFFAOYSA-N 0 0 393.399 4.138 20 5 GIBDRN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000409730313 823292859 /nfs/dbraw/zinc/29/28/59/823292859.db2.gz WINUPEWDWMPRPF-UHFFFAOYSA-N 0 0 388.383 4.074 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000007532376 817863031 /nfs/dbraw/zinc/86/30/31/817863031.db2.gz RHGRMDQZISBXJZ-AWEZNQCLSA-N 0 0 378.384 4.240 20 5 GIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)N1CCCCCC1 ZINC000007577765 817873424 /nfs/dbraw/zinc/87/34/24/817873424.db2.gz NRZUXIIGTWHIEA-UHFFFAOYSA-N 0 0 395.528 4.064 20 5 GIBDRN Cc1cc(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000007622653 817881684 /nfs/dbraw/zinc/88/16/84/817881684.db2.gz ZIWSTCPJWQMVTE-UHFFFAOYSA-N 0 0 390.395 4.417 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC000007687124 817895506 /nfs/dbraw/zinc/89/55/06/817895506.db2.gz DGCTWAADMCNLGI-CQSZACIVSA-N 0 0 398.893 4.072 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000007687036 817895586 /nfs/dbraw/zinc/89/55/86/817895586.db2.gz YSLRZTAVEOWGLO-UHFFFAOYSA-N 0 0 389.260 4.031 20 5 GIBDRN CCCOc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 ZINC000007700592 817897487 /nfs/dbraw/zinc/89/74/87/817897487.db2.gz KIRHLKZUMSVMAN-NTCAYCPXSA-N 0 0 377.400 4.038 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1I ZINC000007758859 817909476 /nfs/dbraw/zinc/90/94/76/817909476.db2.gz QQXDFLKNXMTPRC-UHFFFAOYSA-N 0 0 396.184 4.069 20 5 GIBDRN C[C@H](OC(=O)CCc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007805984 817921241 /nfs/dbraw/zinc/92/12/41/817921241.db2.gz DPTZNDSXTBVLGB-LBPRGKRZSA-N 0 0 385.351 4.021 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3Br)CC2)c1 ZINC000460166202 823303390 /nfs/dbraw/zinc/30/33/90/823303390.db2.gz FXMPXOMLYCFBDE-UHFFFAOYSA-N 0 0 389.249 4.127 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)OCc3ccccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000007935904 817964645 /nfs/dbraw/zinc/96/46/45/817964645.db2.gz MKBBKBXPIMGRRV-UHFFFAOYSA-N 0 0 379.416 4.122 20 5 GIBDRN CSc1cccc(F)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000409752100 823299141 /nfs/dbraw/zinc/29/91/41/823299141.db2.gz RJJKDRZKBITBGL-UHFFFAOYSA-N 0 0 390.436 4.139 20 5 GIBDRN Cc1ccccc1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007965949 817969703 /nfs/dbraw/zinc/96/97/03/817969703.db2.gz LGWNLKALSCPXQJ-UHFFFAOYSA-N 0 0 381.354 4.040 20 5 GIBDRN COc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 ZINC000007978612 817974034 /nfs/dbraw/zinc/97/40/34/817974034.db2.gz XIQWPZLGOPHYOQ-UHFFFAOYSA-N 0 0 392.415 4.398 20 5 GIBDRN C[C@@H](c1nc(C2(c3ccccc3)CCOCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000572205045 823299755 /nfs/dbraw/zinc/29/97/55/823299755.db2.gz UKMBSACWXYKZJM-CQSZACIVSA-N 0 0 397.406 4.365 20 5 GIBDRN CC(=O)c1ccc(Sc2nnc3cc(C)c4ccccc4n32)c([N+](=O)[O-])c1 ZINC000007982236 817975037 /nfs/dbraw/zinc/97/50/37/817975037.db2.gz WAYZBLRHJRJPHY-UHFFFAOYSA-N 0 0 378.413 4.453 20 5 GIBDRN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000007980895 817975197 /nfs/dbraw/zinc/97/51/97/817975197.db2.gz FIHWAOXUTUFEFM-UHFFFAOYSA-N 0 0 396.490 4.140 20 5 GIBDRN CC(=O)c1ccc(Oc2cccc(I)c2)c([N+](=O)[O-])c1 ZINC000007983610 817975756 /nfs/dbraw/zinc/97/57/56/817975756.db2.gz SOMLLNZLVXWUAU-UHFFFAOYSA-N 0 0 383.141 4.194 20 5 GIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ccccc1F ZINC000008063187 817991957 /nfs/dbraw/zinc/99/19/57/817991957.db2.gz ANLXCPXNTCVXKB-UHFFFAOYSA-N 0 0 396.465 4.060 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000008122562 818004039 /nfs/dbraw/zinc/00/40/39/818004039.db2.gz QJOZTXBPNQGOML-UHFFFAOYSA-N 0 0 384.310 4.273 20 5 GIBDRN O=C(CSc1ccc2ccccc2c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000008145730 818006822 /nfs/dbraw/zinc/00/68/22/818006822.db2.gz HIJAUHADHNFXOP-UHFFFAOYSA-N 0 0 381.457 4.068 20 5 GIBDRN CNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000008180834 818014254 /nfs/dbraw/zinc/01/42/54/818014254.db2.gz FTCUQLALWLMHKZ-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000008234013 818021120 /nfs/dbraw/zinc/02/11/20/818021120.db2.gz WEZGTUHDWUEYRT-LBPRGKRZSA-N 0 0 376.434 4.272 20 5 GIBDRN CNc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000010958635 818033884 /nfs/dbraw/zinc/03/38/84/818033884.db2.gz VRHPSEJJJMICPV-KRWDZBQOSA-N 0 0 381.436 4.030 20 5 GIBDRN CCOc1cc(NC(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OCC ZINC000010962374 818034959 /nfs/dbraw/zinc/03/49/59/818034959.db2.gz YTHFKWDXMDJMND-UHFFFAOYSA-N 0 0 396.346 4.246 20 5 GIBDRN COc1cc(COC(=O)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000010974209 818037133 /nfs/dbraw/zinc/03/71/33/818037133.db2.gz VXTAQEFDBVZPAJ-UHFFFAOYSA-N 0 0 399.371 4.284 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)sn1 ZINC000176842259 823307011 /nfs/dbraw/zinc/30/70/11/823307011.db2.gz VPMDUNPDYQHVCL-LBPRGKRZSA-N 0 0 383.433 4.180 20 5 GIBDRN C[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011026571 818045044 /nfs/dbraw/zinc/04/50/44/818045044.db2.gz PAFRUYGKJQAKCJ-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN O=[N+]([O-])c1cc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1F ZINC000011160750 818058029 /nfs/dbraw/zinc/05/80/29/818058029.db2.gz QJTWBORGFDMCFI-UHFFFAOYSA-N 0 0 382.273 4.415 20 5 GIBDRN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n(CC(C)C)c1C ZINC000011304396 818069804 /nfs/dbraw/zinc/06/98/04/818069804.db2.gz MJJLEIXWUFFGMN-UHFFFAOYSA-N 0 0 377.466 4.223 20 5 GIBDRN COc1cc(COC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000011322343 818071844 /nfs/dbraw/zinc/07/18/44/818071844.db2.gz BYMIPHFBDKWDQY-UHFFFAOYSA-N 0 0 399.371 4.112 20 5 GIBDRN CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011364270 818075082 /nfs/dbraw/zinc/07/50/82/818075082.db2.gz LHNPYAZTTAXBRH-HNNXBMFYSA-N 0 0 399.447 4.091 20 5 GIBDRN CCCn1c2ccccc2nc1SCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000011487646 818087450 /nfs/dbraw/zinc/08/74/50/818087450.db2.gz NUHXUWICRLQCRQ-UHFFFAOYSA-N 0 0 385.445 4.190 20 5 GIBDRN COc1ccccc1Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000011515769 818091458 /nfs/dbraw/zinc/09/14/58/818091458.db2.gz YURXPUWBZZRCET-UHFFFAOYSA-N 0 0 394.383 4.413 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000409805336 823312042 /nfs/dbraw/zinc/31/20/42/823312042.db2.gz PUTUZXKKGASJDK-HXUWFJFHSA-N 0 0 398.365 4.310 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OCC ZINC000011654133 818105198 /nfs/dbraw/zinc/10/51/98/818105198.db2.gz GKFOUQTWYSDAMQ-UHFFFAOYSA-N 0 0 376.434 4.366 20 5 GIBDRN COc1ccccc1-c1nc(COC(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000011658996 818105702 /nfs/dbraw/zinc/10/57/02/818105702.db2.gz DCXSEHUUAUDMRC-UHFFFAOYSA-N 0 0 384.413 4.392 20 5 GIBDRN CC(C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000011717576 818112768 /nfs/dbraw/zinc/11/27/68/818112768.db2.gz LSWMCXFRDNAAMS-SFHVURJKSA-N 0 0 395.463 4.177 20 5 GIBDRN COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cc1ccccc1 ZINC000012041251 818138476 /nfs/dbraw/zinc/13/84/76/818138476.db2.gz DVUZIYRRPOSPRO-UHFFFAOYSA-N 0 0 392.411 4.212 20 5 GIBDRN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccc(F)c(F)c1 ZINC000122196218 823320273 /nfs/dbraw/zinc/32/02/73/823320273.db2.gz IBQXLWGZQLHQOL-UHFFFAOYSA-N 0 0 379.319 4.065 20 5 GIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000012132548 818143732 /nfs/dbraw/zinc/14/37/32/818143732.db2.gz GAIXEUDGNJMIPQ-UHFFFAOYSA-N 0 0 395.488 4.064 20 5 GIBDRN Cc1cnc(C(C)(C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000176876959 823315564 /nfs/dbraw/zinc/31/55/64/823315564.db2.gz FYUHUHJCCRRASF-UHFFFAOYSA-N 0 0 388.474 4.148 20 5 GIBDRN O=C(OCc1csc(-c2ccccn2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012261194 818151227 /nfs/dbraw/zinc/15/12/27/818151227.db2.gz LVBYMIAIXLADGY-UHFFFAOYSA-N 0 0 375.793 4.124 20 5 GIBDRN COc1cc(COC(=O)/C=C/c2cccc(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000012451024 818160831 /nfs/dbraw/zinc/16/08/31/818160831.db2.gz AGVPBNCBXRGUJW-AATRIKPKSA-N 0 0 397.305 4.101 20 5 GIBDRN COc1cc(OCC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000409822005 823316693 /nfs/dbraw/zinc/31/66/93/823316693.db2.gz UFWRCSPHZOWPLQ-SNVBAGLBSA-N 0 0 399.230 4.166 20 5 GIBDRN Cc1c(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122173476 823316869 /nfs/dbraw/zinc/31/68/69/823316869.db2.gz WBVNAFVQXZJOQK-NSHDSACASA-N 0 0 393.346 4.231 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000012737982 818179356 /nfs/dbraw/zinc/17/93/56/818179356.db2.gz BMKCWETVSDTIDQ-UHFFFAOYSA-N 0 0 379.825 4.181 20 5 GIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122182723 823317956 /nfs/dbraw/zinc/31/79/56/823317956.db2.gz GXWIPNOKWYNNDC-ZDUSSCGKSA-N 0 0 392.814 4.319 20 5 GIBDRN O=C(COC(=O)CCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012950613 818196510 /nfs/dbraw/zinc/19/65/10/818196510.db2.gz GXZORIDNDZOQOY-UHFFFAOYSA-N 0 0 397.214 4.016 20 5 GIBDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000572317969 823319066 /nfs/dbraw/zinc/31/90/66/823319066.db2.gz RTBWHZNIKACHOD-CYBMUJFWSA-N 0 0 392.411 4.372 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)c2ccccc2)cc1OC ZINC000057660229 823319367 /nfs/dbraw/zinc/31/93/67/823319367.db2.gz XUYBSFFQSGJVKW-UHFFFAOYSA-N 0 0 396.399 4.442 20 5 GIBDRN O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000013231496 818207356 /nfs/dbraw/zinc/20/73/56/818207356.db2.gz QTJJRWBYGDCZJS-UHFFFAOYSA-N 0 0 381.392 4.155 20 5 GIBDRN COC(=O)c1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000013791125 818215388 /nfs/dbraw/zinc/21/53/88/818215388.db2.gz ZIWSPQLSWHKGPG-UHFFFAOYSA-N 0 0 391.474 4.131 20 5 GIBDRN Cc1csc([C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2CC2)n1 ZINC000122205656 823321513 /nfs/dbraw/zinc/32/15/13/823321513.db2.gz CUYMDWZWXXTJNL-CYBMUJFWSA-N 0 0 396.266 4.003 20 5 GIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(=O)[nH]c2ccccc21 ZINC000014376756 818240104 /nfs/dbraw/zinc/24/01/04/818240104.db2.gz CNOYNZBSQHXBLT-UHFFFAOYSA-N 0 0 392.396 4.224 20 5 GIBDRN COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000014462811 818245588 /nfs/dbraw/zinc/24/55/88/818245588.db2.gz AFOLBBYWWALGOM-UHFFFAOYSA-N 0 0 389.839 4.499 20 5 GIBDRN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000014575876 818252164 /nfs/dbraw/zinc/25/21/64/818252164.db2.gz DNTXYZMVLSKGNA-SECBINFHSA-N 0 0 387.194 4.297 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCC ZINC000014724843 818262016 /nfs/dbraw/zinc/26/20/16/818262016.db2.gz QDWWRPYOEQAHEK-UHFFFAOYSA-N 0 0 399.447 4.245 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(c2ccccc2)CCC1 ZINC000014900179 818275356 /nfs/dbraw/zinc/27/53/56/818275356.db2.gz SBWBKMRVTUYECZ-UHFFFAOYSA-N 0 0 396.490 4.393 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000014910372 818276460 /nfs/dbraw/zinc/27/64/60/818276460.db2.gz VZRGYCYYVDGSLY-UHFFFAOYSA-N 0 0 396.472 4.402 20 5 GIBDRN COc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000015082264 818288339 /nfs/dbraw/zinc/28/83/39/818288339.db2.gz BILYCPAIDNMEFZ-UHFFFAOYSA-N 0 0 383.448 4.400 20 5 GIBDRN CCC(CC)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015084101 818288991 /nfs/dbraw/zinc/28/89/91/818288991.db2.gz WRXLEMXNFBHVEY-UHFFFAOYSA-N 0 0 387.402 4.135 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000460233071 823325587 /nfs/dbraw/zinc/32/55/87/823325587.db2.gz UXGHBHKBMDAFOJ-YJBOKZPZSA-N 0 0 377.448 4.256 20 5 GIBDRN Cc1ccccc1OCCN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015099662 818290382 /nfs/dbraw/zinc/29/03/82/818290382.db2.gz VMWYTLKKBGFCJP-HNNXBMFYSA-N 0 0 382.420 4.025 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015124155 818292242 /nfs/dbraw/zinc/29/22/42/818292242.db2.gz OOACEHHYBOJJHF-UHFFFAOYSA-N 0 0 384.219 4.269 20 5 GIBDRN COc1cc(C=O)ccc1Oc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015174735 818297160 /nfs/dbraw/zinc/29/71/60/818297160.db2.gz SVZJLTMUWKFELI-UHFFFAOYSA-N 0 0 377.352 4.439 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000015199435 818299813 /nfs/dbraw/zinc/29/98/13/818299813.db2.gz NUKAQTCLHUVPHH-HNNXBMFYSA-N 0 0 378.450 4.179 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(COCc3ccco3)c2)cc([N+](=O)[O-])c1C ZINC000188945633 823331741 /nfs/dbraw/zinc/33/17/41/823331741.db2.gz LAEZWALIHADPIT-UHFFFAOYSA-N 0 0 396.399 4.474 20 5 GIBDRN Cc1c(NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000015319879 818312403 /nfs/dbraw/zinc/31/24/03/818312403.db2.gz BOFOINPPCWZZRD-UHFFFAOYSA-N 0 0 385.754 4.209 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(Br)c1 ZINC000015315893 818312435 /nfs/dbraw/zinc/31/24/35/818312435.db2.gz PMSYKYIBEKWBLG-UHFFFAOYSA-N 0 0 390.237 4.492 20 5 GIBDRN CC(C)CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015372937 818319585 /nfs/dbraw/zinc/31/95/85/818319585.db2.gz WULKBHDYXPWTCG-UHFFFAOYSA-N 0 0 389.839 4.276 20 5 GIBDRN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015396312 818321041 /nfs/dbraw/zinc/32/10/41/818321041.db2.gz SHYMACOQNKYPGH-VIFPVBQESA-N 0 0 392.770 4.095 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015547119 818336377 /nfs/dbraw/zinc/33/63/77/818336377.db2.gz HXGNBTFWNMBFBT-OAHLLOKOSA-N 0 0 379.869 4.258 20 5 GIBDRN C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000015635162 818351205 /nfs/dbraw/zinc/35/12/05/818351205.db2.gz ROMWQOLRFZMWPP-SNVBAGLBSA-N 0 0 375.377 4.122 20 5 GIBDRN COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000015963021 818380074 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GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176956717 823334052 /nfs/dbraw/zinc/33/40/52/823334052.db2.gz HWWPQPAHFHVYMJ-DOMZBBRYSA-N 0 0 395.868 4.430 20 5 GIBDRN COCCCOc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000176957753 823334229 /nfs/dbraw/zinc/33/42/29/823334229.db2.gz MLMIYKWCWCVGTO-UHFFFAOYSA-N 0 0 379.800 4.308 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000016195843 818404710 /nfs/dbraw/zinc/40/47/10/818404710.db2.gz IPSUPWKAWUEUFX-UHFFFAOYSA-N 0 0 394.836 4.074 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1OC ZINC000016276511 818415200 /nfs/dbraw/zinc/41/52/00/818415200.db2.gz JCSZDEFQWUMHDT-UHFFFAOYSA-N 0 0 396.443 4.240 20 5 GIBDRN Cc1cc(CSc2ncccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000057809503 823335196 /nfs/dbraw/zinc/33/51/96/823335196.db2.gz ULMMKXAVUSBTLH-UHFFFAOYSA-N 0 0 384.417 4.139 20 5 GIBDRN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016300791 818418370 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20 5 GIBDRN C[C@@H]1CC(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000188975105 823336946 /nfs/dbraw/zinc/33/69/46/823336946.db2.gz RGSIIPLIHLEHJB-HUUCEWRRSA-N 0 0 384.432 4.316 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@H]1CC1CCCCC1 ZINC000057823021 823337943 /nfs/dbraw/zinc/33/79/43/823337943.db2.gz LVWLFZGVKXLPGX-IBGZPJMESA-N 0 0 396.491 4.211 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000016636233 818461819 /nfs/dbraw/zinc/46/18/19/818461819.db2.gz RKFXVWSGLQKBTN-UHFFFAOYSA-N 0 0 398.202 4.091 20 5 GIBDRN CC(C)(COCc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409897169 823338721 /nfs/dbraw/zinc/33/87/21/823338721.db2.gz SODOBHHYFYBSCR-UHFFFAOYSA-N 0 0 396.365 4.339 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000176973949 823339563 /nfs/dbraw/zinc/33/95/63/823339563.db2.gz AIQQBRANRLSFMT-UHFFFAOYSA-N 0 0 393.447 4.454 20 5 GIBDRN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835478 823339654 /nfs/dbraw/zinc/33/96/54/823339654.db2.gz UUGMDGLTFLHRAL-UHFFFAOYSA-N 0 0 382.347 4.109 20 5 GIBDRN COc1ccc2cc(CN(C)Cn3ncc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000016874918 818485908 /nfs/dbraw/zinc/48/59/08/818485908.db2.gz RACOWKYUUSYAHQ-UHFFFAOYSA-N 0 0 376.416 4.196 20 5 GIBDRN O=C(NC1CC1)c1cc(SCc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000017274289 818504126 /nfs/dbraw/zinc/50/41/26/818504126.db2.gz MNYLRVMXWKFZPT-UHFFFAOYSA-N 0 0 379.441 4.328 20 5 GIBDRN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccs2)o1 ZINC000017654066 818522552 /nfs/dbraw/zinc/52/25/52/818522552.db2.gz UZQJZGHZIFJXFU-SNVBAGLBSA-N 0 0 391.430 4.103 20 5 GIBDRN COC(C)(C)C[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000460293109 823342457 /nfs/dbraw/zinc/34/24/57/823342457.db2.gz XRBIVDHJOHTCPQ-XHSDSOJGSA-N 0 0 391.512 4.011 20 5 GIBDRN CCCOc1cc(NC(=O)c2ccccc2OC)c([N+](=O)[O-])cc1OCCC ZINC000017741851 818526234 /nfs/dbraw/zinc/52/62/34/818526234.db2.gz AIGRDSUISRMHMR-UHFFFAOYSA-N 0 0 388.420 4.433 20 5 GIBDRN CSc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000018022223 818539592 /nfs/dbraw/zinc/53/95/92/818539592.db2.gz LVZFWJKVWAPFEK-UHFFFAOYSA-N 0 0 380.466 4.368 20 5 GIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000018204498 818556134 /nfs/dbraw/zinc/55/61/34/818556134.db2.gz RRTFEVRYXYFNET-LLVKDONJSA-N 0 0 386.429 4.318 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000018238332 818560946 /nfs/dbraw/zinc/56/09/46/818560946.db2.gz RWAJTIFCVCJGKD-LBPRGKRZSA-N 0 0 388.445 4.048 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC000460302560 823346048 /nfs/dbraw/zinc/34/60/48/823346048.db2.gz DPPWJHGEBUKDKK-LJQANCHMSA-N 0 0 377.448 4.085 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC000460305824 823347157 /nfs/dbraw/zinc/34/71/57/823347157.db2.gz MPUQSOKGZFOTEU-LJQANCHMSA-N 0 0 393.447 4.223 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000019198816 818587515 /nfs/dbraw/zinc/58/75/15/818587515.db2.gz FARVCVUDTLFQCA-UHFFFAOYSA-N 0 0 399.447 4.245 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2c(F)cccc2Cl)cc1OC ZINC000019358298 818591786 /nfs/dbraw/zinc/59/17/86/818591786.db2.gz YXWCYCBCRCGVIN-UHFFFAOYSA-N 0 0 396.802 4.067 20 5 GIBDRN COc1ccc(OC)c(CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)c1 ZINC000122424982 823352051 /nfs/dbraw/zinc/35/20/51/823352051.db2.gz OCVUXTGPYLNNSA-UHFFFAOYSA-N 0 0 385.420 4.117 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000572515429 823352065 /nfs/dbraw/zinc/35/20/65/823352065.db2.gz CIDYJFUHMXSONF-HNAYVOBHSA-N 0 0 390.867 4.057 20 5 GIBDRN CCCCn1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1C ZINC000122424291 823352214 /nfs/dbraw/zinc/35/22/14/823352214.db2.gz YSXORGVWHVDQIG-UHFFFAOYSA-N 0 0 399.495 4.388 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc([N+](=O)[O-])c1 ZINC000122427196 823352580 /nfs/dbraw/zinc/35/25/80/823352580.db2.gz LQIBQNDAMQNDHR-UHFFFAOYSA-N 0 0 394.387 4.070 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000057978342 823352788 /nfs/dbraw/zinc/35/27/88/823352788.db2.gz FYJXZZLKSVQVGX-LBPRGKRZSA-N 0 0 384.388 4.239 20 5 GIBDRN CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nc1C ZINC000020629981 818628433 /nfs/dbraw/zinc/62/84/33/818628433.db2.gz JLILIKHHUXYAAW-UHFFFAOYSA-N 0 0 391.449 4.086 20 5 GIBDRN Cc1c(NC(=O)[C@H]2CCCC(F)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000409958265 823354051 /nfs/dbraw/zinc/35/40/51/823354051.db2.gz HIFDGQRNBCBLHE-VIFPVBQESA-N 0 0 377.185 4.430 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000021110693 818654400 /nfs/dbraw/zinc/65/44/00/818654400.db2.gz KESGJRGKRQGCOB-UHFFFAOYSA-N 0 0 385.807 4.158 20 5 GIBDRN C[C@H](OC(=O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021242506 818668700 /nfs/dbraw/zinc/66/87/00/818668700.db2.gz KBRVNSSIONPWMU-NSHDSACASA-N 0 0 380.194 4.041 20 5 GIBDRN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000409965996 823356752 /nfs/dbraw/zinc/35/67/52/823356752.db2.gz KHUCYOVMBBJXPN-XHDPSFHLSA-N 0 0 381.354 4.175 20 5 GIBDRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000021594588 818711280 /nfs/dbraw/zinc/71/12/80/818711280.db2.gz NKJOXJFRBBKETR-UHFFFAOYSA-N 0 0 382.445 4.128 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122459733 823357487 /nfs/dbraw/zinc/35/74/87/823357487.db2.gz KOKQASZKTMFYFN-QRWLVFNGSA-N 0 0 392.521 4.110 20 5 GIBDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000021649097 818719772 /nfs/dbraw/zinc/71/97/72/818719772.db2.gz NXNLLYWUDUOEPF-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000021663874 818721017 /nfs/dbraw/zinc/72/10/17/818721017.db2.gz BSSZVGFLTLERAL-CYBMUJFWSA-N 0 0 384.461 4.392 20 5 GIBDRN CC(C)(C(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000572547467 823358518 /nfs/dbraw/zinc/35/85/18/823358518.db2.gz NQIJAHNBDFODRU-UHFFFAOYSA-N 0 0 398.793 4.444 20 5 GIBDRN CC(C)(C)c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000021712941 818729260 /nfs/dbraw/zinc/72/92/60/818729260.db2.gz XACBZPVERFCQLR-UHFFFAOYSA-N 0 0 394.431 4.096 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000460346511 823359918 /nfs/dbraw/zinc/35/99/18/823359918.db2.gz JZQKNAAWHLBQSJ-LSDHHAIUSA-N 0 0 385.489 4.195 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000058086785 823360963 /nfs/dbraw/zinc/36/09/63/823360963.db2.gz LCYPOZYHGHYCPW-UHFFFAOYSA-N 0 0 384.436 4.150 20 5 GIBDRN CC(C)N(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000022197496 818782129 /nfs/dbraw/zinc/78/21/29/818782129.db2.gz FAVYHNMKDYEWID-UHFFFAOYSA-N 0 0 377.238 4.408 20 5 GIBDRN Cc1ccc(NCCCNC(=O)[C@@H]2CCSc3ccccc32)c([N+](=O)[O-])c1 ZINC000460365154 823364677 /nfs/dbraw/zinc/36/46/77/823364677.db2.gz VNYWJMTXZOKFIC-MRXNPFEDSA-N 0 0 385.489 4.101 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)cc1SC ZINC000122511883 823365156 /nfs/dbraw/zinc/36/51/56/823365156.db2.gz JBXJAUYRXNZGIS-HXPMCKFVSA-N 0 0 386.473 4.379 20 5 GIBDRN CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000022467211 818811119 /nfs/dbraw/zinc/81/11/19/818811119.db2.gz BXQOPSVENBYJNN-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)cc1SC ZINC000122511688 823365219 /nfs/dbraw/zinc/36/52/19/823365219.db2.gz JBXJAUYRXNZGIS-CWTRNNRKSA-N 0 0 386.473 4.379 20 5 GIBDRN Cc1ccc(CSCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460368212 823365727 /nfs/dbraw/zinc/36/57/27/823365727.db2.gz YBJGQYGTNWBMTI-IBGZPJMESA-N 0 0 388.514 4.411 20 5 GIBDRN CCCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC)N(C)C ZINC000058165699 823365958 /nfs/dbraw/zinc/36/59/58/823365958.db2.gz SLQUPFGXCNTFLW-MRXNPFEDSA-N 0 0 377.514 4.291 20 5 GIBDRN COc1ccccc1[C@H](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460368612 823365965 /nfs/dbraw/zinc/36/59/65/823365965.db2.gz ZANMYBZXJLLBHO-JLTOFOAXSA-N 0 0 386.473 4.371 20 5 GIBDRN CCCCn1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C ZINC000122522182 823366678 /nfs/dbraw/zinc/36/66/78/823366678.db2.gz LYIARJRUJBEOCV-UHFFFAOYSA-N 0 0 385.468 4.142 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000022673922 818841241 /nfs/dbraw/zinc/84/12/41/818841241.db2.gz CCOUXIKXBAQBBX-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(O)c1 ZINC000058191197 823368116 /nfs/dbraw/zinc/36/81/16/823368116.db2.gz NNXJLLSEPIFGSY-GASCZTMLSA-N 0 0 383.448 4.343 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000022736696 818853848 /nfs/dbraw/zinc/85/38/48/818853848.db2.gz MAZRZTJYPXRIAJ-KGLIPLIRSA-N 0 0 396.399 4.072 20 5 GIBDRN CCCc1noc2nc(CC)cc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)c12 ZINC000410021107 823373134 /nfs/dbraw/zinc/37/31/34/823373134.db2.gz LNGCOYZLSHMNHB-UHFFFAOYSA-N 0 0 394.431 4.239 20 5 GIBDRN Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NC(C)C ZINC000177089696 823368770 /nfs/dbraw/zinc/36/87/70/823368770.db2.gz INBCINCSASQQEG-UHFFFAOYSA-N 0 0 398.463 4.098 20 5 GIBDRN Cc1ccc(Cc2nnc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000572612217 823369239 /nfs/dbraw/zinc/36/92/39/823369239.db2.gz XBIUTFBQSDJJGB-UHFFFAOYSA-N 0 0 396.472 4.262 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022940841 818879070 /nfs/dbraw/zinc/87/90/70/818879070.db2.gz WXXLQPFSPLORKG-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1nc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])sc1Cc1ccc(F)cc1 ZINC000122548885 823370716 /nfs/dbraw/zinc/37/07/16/823370716.db2.gz BGGPPBRWAWYHDA-UHFFFAOYSA-N 0 0 389.383 4.481 20 5 GIBDRN COc1cc(C(=O)Nc2cnccc2-c2cccc(F)c2)cc([N+](=O)[O-])c1C ZINC000189180831 823371189 /nfs/dbraw/zinc/37/11/89/823371189.db2.gz GTYJSRASLGHNFU-UHFFFAOYSA-N 0 0 381.363 4.365 20 5 GIBDRN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCc2ccccc21 ZINC000023151558 818904545 /nfs/dbraw/zinc/90/45/45/818904545.db2.gz MDCMOYXGGJSWOI-FQEVSTJZSA-N 0 0 393.487 4.347 20 5 GIBDRN CCCCn1c(C)c(C)nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023362998 818928444 /nfs/dbraw/zinc/92/84/44/818928444.db2.gz VLRROEGCCBDDIW-UHFFFAOYSA-N 0 0 376.482 4.247 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023445120 818941631 /nfs/dbraw/zinc/94/16/31/818941631.db2.gz PMMCRQWJIGRGOF-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000023503498 818949219 /nfs/dbraw/zinc/94/92/19/818949219.db2.gz RXZFTAKWNXUBRK-KRWDZBQOSA-N 0 0 390.823 4.015 20 5 GIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023510145 818950958 /nfs/dbraw/zinc/95/09/58/818950958.db2.gz OXIZDNYJTDGDHW-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000023534294 818956590 /nfs/dbraw/zinc/95/65/90/818956590.db2.gz ZLIWUFOTJHKYNS-UHFFFAOYSA-N 0 0 385.807 4.409 20 5 GIBDRN Cc1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000023537507 818957257 /nfs/dbraw/zinc/95/72/57/818957257.db2.gz LWAVWJANAIIMJK-UHFFFAOYSA-N 0 0 398.202 4.390 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000023601542 818962597 /nfs/dbraw/zinc/96/25/97/818962597.db2.gz OMWMDPUACWQBSF-LBPRGKRZSA-N 0 0 396.415 4.335 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)nc1 ZINC000023616850 818965728 /nfs/dbraw/zinc/96/57/28/818965728.db2.gz ZMTSGROICJXSCG-UHFFFAOYSA-N 0 0 378.417 4.216 20 5 GIBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000572656739 823376869 /nfs/dbraw/zinc/37/68/69/823376869.db2.gz QSJSHNCUUXOVIE-NSHDSACASA-N 0 0 388.295 4.280 20 5 GIBDRN CCN(CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000024114042 819026206 /nfs/dbraw/zinc/02/62/06/819026206.db2.gz SZQBOJMEJCCXNZ-INIZCTEOSA-N 0 0 387.505 4.108 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc2cc(C)c3ccccc3n21 ZINC000024216302 819035719 /nfs/dbraw/zinc/03/57/19/819035719.db2.gz XBMLKWGKFGAPOD-UHFFFAOYSA-N 0 0 380.429 4.400 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(C3(c4ccccc4Br)CC3)no2)cc1 ZINC000572682361 823382010 /nfs/dbraw/zinc/38/20/10/823382010.db2.gz BVZUQGOQWLUEAB-UHFFFAOYSA-N 0 0 386.205 4.487 20 5 GIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024392650 819054475 /nfs/dbraw/zinc/05/44/75/819054475.db2.gz ODFGSBAFCPGFIO-HXUWFJFHSA-N 0 0 384.432 4.126 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)Cc1cccs1 ZINC000024465069 819060090 /nfs/dbraw/zinc/06/00/90/819060090.db2.gz RDLOTDBNSVEUJK-UHFFFAOYSA-N 0 0 388.470 4.326 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000177147822 823382959 /nfs/dbraw/zinc/38/29/59/823382959.db2.gz DYDMRGVBKAZBDP-ZDUSSCGKSA-N 0 0 395.419 4.398 20 5 GIBDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000058387547 823385255 /nfs/dbraw/zinc/38/52/55/823385255.db2.gz VGWMWKGNERXMSB-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN CC1(c2ccccc2)CC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000410079168 823385900 /nfs/dbraw/zinc/38/59/00/823385900.db2.gz DMDUHERREDPHAJ-UHFFFAOYSA-N 0 0 393.487 4.048 20 5 GIBDRN O=C(NCCc1cccc(Cl)c1Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058398286 823385925 /nfs/dbraw/zinc/38/59/25/823385925.db2.gz PHZFPRSFYOKHLR-UHFFFAOYSA-N 0 0 378.215 4.355 20 5 GIBDRN COc1cc(C(=O)Nc2cc(F)ccc2Br)cc([N+](=O)[O-])c1C ZINC000189278917 823385954 /nfs/dbraw/zinc/38/59/54/823385954.db2.gz MXYGVFRGRXUSHI-UHFFFAOYSA-N 0 0 383.173 4.066 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000572706365 823386244 /nfs/dbraw/zinc/38/62/44/823386244.db2.gz KKHCCXAZWPUHPQ-VWYCJHECSA-N 0 0 387.299 4.460 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3C[C@@H]4CCC[C@H]43)n2CCc2ccccc2)cc1 ZINC000460431566 823387094 /nfs/dbraw/zinc/38/70/94/823387094.db2.gz YNEOSYZZSSNWFW-AZUAARDMSA-N 0 0 389.459 4.085 20 5 GIBDRN O=[N+]([O-])c1cc(Br)ccc1SCCCO[C@@H]1CCCCO1 ZINC000460431822 823387268 /nfs/dbraw/zinc/38/72/68/823387268.db2.gz RUYOQBUKEIFTDE-CQSZACIVSA-N 0 0 376.272 4.383 20 5 GIBDRN CSc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000122647501 823387624 /nfs/dbraw/zinc/38/76/24/823387624.db2.gz CCMDQLGWBAJGNW-ZDUSSCGKSA-N 0 0 390.486 4.256 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(COc3cc(F)ccc3Br)o2)cc1 ZINC000122678305 823392724 /nfs/dbraw/zinc/39/27/24/823392724.db2.gz BGJBDPPLWOCVAB-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H]1COc2ccccc21 ZINC000572753971 823392975 /nfs/dbraw/zinc/39/29/75/823392975.db2.gz FCEQXPNRQDFOCE-SECBINFHSA-N 0 0 389.280 4.232 20 5 GIBDRN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000177175264 823391401 /nfs/dbraw/zinc/39/14/01/823391401.db2.gz JKBUVUGPRGIOJN-CYBMUJFWSA-N 0 0 387.411 4.083 20 5 GIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000058460161 823395096 /nfs/dbraw/zinc/39/50/96/823395096.db2.gz FDAROAZZLSEGAM-UHFFFAOYSA-N 0 0 375.812 4.029 20 5 GIBDRN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000410134313 823398843 /nfs/dbraw/zinc/39/88/43/823398843.db2.gz MLCFGDORADJRBN-LBPRGKRZSA-N 0 0 396.369 4.086 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1ccccc1 ZINC000177202996 823398374 /nfs/dbraw/zinc/39/83/74/823398374.db2.gz ZGIUIKPTTQXPOB-NWDGAFQWSA-N 0 0 377.238 4.279 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460481926 823403827 /nfs/dbraw/zinc/40/38/27/823403827.db2.gz WPXPSHRJOBHJRA-HZPDHXFCSA-N 0 0 378.350 4.076 20 5 GIBDRN Cn1cc(C(=O)NCCCc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122727969 823401641 /nfs/dbraw/zinc/40/16/41/823401641.db2.gz ALERCSWCGXEFAM-UHFFFAOYSA-N 0 0 398.850 4.011 20 5 GIBDRN COc1cc(Cc2noc(-c3coc4cc(F)ccc34)n2)c([N+](=O)[O-])c(OC)c1 ZINC000572801390 823401669 /nfs/dbraw/zinc/40/16/69/823401669.db2.gz KHKGKBDHJHEBOB-UHFFFAOYSA-N 0 0 399.334 4.138 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(C(F)(F)F)s2)c1 ZINC000572803087 823401854 /nfs/dbraw/zinc/40/18/54/823401854.db2.gz VAHNQMWXEYQWSG-UHFFFAOYSA-N 0 0 377.369 4.353 20 5 GIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189374212 823403090 /nfs/dbraw/zinc/40/30/90/823403090.db2.gz IORZGOYXEZMGBE-GUYCJALGSA-N 0 0 375.812 4.148 20 5 GIBDRN Cc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1Oc1ccncc1 ZINC000460479224 823403169 /nfs/dbraw/zinc/40/31/69/823403169.db2.gz AGTCDZBILDIGOM-UHFFFAOYSA-N 0 0 377.400 4.063 20 5 GIBDRN Cc1cc(Br)ccc1SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000058520506 823403231 /nfs/dbraw/zinc/40/32/31/823403231.db2.gz RROCFFVMEHVUJW-UHFFFAOYSA-N 0 0 395.278 4.421 20 5 GIBDRN O=[N+]([O-])c1c(N[C@@H]2CCCc3cc(OC(F)F)ccc32)nc2sccn21 ZINC000058555755 823408508 /nfs/dbraw/zinc/40/85/08/823408508.db2.gz GKMKATDINHHAHC-GFCCVEGCSA-N 0 0 380.376 4.395 20 5 GIBDRN CCS[C@@H](C)c1noc(COc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000122750950 823405379 /nfs/dbraw/zinc/40/53/79/823405379.db2.gz OPQDPQMCSBDLIZ-QMMMGPOBSA-N 0 0 388.243 4.133 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000460488305 823405708 /nfs/dbraw/zinc/40/57/08/823405708.db2.gz DEWGEJUOHTVMTH-UHFFFAOYSA-N 0 0 395.459 4.086 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460498099 823408651 /nfs/dbraw/zinc/40/86/51/823408651.db2.gz VTZSRJIZFBJDGA-NSHDSACASA-N 0 0 383.231 4.028 20 5 GIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCCc2ccccc21 ZINC000460489388 823406182 /nfs/dbraw/zinc/40/61/82/823406182.db2.gz JVUXZXCKNZGDQQ-UHFFFAOYSA-N 0 0 376.416 4.154 20 5 GIBDRN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000122756821 823406826 /nfs/dbraw/zinc/40/68/26/823406826.db2.gz RMTAHOBQSUZPKO-UHFFFAOYSA-N 0 0 385.395 4.002 20 5 GIBDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000460495899 823407979 /nfs/dbraw/zinc/40/79/79/823407979.db2.gz YCCCNQZWYIKBJW-CYBMUJFWSA-N 0 0 391.265 4.335 20 5 GIBDRN CNC(=O)c1ccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])c1 ZINC000058555704 823408455 /nfs/dbraw/zinc/40/84/55/823408455.db2.gz NALCLHIKGKWRCR-HNNXBMFYSA-N 0 0 391.374 4.045 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H](Oc1ccccc1)c1ccccc1 ZINC000460505411 823411032 /nfs/dbraw/zinc/41/10/32/823411032.db2.gz WSRMYKRIGQNKMF-NRFANRHFSA-N 0 0 376.412 4.074 20 5 GIBDRN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000460507990 823412005 /nfs/dbraw/zinc/41/20/05/823412005.db2.gz DNIDLDKLWWOQJU-UHFFFAOYSA-N 0 0 392.459 4.139 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)[C@H]1C[C@@H]1C ZINC000572873345 823412254 /nfs/dbraw/zinc/41/22/54/823412254.db2.gz NYFNEPWTVOOYKZ-YUNKPMOVSA-N 0 0 392.415 4.090 20 5 GIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000410193342 823415566 /nfs/dbraw/zinc/41/55/66/823415566.db2.gz RBPPNMSBIJCFCJ-ZDUSSCGKSA-N 0 0 382.395 4.185 20 5 GIBDRN COc1cc(N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000572896709 823416506 /nfs/dbraw/zinc/41/65/06/823416506.db2.gz DCYXXFPXRXETAN-YCRPNKLZSA-N 0 0 386.448 4.341 20 5 GIBDRN Cc1ccc(C(C)(C)CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000460519815 823416816 /nfs/dbraw/zinc/41/68/16/823416816.db2.gz IMKVSGRCOCGGJF-UHFFFAOYSA-N 0 0 392.459 4.139 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)c1ccccc1 ZINC000410199660 823417511 /nfs/dbraw/zinc/41/75/11/823417511.db2.gz ASGDILXTHFRNAI-OAHLLOKOSA-N 0 0 388.489 4.257 20 5 GIBDRN CC(C)c1n[nH]c(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000410202919 823418683 /nfs/dbraw/zinc/41/86/83/823418683.db2.gz AZQMOLRIDGSGRU-UHFFFAOYSA-N 0 0 394.834 4.196 20 5 GIBDRN CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000058637956 823421587 /nfs/dbraw/zinc/42/15/87/823421587.db2.gz BAWVTFLLTBHSDC-UHFFFAOYSA-N 0 0 375.384 4.124 20 5 GIBDRN C[C@@H](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000410212858 823421896 /nfs/dbraw/zinc/42/18/96/823421896.db2.gz XVUNBIMWBWZUGT-ZDUSSCGKSA-N 0 0 396.365 4.460 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c43)CC2)c1 ZINC000410224741 823424950 /nfs/dbraw/zinc/42/49/50/823424950.db2.gz PCMXLWZTAQCXLL-UHFFFAOYSA-N 0 0 397.406 4.186 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)COCCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000058646353 823423813 /nfs/dbraw/zinc/42/38/13/823423813.db2.gz LWFJMDCYFUSWOD-UHFFFAOYSA-N 0 0 397.456 4.225 20 5 GIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122854778 823424113 /nfs/dbraw/zinc/42/41/13/823424113.db2.gz DKRHDLVXZNHZNB-OCCSQVGLSA-N 0 0 387.299 4.104 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000058649333 823424231 /nfs/dbraw/zinc/42/42/31/823424231.db2.gz SZFFLSYTFSPJIZ-OAHLLOKOSA-N 0 0 396.443 4.212 20 5 GIBDRN Cc1c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000460529468 823421263 /nfs/dbraw/zinc/42/12/63/823421263.db2.gz XJAZCDHECALTHD-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN Cc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460541822 823425405 /nfs/dbraw/zinc/42/54/05/823425405.db2.gz BARHXQJYIOHTBH-OAHLLOKOSA-N 0 0 387.867 4.076 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000410231026 823427669 /nfs/dbraw/zinc/42/76/69/823427669.db2.gz VYQWLNLQNPDZHM-UHFFFAOYSA-N 0 0 397.406 4.186 20 5 GIBDRN C[C@@H](O)C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000177316192 823430796 /nfs/dbraw/zinc/43/07/96/823430796.db2.gz BRUISYLNAMVBPQ-CJNGLKHVSA-N 0 0 384.457 4.094 20 5 GIBDRN COc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)sc1Br ZINC000122905998 823431878 /nfs/dbraw/zinc/43/18/78/823431878.db2.gz OCLIYBPPNVQKBE-QMMMGPOBSA-N 0 0 397.250 4.019 20 5 GIBDRN COc1c(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000573006511 823432721 /nfs/dbraw/zinc/43/27/21/823432721.db2.gz 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20 5 GIBDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029897799 820543092 /nfs/dbraw/zinc/54/30/92/820543092.db2.gz WGTZTLUNFARTML-INIZCTEOSA-N 0 0 399.472 4.360 20 5 GIBDRN Cn1ccnc1[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000029987041 820561429 /nfs/dbraw/zinc/56/14/29/820561429.db2.gz OBZXNTQBLHVURB-LJQANCHMSA-N 0 0 392.459 4.145 20 5 GIBDRN Cn1cc(-c2noc(-c3ccccc3Sc3ccccc3[N+](=O)[O-])n2)cn1 ZINC000573405836 823489155 /nfs/dbraw/zinc/48/91/55/823489155.db2.gz WHCORNFOHOMPSY-UHFFFAOYSA-N 0 0 379.401 4.197 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000030217389 820588384 /nfs/dbraw/zinc/58/83/84/820588384.db2.gz PWTZEGFZRGDLKE-UHFFFAOYSA-N 0 0 392.459 4.067 20 5 GIBDRN O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000030295858 820596966 /nfs/dbraw/zinc/59/69/66/820596966.db2.gz ZAJCHIWXBRLOSM-UHFFFAOYSA-N 0 0 380.375 4.243 20 5 GIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030314375 820599460 /nfs/dbraw/zinc/59/94/60/820599460.db2.gz LQMDRNKJWGWDCA-UHFFFAOYSA-N 0 0 388.729 4.419 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc([N+](=O)[O-])ccc1Cl ZINC000059292245 823490218 /nfs/dbraw/zinc/49/02/18/823490218.db2.gz DOBGSESSEXKYTB-UHFFFAOYSA-N 0 0 378.215 4.355 20 5 GIBDRN O=C(Nc1ccc2c(c1)CCO2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030372602 820608417 /nfs/dbraw/zinc/60/84/17/820608417.db2.gz WZEIGZRRQANSJL-UHFFFAOYSA-N 0 0 389.411 4.394 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000030472130 820620066 /nfs/dbraw/zinc/62/00/66/820620066.db2.gz AMIQOPGNZFHURC-UHFFFAOYSA-N 0 0 395.415 4.224 20 5 GIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2cc1Br ZINC000573433806 823492592 /nfs/dbraw/zinc/49/25/92/823492592.db2.gz CMLOGUFBXOEKJB-UHFFFAOYSA-N 0 0 390.168 4.297 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410440093 823495719 /nfs/dbraw/zinc/49/57/19/823495719.db2.gz HYPPOQMRRSSXIR-IRXDYDNUSA-N 0 0 394.349 4.264 20 5 GIBDRN O=C(c1cc2cc(Cl)ccn2n1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000410446294 823496345 /nfs/dbraw/zinc/49/63/45/823496345.db2.gz OVJGLBDQBWQSDU-UHFFFAOYSA-N 0 0 384.823 4.485 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410449956 823496624 /nfs/dbraw/zinc/49/66/24/823496624.db2.gz WFVUBRJYONQYHY-IRXDYDNUSA-N 0 0 394.349 4.264 20 5 GIBDRN CCOc1cccnc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000177587360 823496904 /nfs/dbraw/zinc/49/69/04/823496904.db2.gz KETQXSIWYSBGGD-UHFFFAOYSA-N 0 0 384.417 4.073 20 5 GIBDRN COc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000030773401 820680280 /nfs/dbraw/zinc/68/02/80/820680280.db2.gz ZFYHYXBKJVEJSK-UHFFFAOYSA-N 0 0 391.427 4.251 20 5 GIBDRN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410467854 823497800 /nfs/dbraw/zinc/49/78/00/823497800.db2.gz LDTMLMZVFYRMKC-SJCJKPOMSA-N 0 0 394.349 4.216 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000059784878 823498537 /nfs/dbraw/zinc/49/85/37/823498537.db2.gz NIQSNMPQGMPAHX-UHFFFAOYSA-N 0 0 397.818 4.255 20 5 GIBDRN CCCOc1c(Cl)cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000059786286 823498809 /nfs/dbraw/zinc/49/88/09/823498809.db2.gz HFRDMKFXKMYZCQ-UHFFFAOYSA-N 0 0 392.839 4.366 20 5 GIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000031055373 820729172 /nfs/dbraw/zinc/72/91/72/820729172.db2.gz BWXBHDOYNAEVNR-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410551759 823503745 /nfs/dbraw/zinc/50/37/45/823503745.db2.gz VNEFYSNKHMWNPA-JSGCOSHPSA-N 0 0 376.400 4.408 20 5 GIBDRN CN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Cl ZINC000060018356 823504972 /nfs/dbraw/zinc/50/49/72/823504972.db2.gz NQOKEWPLPCMBRJ-UHFFFAOYSA-N 0 0 399.628 4.053 20 5 GIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410526528 823501681 /nfs/dbraw/zinc/50/16/81/823501681.db2.gz ONRMXGKOAOABIJ-GFCCVEGCSA-N 0 0 396.365 4.325 20 5 GIBDRN Cc1cnc([C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000410526135 823501683 /nfs/dbraw/zinc/50/16/83/823501683.db2.gz ICUIAQJLPUNJKC-ZDUSSCGKSA-N 0 0 385.367 4.260 20 5 GIBDRN CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000177639846 823505915 /nfs/dbraw/zinc/50/59/15/823505915.db2.gz SNIJKBNDKPJXJG-ZYHUDNBSSA-N 0 0 387.299 4.151 20 5 GIBDRN COc1cc(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc([N+](=O)[O-])c1C ZINC000189900375 823511797 /nfs/dbraw/zinc/51/17/97/823511797.db2.gz FQQDISFCLLXWHS-UHFFFAOYSA-N 0 0 395.419 4.073 20 5 GIBDRN COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC(C)C ZINC000031512044 820819907 /nfs/dbraw/zinc/81/99/07/820819907.db2.gz MPETVCKRGRIHHJ-NSHDSACASA-N 0 0 378.450 4.252 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H]1CC ZINC000460770167 823507578 /nfs/dbraw/zinc/50/75/78/823507578.db2.gz LJGJIZVUBRVEHA-KRWDZBQOSA-N 0 0 387.484 4.049 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000060107726 823508797 /nfs/dbraw/zinc/50/87/97/823508797.db2.gz RLARGCBZXFPGSJ-SFHVURJKSA-N 0 0 376.416 4.278 20 5 GIBDRN Cc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000060109470 823508854 /nfs/dbraw/zinc/50/88/54/823508854.db2.gz ARYFKDHRFGEUBB-UHFFFAOYSA-N 0 0 376.412 4.379 20 5 GIBDRN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000177662019 823509745 /nfs/dbraw/zinc/50/97/45/823509745.db2.gz LJKPJADOEPCGLH-NSHDSACASA-N 0 0 383.326 4.054 20 5 GIBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(c1ccccc1)[C@H]1CCOC1 ZINC000410754201 823512281 /nfs/dbraw/zinc/51/22/81/823512281.db2.gz HJNRFGUVNGZERS-AWEZNQCLSA-N 0 0 380.322 4.049 20 5 GIBDRN CCCN(CC(F)F)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000060273521 823514049 /nfs/dbraw/zinc/51/40/49/823514049.db2.gz GVPBFLNXIGPKJG-UHFFFAOYSA-N 0 0 386.342 4.209 20 5 GIBDRN COCCCC[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000410796244 823514264 /nfs/dbraw/zinc/51/42/64/823514264.db2.gz FWGSDQNYPGLEEU-QGZVFWFLSA-N 0 0 390.411 4.030 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(COc2ccccc2)cc1 ZINC000032304972 820910921 /nfs/dbraw/zinc/91/09/21/820910921.db2.gz HFWPVZWNYOUPER-UHFFFAOYSA-N 0 0 376.412 4.033 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])c(C)s4)CC3)c2c1 ZINC000032337281 820919225 /nfs/dbraw/zinc/91/92/25/820919225.db2.gz ZUHMNVFNRVNJSL-UHFFFAOYSA-N 0 0 397.456 4.384 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000032472807 820953747 /nfs/dbraw/zinc/95/37/47/820953747.db2.gz SGOZMLYHTLALIG-INIZCTEOSA-N 0 0 392.477 4.059 20 5 GIBDRN CCCN(C(=O)[C@H](C)Cc1cnc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000410823142 823517039 /nfs/dbraw/zinc/51/70/39/823517039.db2.gz PUZQFWGUNSDKBQ-OAHLLOKOSA-N 0 0 378.432 4.160 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000032496472 820961410 /nfs/dbraw/zinc/96/14/10/820961410.db2.gz HFPOIYBUACMHKN-SECBINFHSA-N 0 0 380.809 4.096 20 5 GIBDRN COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC000410951146 823523809 /nfs/dbraw/zinc/52/38/09/823523809.db2.gz DKZBXNGJZQAZIT-ZDUSSCGKSA-N 0 0 380.322 4.300 20 5 GIBDRN Cc1nc2ccccc2n1CCc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000460823001 823522591 /nfs/dbraw/zinc/52/25/91/823522591.db2.gz HWOFJIQRYYTYIN-FLIBITNWSA-N 0 0 375.388 4.049 20 5 GIBDRN COc1cc(C(=O)N2CCCc3cc(OC(F)F)ccc32)cc([N+](=O)[O-])c1C ZINC000189990957 823522651 /nfs/dbraw/zinc/52/26/51/823522651.db2.gz AJCNSAIPGSORCY-UHFFFAOYSA-N 0 0 392.358 4.106 20 5 GIBDRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033145739 821038124 /nfs/dbraw/zinc/03/81/24/821038124.db2.gz IWPYLIHUCRCLKZ-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cc2ccccc2o1 ZINC000033159987 821040854 /nfs/dbraw/zinc/04/08/54/821040854.db2.gz VHSLWXDDYOQDKY-CYBMUJFWSA-N 0 0 376.372 4.018 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2ccccn2)c1 ZINC000033181710 821044625 /nfs/dbraw/zinc/04/46/25/821044625.db2.gz XCZQRAJRXRHKCI-UHFFFAOYSA-N 0 0 395.440 4.300 20 5 GIBDRN Cc1cc2sc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000033227359 821050914 /nfs/dbraw/zinc/05/09/14/821050914.db2.gz PAANRVNLEPZKRL-UHFFFAOYSA-N 0 0 393.428 4.259 20 5 GIBDRN CN(CCCc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000060440555 823528006 /nfs/dbraw/zinc/52/80/06/823528006.db2.gz VSEHLPAYUVGYEN-UHFFFAOYSA-N 0 0 377.238 4.062 20 5 GIBDRN Cc1ccc(Cn2nccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 ZINC000060441364 823528205 /nfs/dbraw/zinc/52/82/05/823528205.db2.gz YLUVBBXCYSTLSP-UHFFFAOYSA-N 0 0 382.401 4.208 20 5 GIBDRN COc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000036036809 821067487 /nfs/dbraw/zinc/06/74/87/821067487.db2.gz VOLVSASYWLYQOW-UHFFFAOYSA-N 0 0 386.351 4.353 20 5 GIBDRN Cc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1[N+](=O)[O-] ZINC000036726740 821079424 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385.445 4.348 20 5 GIBDRN Cc1ccc(C2(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000177836817 823534073 /nfs/dbraw/zinc/53/40/73/823534073.db2.gz AYTTZQYGPDZHNZ-KRWDZBQOSA-N 0 0 382.460 4.137 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000041239354 821179526 /nfs/dbraw/zinc/17/95/26/821179526.db2.gz KLLYXYBXNBDRAE-KRWDZBQOSA-N 0 0 389.839 4.009 20 5 GIBDRN Cc1cnc(OC(C)C)c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000411019074 823534328 /nfs/dbraw/zinc/53/43/28/823534328.db2.gz SLHZYKAYNRMRDF-UHFFFAOYSA-N 0 0 383.326 4.357 20 5 GIBDRN Cc1c(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123718066 823534541 /nfs/dbraw/zinc/53/45/41/823534541.db2.gz MVIRWBHNHWCJEZ-LLVKDONJSA-N 0 0 377.784 4.298 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2csc3ccccc23)cc1C ZINC000060500037 823535045 /nfs/dbraw/zinc/53/50/45/823535045.db2.gz JFPMYUBUNIJHKQ-UHFFFAOYSA-N 0 0 390.486 4.247 20 5 GIBDRN 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ZINC000182777466 822366091 /nfs/dbraw/zinc/36/60/91/822366091.db2.gz GTONATIHLFJWJA-ZDUSSCGKSA-N 0 0 378.228 4.046 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000045175004 822368057 /nfs/dbraw/zinc/36/80/57/822368057.db2.gz RIWXGLSOJORTPW-HNNXBMFYSA-N 0 0 392.459 4.256 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000045197958 822370042 /nfs/dbraw/zinc/37/00/42/822370042.db2.gz DDAATKCITOKGQI-UHFFFAOYSA-N 0 0 394.349 4.184 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000045220022 822371177 /nfs/dbraw/zinc/37/11/77/822371177.db2.gz ZWWGJJMULGMYBI-NRFANRHFSA-N 0 0 380.375 4.019 20 5 GIBDRN C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000045248225 822373297 /nfs/dbraw/zinc/37/32/97/822373297.db2.gz CMTWTLMHDLSRSD-CYBMUJFWSA-N 0 0 384.823 4.267 20 5 GIBDRN O=C(NC[C@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182838612 822376061 /nfs/dbraw/zinc/37/60/61/822376061.db2.gz LRWHTRDJDIROJP-RDJZCZTQSA-N 0 0 392.521 4.158 20 5 GIBDRN COc1cc(CSCc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182843259 822376951 /nfs/dbraw/zinc/37/69/51/822376951.db2.gz WMGUWCXZEVEKNS-UHFFFAOYSA-N 0 0 376.406 4.137 20 5 GIBDRN CCCN(C(=O)c1ccccc1NC(=O)NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000178417607 822377430 /nfs/dbraw/zinc/37/74/30/822377430.db2.gz FLOJZLHTURAWHP-UHFFFAOYSA-N 0 0 398.463 4.177 20 5 GIBDRN Cc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045341327 822379471 /nfs/dbraw/zinc/37/94/71/822379471.db2.gz GSPDNLFSHXMHTQ-UHFFFAOYSA-N 0 0 387.745 4.243 20 5 GIBDRN COc1ccc2nc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000045342746 822379696 /nfs/dbraw/zinc/37/96/96/822379696.db2.gz AWJOWCDVDQTBTN-JTQLQIEISA-N 0 0 389.458 4.332 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)OCO2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178476148 822382956 /nfs/dbraw/zinc/38/29/56/822382956.db2.gz VNMAYCBTWQKITJ-UHFFFAOYSA-N 0 0 388.685 4.248 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3ccccc3c2)cc1OC ZINC000045401863 822384600 /nfs/dbraw/zinc/38/46/00/822384600.db2.gz CZEBPPWHDJCQAR-UHFFFAOYSA-N 0 0 380.400 4.085 20 5 GIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 ZINC000182920163 822392907 /nfs/dbraw/zinc/39/29/07/822392907.db2.gz AWZJNVIGPPIPHC-ZDUSSCGKSA-N 0 0 397.403 4.111 20 5 GIBDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178582961 822394023 /nfs/dbraw/zinc/39/40/23/822394023.db2.gz BTDRZVBSOOWZLK-ZBEGNZNMSA-N 0 0 388.420 4.191 20 5 GIBDRN Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178677169 822402017 /nfs/dbraw/zinc/40/20/17/822402017.db2.gz KJZZMLFFMDYBLP-UHFFFAOYSA-N 0 0 389.455 4.494 20 5 GIBDRN CCC(CC)n1nc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000182978189 822403503 /nfs/dbraw/zinc/40/35/03/822403503.db2.gz PETXHIBDUDQDJH-UHFFFAOYSA-N 0 0 396.451 4.207 20 5 GIBDRN Cc1c(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cccc1[N+](=O)[O-] ZINC000178752137 822407188 /nfs/dbraw/zinc/40/71/88/822407188.db2.gz NEPBACRWVLXXIR-UHFFFAOYSA-N 0 0 378.388 4.012 20 5 GIBDRN Cc1c([C@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000182993677 822407437 /nfs/dbraw/zinc/40/74/37/822407437.db2.gz NTCXCTRGDBTXOI-INIZCTEOSA-N 0 0 390.443 4.401 20 5 GIBDRN NC(=O)c1ccc(CNc2cccc(OCc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 ZINC000045734315 822409453 /nfs/dbraw/zinc/40/94/53/822409453.db2.gz IQUNWJDFVPWIPD-UHFFFAOYSA-N 0 0 395.390 4.024 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN(CC3CCC3)CC(F)(F)F)o2)c1 ZINC000178817558 822413394 /nfs/dbraw/zinc/41/33/94/822413394.db2.gz CFPNUUMRUNJIPX-UHFFFAOYSA-N 0 0 383.370 4.457 20 5 GIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000045799568 822414738 /nfs/dbraw/zinc/41/47/38/822414738.db2.gz QVWIBPMLZIBPPB-QGZVFWFLSA-N 0 0 382.869 4.065 20 5 GIBDRN CC(C)c1ccccc1OC[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000045870601 822420406 /nfs/dbraw/zinc/42/04/06/822420406.db2.gz ASMZWKOBLWNQBD-IBGZPJMESA-N 0 0 388.467 4.113 20 5 GIBDRN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000045881506 822421334 /nfs/dbraw/zinc/42/13/34/822421334.db2.gz TUXRTMCZWCYEMB-QGZVFWFLSA-N 0 0 384.435 4.300 20 5 GIBDRN CS(=O)(=O)c1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000045910105 822423149 /nfs/dbraw/zinc/42/31/49/822423149.db2.gz QCWFZSIZPFJYEP-UHFFFAOYSA-N 0 0 395.742 4.463 20 5 GIBDRN CC(C)COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000045928854 822424276 /nfs/dbraw/zinc/42/42/76/822424276.db2.gz QZNLJSPNOWOUAD-UHFFFAOYSA-N 0 0 378.812 4.301 20 5 GIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000045988032 822430936 /nfs/dbraw/zinc/43/09/36/822430936.db2.gz DTQFGKVVTNAVRT-UHFFFAOYSA-N 0 0 394.387 4.112 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000454139974 822432794 /nfs/dbraw/zinc/43/27/94/822432794.db2.gz FIJAPVGTCUMPMY-UHFFFAOYSA-N 0 0 375.812 4.155 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000454143291 822432842 /nfs/dbraw/zinc/43/28/42/822432842.db2.gz ZAPMVEIGIFVQMM-AXFHLTTASA-N 0 0 375.347 4.187 20 5 GIBDRN Cc1cc(Oc2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)n[nH]1 ZINC000183159755 822433224 /nfs/dbraw/zinc/43/32/24/822433224.db2.gz VCYTUNSWOKEIFG-LBPRGKRZSA-N 0 0 384.367 4.300 20 5 GIBDRN CCCCCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C(C)C ZINC000046016214 822435122 /nfs/dbraw/zinc/43/51/22/822435122.db2.gz AHGYAKTYUKRLBU-UHFFFAOYSA-N 0 0 386.496 4.497 20 5 GIBDRN Cc1c(NC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000454199330 822438087 /nfs/dbraw/zinc/43/80/87/822438087.db2.gz MXGIDHUTZDJBAT-HNNXBMFYSA-N 0 0 397.353 4.167 20 5 GIBDRN Cc1c(NC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cccc1[N+](=O)[O-] ZINC000454208939 822439058 /nfs/dbraw/zinc/43/90/58/822439058.db2.gz XTOYECBUEKUETR-UHFFFAOYSA-N 0 0 394.353 4.425 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000454224938 822440520 /nfs/dbraw/zinc/44/05/20/822440520.db2.gz LFHJJZZTAUREOO-NWDGAFQWSA-N 0 0 379.363 4.318 20 5 GIBDRN CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000046147198 822444250 /nfs/dbraw/zinc/44/42/50/822444250.db2.gz WUIKTZDAVAHTNO-UHFFFAOYSA-N 0 0 394.431 4.017 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(-c2ccccc2)cc1 ZINC000046169894 822446543 /nfs/dbraw/zinc/44/65/43/822446543.db2.gz HZBRJQOKGOFPRV-UHFFFAOYSA-N 0 0 377.400 4.321 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCc4[nH]c5ccc(F)cc5c4C3)co2)cc1 ZINC000179231065 822454537 /nfs/dbraw/zinc/45/45/37/822454537.db2.gz ROVNOIBWMCRACQ-UHFFFAOYSA-N 0 0 392.390 4.429 20 5 GIBDRN Cc1cc(CS(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)s1 ZINC000179236541 822455563 /nfs/dbraw/zinc/45/55/63/822455563.db2.gz COIROPBURWEWPO-UHFFFAOYSA-N 0 0 392.458 4.043 20 5 GIBDRN CCCOc1cc(NC(=O)c2nc(C)sc2C)c([N+](=O)[O-])cc1OCCC ZINC000179238083 822455810 /nfs/dbraw/zinc/45/58/10/822455810.db2.gz LWUPDCZSQPMDFY-UHFFFAOYSA-N 0 0 393.465 4.498 20 5 GIBDRN O=C(NCc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046256062 822455878 /nfs/dbraw/zinc/45/58/78/822455878.db2.gz HKMRHQUFYHGIMY-UHFFFAOYSA-N 0 0 375.631 4.002 20 5 GIBDRN Cc1c(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000179252700 822457579 /nfs/dbraw/zinc/45/75/79/822457579.db2.gz VKGMQEXWXQMECK-FUHWJXTLSA-N 0 0 388.855 4.124 20 5 GIBDRN CC(C)n1ncc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc21 ZINC000179253860 822457741 /nfs/dbraw/zinc/45/77/41/822457741.db2.gz SVDNLQMIJJIYQR-UHFFFAOYSA-N 0 0 377.404 4.188 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2cc(Br)ccc21 ZINC000179270352 822459586 /nfs/dbraw/zinc/45/95/86/822459586.db2.gz JRWQHHVQFRWNCP-UHFFFAOYSA-N 0 0 381.613 4.214 20 5 GIBDRN CCOc1cc(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000454347719 822460436 /nfs/dbraw/zinc/46/04/36/822460436.db2.gz IECNGLAYGQOTIY-IFXJQAMLSA-N 0 0 389.452 4.045 20 5 GIBDRN COC(=O)c1cc(Cl)cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000179283559 822460786 /nfs/dbraw/zinc/46/07/86/822460786.db2.gz NOTNJXWQINUHFY-UHFFFAOYSA-N 0 0 387.779 4.302 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000454369283 822463728 /nfs/dbraw/zinc/46/37/28/822463728.db2.gz SFAXHDWIKLJHSK-SGTLLEGYSA-N 0 0 375.375 4.481 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](Oc4cccc(F)c4)C3)co2)cc1 ZINC000183362748 822463888 /nfs/dbraw/zinc/46/38/88/822463888.db2.gz GFWSQVFKNOBJAJ-LJQANCHMSA-N 0 0 383.379 4.042 20 5 GIBDRN Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000183372291 822465291 /nfs/dbraw/zinc/46/52/91/822465291.db2.gz PBRYRNFJPGDPSY-UHFFFAOYSA-N 0 0 378.388 4.385 20 5 GIBDRN O=C(NCc1cccc2cccnc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454405443 822470185 /nfs/dbraw/zinc/47/01/85/822470185.db2.gz LNAOEMNDZZMWME-IBGZPJMESA-N 0 0 390.443 4.232 20 5 GIBDRN Cc1noc(C)c1CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000046408161 822471288 /nfs/dbraw/zinc/47/12/88/822471288.db2.gz PPSHGGKTCHIKJK-UHFFFAOYSA-N 0 0 380.404 4.215 20 5 GIBDRN CCc1ccccc1NC(=O)[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179375071 822473279 /nfs/dbraw/zinc/47/32/79/822473279.db2.gz GFXJMDXBGQCUEC-ZDUSSCGKSA-N 0 0 375.856 4.270 20 5 GIBDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000046480138 822477150 /nfs/dbraw/zinc/47/71/50/822477150.db2.gz VAKFCGGZBLMQGV-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183454806 822477532 /nfs/dbraw/zinc/47/75/32/822477532.db2.gz CXTZUBLKZVVGRY-LLVKDONJSA-N 0 0 388.786 4.315 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046503231 822479085 /nfs/dbraw/zinc/47/90/85/822479085.db2.gz LKPHXPGNNNTZCQ-GFCCVEGCSA-N 0 0 395.444 4.448 20 5 GIBDRN CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000179419394 822479662 /nfs/dbraw/zinc/47/96/62/822479662.db2.gz GGFBDPNRKFEZMM-UHFFFAOYSA-N 0 0 382.189 4.160 20 5 GIBDRN O=C(NCc1cccc2cccnc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179440153 822483171 /nfs/dbraw/zinc/48/31/71/822483171.db2.gz DFTTURZXHDNRIA-UHFFFAOYSA-N 0 0 376.416 4.017 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000179444471 822483908 /nfs/dbraw/zinc/48/39/08/822483908.db2.gz BYNCNUCEEFNBAF-HNNXBMFYSA-N 0 0 396.447 4.387 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 ZINC000046606682 822491147 /nfs/dbraw/zinc/49/11/47/822491147.db2.gz LMYLTAUYSOULKG-UHFFFAOYSA-N 0 0 387.461 4.097 20 5 GIBDRN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000046640160 822496727 /nfs/dbraw/zinc/49/67/27/822496727.db2.gz BMHJYELLUUBMLP-NSHDSACASA-N 0 0 382.388 4.166 20 5 GIBDRN Cc1cc(Cl)ccc1Cc1c[nH]c(=NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000046647675 822497918 /nfs/dbraw/zinc/49/79/18/822497918.db2.gz ZYLZBXUUMSEHHL-UHFFFAOYSA-N 0 0 387.848 4.278 20 5 GIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179544826 822500512 /nfs/dbraw/zinc/50/05/12/822500512.db2.gz 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CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000046685071 822504859 /nfs/dbraw/zinc/50/48/59/822504859.db2.gz RKBJRUBVDNFGIO-UHFFFAOYSA-N 0 0 378.812 4.054 20 5 GIBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(OC(F)F)c1 ZINC000179576656 822506162 /nfs/dbraw/zinc/50/61/62/822506162.db2.gz ZMGRCCBHBAFSNB-LLVKDONJSA-N 0 0 390.346 4.097 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Br ZINC000046697387 822506658 /nfs/dbraw/zinc/50/66/58/822506658.db2.gz VHIIQKVMCWEGJB-NSHDSACASA-N 0 0 393.237 4.165 20 5 GIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000183670907 822508675 /nfs/dbraw/zinc/50/86/75/822508675.db2.gz FQCRTSNNVUDCQG-UHFFFAOYSA-N 0 0 379.420 4.146 20 5 GIBDRN CCOc1ccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000046715088 822508738 /nfs/dbraw/zinc/50/87/38/822508738.db2.gz DZDCZFZPHMNBCY-UHFFFAOYSA-N 0 0 382.338 4.285 20 5 GIBDRN Cc1nccn1-c1ccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000183675112 822509658 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O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000179712656 822533061 /nfs/dbraw/zinc/53/30/61/822533061.db2.gz BHLCGRMBGDOTJI-VGSWGCGISA-N 0 0 399.494 4.004 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000454791295 822534699 /nfs/dbraw/zinc/53/46/99/822534699.db2.gz HGXCJVDTUFDMBZ-DOMZBBRYSA-N 0 0 395.868 4.029 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000454791296 822534713 /nfs/dbraw/zinc/53/47/13/822534713.db2.gz HGXCJVDTUFDMBZ-IUODEOHRSA-N 0 0 395.868 4.029 20 5 GIBDRN CC1(C)CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H]2COC[C@@H]21 ZINC000454817149 822539941 /nfs/dbraw/zinc/53/99/41/822539941.db2.gz SCTHGTZHEXBOHU-RBUKOAKNSA-N 0 0 397.431 4.276 20 5 GIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000183913284 822545120 /nfs/dbraw/zinc/54/51/20/822545120.db2.gz NQTRZDGCYHEBPH-QFYYESIMSA-N 0 0 377.441 4.138 20 5 GIBDRN 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184118709 822581288 /nfs/dbraw/zinc/58/12/88/822581288.db2.gz UHDORXOUYNWBTR-UHFFFAOYSA-N 0 0 399.838 4.372 20 5 GIBDRN COc1ccccc1[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)OC(C)C ZINC000184129660 822583426 /nfs/dbraw/zinc/58/34/26/822583426.db2.gz WXHJZRXQKQFMGD-HXUWFJFHSA-N 0 0 399.447 4.066 20 5 GIBDRN Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1S(C)(=O)=O ZINC000179959368 822585882 /nfs/dbraw/zinc/58/58/82/822585882.db2.gz GZBNOOHFLWWDMZ-UHFFFAOYSA-N 0 0 390.464 4.352 20 5 GIBDRN CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(OCC)c([N+](=O)[O-])c3)cc21 ZINC000179968518 822587581 /nfs/dbraw/zinc/58/75/81/822587581.db2.gz FBCLZEFKROXNMO-AWEZNQCLSA-N 0 0 398.463 4.259 20 5 GIBDRN C[C@H](NC(=O)N1CCC(OC2CCC(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455088922 822587582 /nfs/dbraw/zinc/58/75/82/822587582.db2.gz BKGNBYMHGVHENG-WUJZJPHMSA-N 0 0 389.496 4.425 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000455088800 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ZINC000180142541 822625241 /nfs/dbraw/zinc/62/52/41/822625241.db2.gz NUTXXUILWATTAS-LBPRGKRZSA-N 0 0 385.388 4.181 20 5 GIBDRN Cc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cccc1N(C)C ZINC000180143881 822625600 /nfs/dbraw/zinc/62/56/00/822625600.db2.gz LTDDVFJUEGADQM-UHFFFAOYSA-N 0 0 398.463 4.045 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cccc(OC(F)F)c1 ZINC000180144232 822625778 /nfs/dbraw/zinc/62/57/78/822625778.db2.gz RFHVHTLXRXAIDE-LBPRGKRZSA-N 0 0 385.388 4.181 20 5 GIBDRN C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000048098206 822631721 /nfs/dbraw/zinc/63/17/21/822631721.db2.gz YZCQNHQUPGBGLP-OAHLLOKOSA-N 0 0 396.447 4.104 20 5 GIBDRN Cc1c(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000455352724 822638754 /nfs/dbraw/zinc/63/87/54/822638754.db2.gz JZUIBKHARMGALF-CZUORRHYSA-N 0 0 394.269 4.318 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000455361856 822640464 /nfs/dbraw/zinc/64/04/64/822640464.db2.gz RKIRDKMWRGZAQD-UHFFFAOYSA-N 0 0 375.812 4.278 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000184475526 822642588 /nfs/dbraw/zinc/64/25/88/822642588.db2.gz QHGHKWSJYSIRGI-UGSOOPFHSA-N 0 0 389.839 4.092 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184486500 822644083 /nfs/dbraw/zinc/64/40/83/822644083.db2.gz RNILGSGITHBDFL-CHWSQXEVSA-N 0 0 390.509 4.335 20 5 GIBDRN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000180229642 822644188 /nfs/dbraw/zinc/64/41/88/822644188.db2.gz QGDITUXXJLPNMZ-UHFFFAOYSA-N 0 0 377.803 4.264 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCC(F)(F)F)c1 ZINC000048195991 822644464 /nfs/dbraw/zinc/64/44/64/822644464.db2.gz VIJBRMJMIAUXGA-UHFFFAOYSA-N 0 0 386.351 4.267 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000048230584 822647255 /nfs/dbraw/zinc/64/72/55/822647255.db2.gz VTPROTGOTJDGJP-UHFFFAOYSA-N 0 0 393.808 4.012 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CCO)c3ccco3)o2)c(Cl)c1 ZINC000184510291 822648025 /nfs/dbraw/zinc/64/80/25/822648025.db2.gz YNMIOTXHSAFDLD-MRXNPFEDSA-N 0 0 376.796 4.315 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000180253873 822648805 /nfs/dbraw/zinc/64/88/05/822648805.db2.gz XYASGAHQKIARIN-CQSZACIVSA-N 0 0 378.494 4.317 20 5 GIBDRN CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)c2cccs2)cc1 ZINC000048272276 822650403 /nfs/dbraw/zinc/65/04/03/822650403.db2.gz RLTPGLYXPPFNDC-VLIAUNLRSA-N 0 0 398.488 4.272 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000455419998 822650394 /nfs/dbraw/zinc/65/03/94/822650394.db2.gz SKODZPYIJYMFMM-VQIMIIECSA-N 0 0 398.463 4.329 20 5 GIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc([N+](=O)[O-])s2)C3)cs1 ZINC000180264377 822650729 /nfs/dbraw/zinc/65/07/29/822650729.db2.gz WGUWXIDSJAGHQN-UHFFFAOYSA-N 0 0 391.499 4.348 20 5 GIBDRN CCOc1ccc([C@H](C)Nc2cccc(NC(=O)[C@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000180267853 822651409 /nfs/dbraw/zinc/65/14/09/822651409.db2.gz BJRXOQRDBNTVNZ-KBPBESRZSA-N 0 0 387.436 4.140 20 5 GIBDRN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048323506 822653905 /nfs/dbraw/zinc/65/39/05/822653905.db2.gz PXJQPGSAAJBCLT-UHFFFAOYSA-N 0 0 388.383 4.193 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184558224 822657155 /nfs/dbraw/zinc/65/71/55/822657155.db2.gz FACJCRKARBAJHW-UHFFFAOYSA-N 0 0 386.456 4.134 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1Br ZINC000184559571 822657426 /nfs/dbraw/zinc/65/74/26/822657426.db2.gz FGYUWHVBTZVJMR-NSHDSACASA-N 0 0 393.237 4.165 20 5 GIBDRN CN(C(=O)[C@H]1CCOc2ccccc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180294831 822658048 /nfs/dbraw/zinc/65/80/48/822658048.db2.gz SORJKIZYYDJWOU-AWEZNQCLSA-N 0 0 395.440 4.247 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000455462598 822659082 /nfs/dbraw/zinc/65/90/82/822659082.db2.gz LCCWBOOADNMRQU-GTNSWQLSSA-N 0 0 375.450 4.043 20 5 GIBDRN COCc1ccccc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180329806 822664423 /nfs/dbraw/zinc/66/44/23/822664423.db2.gz BECCTFUMDOMSSZ-UHFFFAOYSA-N 0 0 382.363 4.006 20 5 GIBDRN COc1cc(OC)c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1Cl ZINC000180385955 822673639 /nfs/dbraw/zinc/67/36/39/822673639.db2.gz UPGYGNKYWISWTJ-UHFFFAOYSA-N 0 0 378.812 4.443 20 5 GIBDRN COc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1C ZINC000455572734 822676671 /nfs/dbraw/zinc/67/66/71/822676671.db2.gz KFBSEIFFIGMKCJ-INIZCTEOSA-N 0 0 399.447 4.332 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000184724768 822682220 /nfs/dbraw/zinc/68/22/20/822682220.db2.gz LLRYZDDRAZVODN-MRXNPFEDSA-N 0 0 387.505 4.335 20 5 GIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(C2CC2)n1 ZINC000455618890 822685116 /nfs/dbraw/zinc/68/51/16/822685116.db2.gz FGTJMZIKFWJCGB-UHFFFAOYSA-N 0 0 380.326 4.208 20 5 GIBDRN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)s1 ZINC000180455474 822685529 /nfs/dbraw/zinc/68/55/29/822685529.db2.gz JCYXOVKMEKZJFW-WMZOPIPTSA-N 0 0 376.503 4.030 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184754517 822686181 /nfs/dbraw/zinc/68/61/81/822686181.db2.gz HYRJWRHERCXUDE-ZDUSSCGKSA-N 0 0 397.410 4.316 20 5 GIBDRN O=C1CC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c3cccc1c32 ZINC000184794494 822692056 /nfs/dbraw/zinc/69/20/56/822692056.db2.gz MIRMDXMQHQFRIJ-AWEZNQCLSA-N 0 0 375.384 4.330 20 5 GIBDRN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cc(F)c(F)c(F)c1 ZINC000180510008 822694019 /nfs/dbraw/zinc/69/40/19/822694019.db2.gz DISGVEMNMODBFN-UHFFFAOYSA-N 0 0 377.322 4.299 20 5 GIBDRN CC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(C)cs1 ZINC000184814845 822694872 /nfs/dbraw/zinc/69/48/72/822694872.db2.gz AHBHTWOXCMKYEI-OAHLLOKOSA-N 0 0 398.282 4.177 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc1OC ZINC000180517749 822695028 /nfs/dbraw/zinc/69/50/28/822695028.db2.gz BILDSUYDROKDFX-AWEZNQCLSA-N 0 0 392.374 4.099 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000455669205 822696422 /nfs/dbraw/zinc/69/64/22/822696422.db2.gz YURFQLPYUVCAJG-UHFFFAOYSA-N 0 0 396.447 4.167 20 5 GIBDRN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 ZINC000184844405 822699185 /nfs/dbraw/zinc/69/91/85/822699185.db2.gz YVEAEFJHFXTOCJ-HUUCEWRRSA-N 0 0 385.439 4.315 20 5 GIBDRN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049655099 822704589 /nfs/dbraw/zinc/70/45/89/822704589.db2.gz AJDNKPUWRXRWRQ-ZDUSSCGKSA-N 0 0 384.823 4.267 20 5 GIBDRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000049758166 822707348 /nfs/dbraw/zinc/70/73/48/822707348.db2.gz BMVJIQOJCYIIRG-UHFFFAOYSA-N 0 0 380.360 4.393 20 5 GIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000180596619 822708143 /nfs/dbraw/zinc/70/81/43/822708143.db2.gz ASPCRCWDHXOVSC-LJQANCHMSA-N 0 0 399.422 4.322 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184901380 822710074 /nfs/dbraw/zinc/71/00/74/822710074.db2.gz NRNWHKGFDWGHPB-GFCCVEGCSA-N 0 0 383.354 4.051 20 5 GIBDRN Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000184912999 822712185 /nfs/dbraw/zinc/71/21/85/822712185.db2.gz LNRRFPRZMOMQPM-KRWDZBQOSA-N 0 0 375.812 4.162 20 5 GIBDRN COc1cc(OC)c(OC)cc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000049980475 822712937 /nfs/dbraw/zinc/71/29/37/822712937.db2.gz FOAVCKPHEMNDTJ-UHFFFAOYSA-N 0 0 386.326 4.252 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(F)c(F)cc1F ZINC000180623021 822714572 /nfs/dbraw/zinc/71/45/72/822714572.db2.gz JDSFQRHLPSXLPZ-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN CCCn1ncc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C1CC1 ZINC000455747302 822718857 /nfs/dbraw/zinc/71/88/57/822718857.db2.gz GGXQHANSJUXABE-UHFFFAOYSA-N 0 0 383.452 4.275 20 5 GIBDRN C[C@H](CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nccs1 ZINC000184985540 822722007 /nfs/dbraw/zinc/72/20/07/822722007.db2.gz GTFQZOCVWOFPQR-LLVKDONJSA-N 0 0 388.474 4.051 20 5 GIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050292806 822724109 /nfs/dbraw/zinc/72/41/09/822724109.db2.gz ZPXDSZYYYCGSLG-UHFFFAOYSA-N 0 0 388.336 4.018 20 5 GIBDRN CCN(CCc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050312038 822724970 /nfs/dbraw/zinc/72/49/70/822724970.db2.gz GJAWKRXOVRJPEO-UHFFFAOYSA-N 0 0 381.457 4.423 20 5 GIBDRN CCOC(=O)c1nc(-c2ccccc2)oc1COc1c(F)cccc1[N+](=O)[O-] ZINC000185028110 822727010 /nfs/dbraw/zinc/72/70/10/822727010.db2.gz KFOAOTZTDIOTHQ-UHFFFAOYSA-N 0 0 386.335 4.145 20 5 GIBDRN COc1ccc(N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000050347084 822726995 /nfs/dbraw/zinc/72/69/95/822726995.db2.gz QWZOMYNCDMJLPX-UHFFFAOYSA-N 0 0 399.428 4.012 20 5 GIBDRN O=C(NCc1cccc2cccnc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050355728 822727140 /nfs/dbraw/zinc/72/71/40/822727140.db2.gz YOICFRCWLMEVQX-UHFFFAOYSA-N 0 0 390.424 4.197 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](c2ccccc2)C1 ZINC000050356624 822727323 /nfs/dbraw/zinc/72/73/23/822727323.db2.gz NWRNGMPWKVHAGA-INIZCTEOSA-N 0 0 379.441 4.348 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000050399229 822728630 /nfs/dbraw/zinc/72/86/30/822728630.db2.gz ARRINBKPKHEWRL-CQSZACIVSA-N 0 0 394.475 4.424 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000185050184 822729394 /nfs/dbraw/zinc/72/93/94/822729394.db2.gz HOOQKZLGCVUQLQ-GDBMZVCRSA-N 0 0 386.448 4.058 20 5 GIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000050474807 822730670 /nfs/dbraw/zinc/73/06/70/822730670.db2.gz UMFXADCHRSIYBG-UHFFFAOYSA-N 0 0 387.823 4.013 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000185061480 822731032 /nfs/dbraw/zinc/73/10/32/822731032.db2.gz AQWVSSHBXVSVMC-IBGZPJMESA-N 0 0 392.459 4.008 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000185103784 822737436 /nfs/dbraw/zinc/73/74/36/822737436.db2.gz XNSCIIFYPIHPEU-SFHVURJKSA-N 0 0 397.475 4.074 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000050766984 822737918 /nfs/dbraw/zinc/73/79/18/822737918.db2.gz CCPQUYZQYDYVHH-LBPRGKRZSA-N 0 0 387.436 4.055 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000185107462 822737970 /nfs/dbraw/zinc/73/79/70/822737970.db2.gz CCTOACNUSUCUNH-SFHVURJKSA-N 0 0 394.471 4.285 20 5 GIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000050796812 822739180 /nfs/dbraw/zinc/73/91/80/822739180.db2.gz FHTPSSUIPXNCPE-UHFFFAOYSA-N 0 0 387.823 4.013 20 5 GIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000050806874 822739514 /nfs/dbraw/zinc/73/95/14/822739514.db2.gz QLJXSIATIGKBKR-UHFFFAOYSA-N 0 0 396.472 4.190 20 5 GIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185123987 822740114 /nfs/dbraw/zinc/74/01/14/822740114.db2.gz HTKVMASQNAAWIW-LBPRGKRZSA-N 0 0 388.399 4.006 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000185128451 822740649 /nfs/dbraw/zinc/74/06/49/822740649.db2.gz FWDWPGBASPJRGB-OAHLLOKOSA-N 0 0 381.432 4.151 20 5 GIBDRN C[C@H](C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185143043 822742171 /nfs/dbraw/zinc/74/21/71/822742171.db2.gz IBQHMUOYZVGHDI-AVYPCKFXSA-N 0 0 386.423 4.122 20 5 GIBDRN CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185201168 822748868 /nfs/dbraw/zinc/74/88/68/822748868.db2.gz SDJPBYIPDUMUCO-CPUCHLNUSA-N 0 0 378.350 4.383 20 5 GIBDRN C[C@H](c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)C(F)(F)F ZINC000455921226 822749878 /nfs/dbraw/zinc/74/98/78/822749878.db2.gz FSWXWYBSHLHUPV-GFCCVEGCSA-N 0 0 378.350 4.459 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000185251698 822754762 /nfs/dbraw/zinc/75/47/62/822754762.db2.gz QPDWBVRUIXNFOH-INIZCTEOSA-N 0 0 378.432 4.203 20 5 GIBDRN C[C@H](C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000185252527 822754806 /nfs/dbraw/zinc/75/48/06/822754806.db2.gz JVFODMKCYZESDY-RBZFPXEDSA-N 0 0 397.381 4.277 20 5 GIBDRN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185275250 822758241 /nfs/dbraw/zinc/75/82/41/822758241.db2.gz DPTZICWRQDJWLY-GJZGRUSLSA-N 0 0 390.361 4.307 20 5 GIBDRN COc1ccc(CN2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1[N+](=O)[O-] ZINC000051532518 822764618 /nfs/dbraw/zinc/76/46/18/822764618.db2.gz KCQRKAKJBIEYQL-UHFFFAOYSA-N 0 0 382.460 4.315 20 5 GIBDRN O=C(OCCOc1ccccc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051552180 822765638 /nfs/dbraw/zinc/76/56/38/822765638.db2.gz CVIGSRJVACQUCK-UHFFFAOYSA-N 0 0 388.376 4.093 20 5 GIBDRN Cc1cnc([C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185371736 822773758 /nfs/dbraw/zinc/77/37/58/822773758.db2.gz IXNSUVGDRYMBOD-BONVTDFDSA-N 0 0 394.884 4.081 20 5 GIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC2(CC2)C1 ZINC000185372665 822773981 /nfs/dbraw/zinc/77/39/81/822773981.db2.gz VZZNEACBOVTSLU-UHFFFAOYSA-N 0 0 395.246 4.104 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000185391083 822777409 /nfs/dbraw/zinc/77/74/09/822777409.db2.gz UGGKPIULBWKFDA-OAHLLOKOSA-N 0 0 375.494 4.288 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185396142 822778422 /nfs/dbraw/zinc/77/84/22/822778422.db2.gz XHNNWMNHOCAYNX-KRWDZBQOSA-N 0 0 389.839 4.470 20 5 GIBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456115499 822779575 /nfs/dbraw/zinc/77/95/75/822779575.db2.gz IFUAYJQQDNAICB-GHMZBOCLSA-N 0 0 394.777 4.207 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(CC)c1nc(C)cs1 ZINC000185409583 822780138 /nfs/dbraw/zinc/78/01/38/822780138.db2.gz NKQIOYHBOANQBQ-DNVCBOLYSA-N 0 0 375.494 4.370 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000185416259 822781061 /nfs/dbraw/zinc/78/10/61/822781061.db2.gz PPGLMVOIUATGHY-NHCUHLMSSA-N 0 0 396.487 4.229 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000185416201 822781065 /nfs/dbraw/zinc/78/10/65/822781065.db2.gz PPGLMVOIUATGHY-SFTDATJTSA-N 0 0 396.487 4.229 20 5 GIBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000456131607 822782321 /nfs/dbraw/zinc/78/23/21/822782321.db2.gz RETAYHAEBFMJNB-GHMZBOCLSA-N 0 0 376.350 4.201 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456137770 822783029 /nfs/dbraw/zinc/78/30/29/822783029.db2.gz WOHBMDDXCLATGA-BDAKNGLRSA-N 0 0 384.276 4.417 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1OC(F)F ZINC000185453275 822786421 /nfs/dbraw/zinc/78/64/21/822786421.db2.gz XWOOIAXYNBGUFK-UHFFFAOYSA-N 0 0 389.314 4.005 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000456192968 822787466 /nfs/dbraw/zinc/78/74/66/822787466.db2.gz SVCSCOXPCMUWNW-UHFFFAOYSA-N 0 0 396.451 4.008 20 5 GIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456252684 822790368 /nfs/dbraw/zinc/79/03/68/822790368.db2.gz MZSSNOKCILEFOL-LAUBAEHRSA-N 0 0 376.431 4.081 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])cs1 ZINC000174449267 822791159 /nfs/dbraw/zinc/79/11/59/822791159.db2.gz ODROAJFYYCFXJB-LLVKDONJSA-N 0 0 395.506 4.143 20 5 GIBDRN O=[N+]([O-])c1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1 ZINC000052163052 822791882 /nfs/dbraw/zinc/79/18/82/822791882.db2.gz QERGIROJWCBQFV-UHFFFAOYSA-N 0 0 384.333 4.229 20 5 GIBDRN O=C(Nc1ccccc1CC(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000174459764 822793117 /nfs/dbraw/zinc/79/31/17/822793117.db2.gz HCCQGWVZBGOQDQ-UHFFFAOYSA-N 0 0 390.321 4.138 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000185539705 822794761 /nfs/dbraw/zinc/79/47/61/822794761.db2.gz INHWFLGUDMGWKG-NNMXDRDESA-N 0 0 396.487 4.448 20 5 GIBDRN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000456290828 822794818 /nfs/dbraw/zinc/79/48/18/822794818.db2.gz NXMXNLGOLSZSGI-LBPRGKRZSA-N 0 0 388.367 4.183 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1nccs1)C(C)C ZINC000185540813 822794936 /nfs/dbraw/zinc/79/49/36/822794936.db2.gz QRPWYRDCHABYOC-MRXNPFEDSA-N 0 0 375.494 4.100 20 5 GIBDRN COCC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456301888 822795994 /nfs/dbraw/zinc/79/59/94/822795994.db2.gz UWEUGSNAZQKWQD-KRWDZBQOSA-N 0 0 396.365 4.050 20 5 GIBDRN COCCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1OC ZINC000052359763 822797285 /nfs/dbraw/zinc/79/72/85/822797285.db2.gz ZMFKKMNNFUNXEC-CQSZACIVSA-N 0 0 397.431 4.350 20 5 GIBDRN CCOc1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000052429448 822799131 /nfs/dbraw/zinc/79/91/31/822799131.db2.gz ORRKXFMQVCEOOJ-UHFFFAOYSA-N 0 0 380.347 4.410 20 5 GIBDRN C[C@@H](c1nccs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000185610929 822802013 /nfs/dbraw/zinc/80/20/13/822802013.db2.gz CERXWFMTSYJBQR-HNNXBMFYSA-N 0 0 398.488 4.190 20 5 GIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000174549484 822803765 /nfs/dbraw/zinc/80/37/65/822803765.db2.gz UFXQKQKCQOOVFE-JTQLQIEISA-N 0 0 383.857 4.074 20 5 GIBDRN CN(Cc1ccccc1Br)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000052605616 822804860 /nfs/dbraw/zinc/80/48/60/822804860.db2.gz SGMAHFSAYOOAPI-UHFFFAOYSA-N 0 0 388.221 4.111 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000456527853 822813291 /nfs/dbraw/zinc/81/32/91/822813291.db2.gz XPVQCZJZLCVDNM-MRXNPFEDSA-N 0 0 394.537 4.356 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052917335 822815722 /nfs/dbraw/zinc/81/57/22/822815722.db2.gz YQDBISGJOILMQD-MRXNPFEDSA-N 0 0 390.443 4.435 20 5 GIBDRN Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000456569782 822817047 /nfs/dbraw/zinc/81/70/47/822817047.db2.gz HYHMPAMIUCBALT-CMPLNLGQSA-N 0 0 384.276 4.249 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2nc3ccccc3n2C2CC2)cc1[N+](=O)[O-] ZINC000185776552 822820212 /nfs/dbraw/zinc/82/02/12/822820212.db2.gz USLPYAQDDBXBTH-CQSZACIVSA-N 0 0 393.447 4.148 20 5 GIBDRN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cn(C)c2ccccc12 ZINC000185779968 822820569 /nfs/dbraw/zinc/82/05/69/822820569.db2.gz MXRSHXUWWRKIRO-OAHLLOKOSA-N 0 0 377.444 4.381 20 5 GIBDRN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000174669709 822821345 /nfs/dbraw/zinc/82/13/45/822821345.db2.gz WMJJJAGLQRXNQQ-SNVBAGLBSA-N 0 0 376.775 4.288 20 5 GIBDRN Cc1cccc(N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000053206938 822825878 /nfs/dbraw/zinc/82/58/78/822825878.db2.gz AUAJJKDHNKWNNX-UHFFFAOYSA-N 0 0 381.476 4.163 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053292558 822829550 /nfs/dbraw/zinc/82/95/50/822829550.db2.gz WRSONXRTYAKFQF-CYBMUJFWSA-N 0 0 380.448 4.081 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000053367172 822831952 /nfs/dbraw/zinc/83/19/52/822831952.db2.gz ILBJVIYOEPENBW-HNNXBMFYSA-N 0 0 376.409 4.100 20 5 GIBDRN Cc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000053420617 822834155 /nfs/dbraw/zinc/83/41/55/822834155.db2.gz JNLPELAOIPNDDQ-INIZCTEOSA-N 0 0 390.443 4.401 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc1 ZINC000053455701 822835694 /nfs/dbraw/zinc/83/56/94/822835694.db2.gz WMCMFKYWNNVGLZ-AWEZNQCLSA-N 0 0 377.404 4.119 20 5 GIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@]2(CCSC2)C1 ZINC000456836386 822836735 /nfs/dbraw/zinc/83/67/35/822836735.db2.gz LQHDYEPBIHKKRS-JOCHJYFZSA-N 0 0 396.487 4.180 20 5 GIBDRN CCCOc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000053481013 822837116 /nfs/dbraw/zinc/83/71/16/822837116.db2.gz UTIRKNPOUNVZBR-UHFFFAOYSA-N 0 0 380.404 4.036 20 5 GIBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000053599548 822842147 /nfs/dbraw/zinc/84/21/47/822842147.db2.gz GAHKIHHAXINEDR-GFCCVEGCSA-N 0 0 391.353 4.040 20 5 GIBDRN CSc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1[N+](=O)[O-] ZINC000186027087 822844999 /nfs/dbraw/zinc/84/49/99/822844999.db2.gz BFQWIYOVPMBWMG-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN COc1cc(C(=O)N2CC[C@H](CC(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000457017665 822846587 /nfs/dbraw/zinc/84/65/87/822846587.db2.gz LYJFXMBOTMODFX-LLVKDONJSA-N 0 0 386.395 4.103 20 5 GIBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C(F)(F)F)cs1 ZINC000174855395 822846866 /nfs/dbraw/zinc/84/68/66/822846866.db2.gz HIBUSVYJYNZERI-ZETCQYMHSA-N 0 0 379.385 4.321 20 5 GIBDRN COc1cc(F)cc(C[C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000457054466 822848489 /nfs/dbraw/zinc/84/84/89/822848489.db2.gz KHCDCUSMRAVWEE-NSHDSACASA-N 0 0 380.803 4.065 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C(C)C)C3CC(C)(C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000457065799 822849518 /nfs/dbraw/zinc/84/95/18/822849518.db2.gz CWACUJFZIALSNQ-UHFFFAOYSA-N 0 0 398.507 4.496 20 5 GIBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000186098712 822851537 /nfs/dbraw/zinc/85/15/37/822851537.db2.gz WWRWLTRVDGPELV-UHFFFAOYSA-N 0 0 378.772 4.158 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000174903422 822853329 /nfs/dbraw/zinc/85/33/29/822853329.db2.gz JGHTYUUKDBNUOG-UHFFFAOYSA-N 0 0 399.447 4.143 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CCOc3ccncc32)cc1[N+](=O)[O-] ZINC000174915899 822855499 /nfs/dbraw/zinc/85/54/99/822855499.db2.gz MMLQKPFNNLZOTM-UHFFFAOYSA-N 0 0 387.461 4.167 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000054005119 822856939 /nfs/dbraw/zinc/85/69/39/822856939.db2.gz CGYHWHXSMBCOSF-KRWDZBQOSA-N 0 0 385.420 4.108 20 5 GIBDRN COc1cc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000457177607 822859157 /nfs/dbraw/zinc/85/91/57/822859157.db2.gz UPCOIPAXOFGUIV-MRXNPFEDSA-N 0 0 398.406 4.246 20 5 GIBDRN CC1(C)C[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000457188899 822859434 /nfs/dbraw/zinc/85/94/34/822859434.db2.gz PUMDVZOOBXLINE-QGZVFWFLSA-N 0 0 398.459 4.109 20 5 GIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054033740 822859819 /nfs/dbraw/zinc/85/98/19/822859819.db2.gz LDIYSYYLOIGIMQ-HNNXBMFYSA-N 0 0 376.796 4.058 20 5 GIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054033741 822859933 /nfs/dbraw/zinc/85/99/33/822859933.db2.gz LDIYSYYLOIGIMQ-OAHLLOKOSA-N 0 0 376.796 4.058 20 5 GIBDRN COc1ccc(Br)cc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186230429 822862838 /nfs/dbraw/zinc/86/28/38/822862838.db2.gz MOIVPYXQOFRWQM-UHFFFAOYSA-N 0 0 397.250 4.340 20 5 GIBDRN Cc1ccc(O)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000054141233 822864022 /nfs/dbraw/zinc/86/40/22/822864022.db2.gz BQLKBFILXURXNC-AWEZNQCLSA-N 0 0 392.415 4.429 20 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CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175192189 822901318 /nfs/dbraw/zinc/90/13/18/822901318.db2.gz HVKUQTZWQLZWRW-UHFFFAOYSA-N 0 0 384.175 4.082 20 5 GIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000175205360 822903888 /nfs/dbraw/zinc/90/38/88/822903888.db2.gz ZHBFVROOPLKSLV-UHFFFAOYSA-N 0 0 395.293 4.115 20 5 GIBDRN CNc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1[N+](=O)[O-] ZINC000054704304 822907046 /nfs/dbraw/zinc/90/70/46/822907046.db2.gz AFINBDIYTWCXKX-UHFFFAOYSA-N 0 0 391.431 4.089 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000054704706 822907068 /nfs/dbraw/zinc/90/70/68/822907068.db2.gz QELFHVXWZXMRPM-UHFFFAOYSA-N 0 0 392.415 4.056 20 5 GIBDRN CCCOCc1ccccc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000569339005 822909093 /nfs/dbraw/zinc/90/90/93/822909093.db2.gz YPHWAXGQIWUANM-OAQYLSRUSA-N 0 0 394.475 4.134 20 5 GIBDRN Nc1ccc(-c2noc(-c3ccnc(-c4ccc(Cl)cc4)n3)n2)cc1[N+](=O)[O-] ZINC000569387629 822914617 /nfs/dbraw/zinc/91/46/17/822914617.db2.gz CZXJJWQCZDDKHT-UHFFFAOYSA-N 0 0 394.778 4.004 20 5 GIBDRN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1=O ZINC000186569949 822915318 /nfs/dbraw/zinc/91/53/18/822915318.db2.gz QZRZLXFNUGXJSF-LBPRGKRZSA-N 0 0 388.807 4.092 20 5 GIBDRN COc1cc(F)c(F)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000569396974 822916570 /nfs/dbraw/zinc/91/65/70/822916570.db2.gz WJLXPMMMXPKMGG-UHFFFAOYSA-N 0 0 377.347 4.078 20 5 GIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175276869 822922209 /nfs/dbraw/zinc/92/22/09/822922209.db2.gz ZINGGHNYBZRPRZ-LBPRGKRZSA-N 0 0 396.365 4.325 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000054927346 822923147 /nfs/dbraw/zinc/92/31/47/822923147.db2.gz ARTWRNQOFPKBHG-MRXNPFEDSA-N 0 0 397.456 4.337 20 5 GIBDRN COCCN(C(=O)CCC1CCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000175282398 822923512 /nfs/dbraw/zinc/92/35/12/822923512.db2.gz SIVCMWOVRYTQRH-UHFFFAOYSA-N 0 0 389.477 4.278 20 5 GIBDRN Cc1ccc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000569508964 822931851 /nfs/dbraw/zinc/93/18/51/822931851.db2.gz SQCRIUNNBWOQMY-UHFFFAOYSA-N 0 0 382.214 4.231 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000569510108 822932119 /nfs/dbraw/zinc/93/21/19/822932119.db2.gz NDFPNBDXPYUPSX-NVXWUHKLSA-N 0 0 377.448 4.081 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000457912741 822933803 /nfs/dbraw/zinc/93/38/03/822933803.db2.gz HGEQOBKDMNYNDQ-JTQLQIEISA-N 0 0 377.491 4.143 20 5 GIBDRN CC(C)Oc1ccc(Cl)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000569559643 822939989 /nfs/dbraw/zinc/93/99/89/822939989.db2.gz ICJARVRDURLSPC-UHFFFAOYSA-N 0 0 389.839 4.037 20 5 GIBDRN CCSCc1cc(C(=O)Nc2cc(CC)nc3ccc([N+](=O)[O-])cc32)no1 ZINC000186701352 822940609 /nfs/dbraw/zinc/94/06/09/822940609.db2.gz BKABLHHFYOCMQS-UHFFFAOYSA-N 0 0 386.433 4.199 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000457956758 822943990 /nfs/dbraw/zinc/94/39/90/822943990.db2.gz YTGNBJCVDNVCIA-GFCCVEGCSA-N 0 0 381.354 4.150 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000457978285 822947082 /nfs/dbraw/zinc/94/70/82/822947082.db2.gz SOJYZCZSFLGGBK-IAGOWNOFSA-N 0 0 390.505 4.128 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCc1cccs1 ZINC000569629508 822947212 /nfs/dbraw/zinc/94/72/12/822947212.db2.gz KRFUACUWTSGBKQ-UHFFFAOYSA-N 0 0 383.267 4.090 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c1[N+](=O)[O-] ZINC000186735292 822947224 /nfs/dbraw/zinc/94/72/24/822947224.db2.gz PHXVHFUOZAPKNE-CYBMUJFWSA-N 0 0 396.472 4.302 20 5 GIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4n[nH]c5ccccc54)no3)cc21 ZINC000569649044 822949923 /nfs/dbraw/zinc/94/99/23/822949923.db2.gz UBFGLZJIQJSXKI-UHFFFAOYSA-N 0 0 379.379 4.275 20 5 GIBDRN COC1CCC(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000458059231 822954469 /nfs/dbraw/zinc/95/44/69/822954469.db2.gz HVXAMLFPHOQDKS-UHFFFAOYSA-N 0 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COc1ccc([C@@H](Cc2ccccc2)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000569799568 822970746 /nfs/dbraw/zinc/97/07/46/822970746.db2.gz RKAZZNQXLRUGON-HXUWFJFHSA-N 0 0 391.427 4.098 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055542219 822976285 /nfs/dbraw/zinc/97/62/85/822976285.db2.gz RBVWNDSSDXKTPD-UHFFFAOYSA-N 0 0 395.337 4.188 20 5 GIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC000186901584 822977033 /nfs/dbraw/zinc/97/70/33/822977033.db2.gz IJQVBSXCSOWRDW-AWEZNQCLSA-N 0 0 388.489 4.276 20 5 GIBDRN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000055561161 822979214 /nfs/dbraw/zinc/97/92/14/822979214.db2.gz ZWNZJNFRJJUCFF-UHFFFAOYSA-N 0 0 394.214 4.046 20 5 GIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccco1)Cc1cccs1 ZINC000569889834 822981218 /nfs/dbraw/zinc/98/12/18/822981218.db2.gz XJSUQZQTQCFQJP-UHFFFAOYSA-N 0 0 395.444 4.252 20 5 GIBDRN CC[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1nc(C)cs1 ZINC000458308610 822981525 /nfs/dbraw/zinc/98/15/25/822981525.db2.gz ITSCZDLUCAFIPY-NVXWUHKLSA-N 0 0 388.493 4.400 20 5 GIBDRN CCOc1cc(C)ccc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000055618173 822988216 /nfs/dbraw/zinc/98/82/16/822988216.db2.gz VJOKJZDDINHHIO-UHFFFAOYSA-N 0 0 396.346 4.164 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(F)cccc2Br)c1 ZINC000175533232 822992345 /nfs/dbraw/zinc/99/23/45/822992345.db2.gz KUZGOLRFAHYDIV-UHFFFAOYSA-N 0 0 385.214 4.471 20 5 GIBDRN O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000055649609 822992717 /nfs/dbraw/zinc/99/27/17/822992717.db2.gz KTDTYKHHZFTXKN-UHFFFAOYSA-N 0 0 397.818 4.152 20 5 GIBDRN O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175535803 822992753 /nfs/dbraw/zinc/99/27/53/822992753.db2.gz PTSJYRMOQHTCRO-UHFFFAOYSA-N 0 0 390.237 4.210 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC[C@H]2CCCO2)c1 ZINC000055652831 822993487 /nfs/dbraw/zinc/99/34/87/822993487.db2.gz RLMKBPYKKNOBFF-CQSZACIVSA-N 0 0 390.823 4.367 20 5 GIBDRN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000175549044 822995059 /nfs/dbraw/zinc/99/50/59/822995059.db2.gz WSVWFPBXICMNRD-UHFFFAOYSA-N 0 0 377.375 4.362 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4F)CC3)c2c1 ZINC000055681154 822998024 /nfs/dbraw/zinc/99/80/24/822998024.db2.gz UVPXZKOBSQSAGH-UHFFFAOYSA-N 0 0 397.406 4.244 20 5 GIBDRN COc1cccc(C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000187038165 823002232 /nfs/dbraw/zinc/00/22/32/823002232.db2.gz KDUMRKOTEUBEDV-UHFFFAOYSA-N 0 0 390.395 4.395 20 5 GIBDRN CCN(C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1ccccc1 ZINC000055721658 823003003 /nfs/dbraw/zinc/00/30/03/823003003.db2.gz TULRYMKSKAQXJB-UHFFFAOYSA-N 0 0 393.399 4.036 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2nccc3[nH]ccc32)no1 ZINC000570070496 823003028 /nfs/dbraw/zinc/00/30/28/823003028.db2.gz YVCHECAAFYMZHC-SECBINFHSA-N 0 0 385.767 4.315 20 5 GIBDRN CCSCC[C@H](C)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175590004 823003133 /nfs/dbraw/zinc/00/31/33/823003133.db2.gz JZRHSNAEPYCULL-LBPRGKRZSA-N 0 0 379.507 4.322 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000570073041 823003416 /nfs/dbraw/zinc/00/34/16/823003416.db2.gz ZIFNPAVBDCFJLS-DGCLKSJQSA-N 0 0 383.370 4.104 20 5 GIBDRN C[C@@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000175593355 823003640 /nfs/dbraw/zinc/00/36/40/823003640.db2.gz QYPFFUILFCEXAS-CQSZACIVSA-N 0 0 396.472 4.321 20 5 GIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000187066957 823005938 /nfs/dbraw/zinc/00/59/38/823005938.db2.gz GALSNCFMLYHAKG-KUHUBIRLSA-N 0 0 388.851 4.169 20 5 GIBDRN CCC(CC)(CCO)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000570145131 823010168 /nfs/dbraw/zinc/01/01/68/823010168.db2.gz XVLMBLGKCDOOAK-UHFFFAOYSA-N 0 0 387.436 4.450 20 5 GIBDRN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000570209290 823015447 /nfs/dbraw/zinc/01/54/47/823015447.db2.gz OVDGZDGXDSYAJT-SFHVURJKSA-N 0 0 386.835 4.072 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000570238392 823017698 /nfs/dbraw/zinc/01/76/98/823017698.db2.gz XNKBXVMVDGBKLT-OCCSQVGLSA-N 0 0 390.823 4.158 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000175683534 823019841 /nfs/dbraw/zinc/01/98/41/823019841.db2.gz PEAHAEPZLXSWGF-AWEZNQCLSA-N 0 0 377.400 4.156 20 5 GIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000175706464 823024397 /nfs/dbraw/zinc/02/43/97/823024397.db2.gz PZJPGXDIBJCSEP-VXGBXAGGSA-N 0 0 391.811 4.421 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000570311111 823024534 /nfs/dbraw/zinc/02/45/34/823024534.db2.gz QIDWVODOFVAFPZ-UHFFFAOYSA-N 0 0 391.265 4.373 20 5 GIBDRN CCOC(=O)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)(C)C ZINC000187214660 823025835 /nfs/dbraw/zinc/02/58/35/823025835.db2.gz MBPMBNPBYJOUQQ-UHFFFAOYSA-N 0 0 378.450 4.003 20 5 GIBDRN COc1ccc([C@@H](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000175737208 823029572 /nfs/dbraw/zinc/02/95/72/823029572.db2.gz OYCBSZKOWAAOIE-NSHDSACASA-N 0 0 380.347 4.337 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCc2cccc(OC(F)F)c21 ZINC000175767551 823035165 /nfs/dbraw/zinc/03/51/65/823035165.db2.gz JMJOUQFXNXLDDQ-UHFFFAOYSA-N 0 0 382.750 4.443 20 5 GIBDRN CN(CCc1cccc2ccccc21)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000570427876 823036754 /nfs/dbraw/zinc/03/67/54/823036754.db2.gz NHPOLIKOZQJAFU-UHFFFAOYSA-N 0 0 384.382 4.270 20 5 GIBDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000175779555 823038471 /nfs/dbraw/zinc/03/84/71/823038471.db2.gz APIBVFPWGOPTAX-DOMZBBRYSA-N 0 0 389.249 4.376 20 5 GIBDRN O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000570457390 823040616 /nfs/dbraw/zinc/04/06/16/823040616.db2.gz GCBIWTQRSSVKOI-INIZCTEOSA-N 0 0 380.322 4.375 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(C)c(F)c32)cc1SC ZINC000411094162 823544809 /nfs/dbraw/zinc/54/48/09/823544809.db2.gz FPMHVUPIZAZMTQ-UHFFFAOYSA-N 0 0 390.436 4.366 20 5 GIBDRN CC[C@H](NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000411146780 823551672 /nfs/dbraw/zinc/55/16/72/823551672.db2.gz XZPAUAHOGQICKM-HNNXBMFYSA-N 0 0 389.839 4.071 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000411154086 823552351 /nfs/dbraw/zinc/55/23/51/823552351.db2.gz KDTBSYQLJNMOLD-LJQANCHMSA-N 0 0 399.422 4.029 20 5 GIBDRN Cc1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1 ZINC000060738200 823554586 /nfs/dbraw/zinc/55/45/86/823554586.db2.gz JAEWSBZEUWDWRD-UHFFFAOYSA-N 0 0 380.356 4.276 20 5 GIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000060776893 823556735 /nfs/dbraw/zinc/55/67/35/823556735.db2.gz SKRKGNHXCUOADX-UHFFFAOYSA-N 0 0 399.838 4.206 20 5 GIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190266699 823557978 /nfs/dbraw/zinc/55/79/78/823557978.db2.gz XZTUUQFBHKSSJK-NRFANRHFSA-N 0 0 385.464 4.407 20 5 GIBDRN CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Cl)s1 ZINC000411234383 823559449 /nfs/dbraw/zinc/55/94/49/823559449.db2.gz FHHHVEAJZBUFIK-NSHDSACASA-N 0 0 395.868 4.133 20 5 GIBDRN COc1ccc(C(=O)C2CCN(CC=Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000124011395 823559824 /nfs/dbraw/zinc/55/98/24/823559824.db2.gz NCGULVZRPUKHLS-GQCTYLIASA-N 0 0 380.444 4.212 20 5 GIBDRN O=C(NCCC1=CCCC1)c1cc(C(=O)NCCC2=CCCC2)cc([N+](=O)[O-])c1 ZINC000461019767 823560079 /nfs/dbraw/zinc/56/00/79/823560079.db2.gz BHWIURJDGRHWJN-UHFFFAOYSA-N 0 0 397.475 4.055 20 5 GIBDRN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@@H]1C ZINC000461020472 823560281 /nfs/dbraw/zinc/56/02/81/823560281.db2.gz DSIARQSWCDJXLS-ZIAGYGMSSA-N 0 0 383.477 4.198 20 5 GIBDRN CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000411267495 823561051 /nfs/dbraw/zinc/56/10/51/823561051.db2.gz RUOJHTRXTPRYHT-FCEWJHQRSA-N 0 0 378.432 4.088 20 5 GIBDRN O=C(NCc1ccc(N2CCCCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000060845792 823561653 /nfs/dbraw/zinc/56/16/53/823561653.db2.gz QMEMUNOVTDHCEG-UHFFFAOYSA-N 0 0 396.472 4.125 20 5 GIBDRN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000124037309 823561668 /nfs/dbraw/zinc/56/16/68/823561668.db2.gz HZNJZQSMGHQZCG-LBPRGKRZSA-N 0 0 392.253 4.284 20 5 GIBDRN CCOc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC ZINC000060848046 823561891 /nfs/dbraw/zinc/56/18/91/823561891.db2.gz VYHFHSUYBMLFKT-UHFFFAOYSA-N 0 0 388.420 4.068 20 5 GIBDRN Cc1cc(NCC(=O)Nc2ccc(Cl)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861191 823562999 /nfs/dbraw/zinc/56/29/99/823562999.db2.gz MMPNCEFOZAIFOF-UHFFFAOYSA-N 0 0 397.822 4.064 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1F ZINC000411337945 823565196 /nfs/dbraw/zinc/56/51/96/823565196.db2.gz IYCKNABCXGFZKG-LLVKDONJSA-N 0 0 380.803 4.158 20 5 GIBDRN CC(C)N(CC1CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461049990 823565726 /nfs/dbraw/zinc/56/57/26/823565726.db2.gz CZIDXLFDHAEQSK-LJQANCHMSA-N 0 0 399.495 4.047 20 5 GIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCSc2ccc(F)cc21 ZINC000190435009 823573557 /nfs/dbraw/zinc/57/35/57/823573557.db2.gz CTJXZQPBFATTIN-UHFFFAOYSA-N 0 0 398.419 4.062 20 5 GIBDRN Cc1ccsc1CN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000061024030 823573861 /nfs/dbraw/zinc/57/38/61/823573861.db2.gz FCXALFMDYKGIBT-UHFFFAOYSA-N 0 0 388.367 4.178 20 5 GIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCSc2ccc(F)cc21 ZINC000190439270 823574131 /nfs/dbraw/zinc/57/41/31/823574131.db2.gz CYJDEDGDJYCNRG-UHFFFAOYSA-N 0 0 398.419 4.062 20 5 GIBDRN CCC(CC)n1ncc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1C ZINC000124169460 823574160 /nfs/dbraw/zinc/57/41/60/823574160.db2.gz IGUMWEROWGXWKD-UHFFFAOYSA-N 0 0 382.424 4.103 20 5 GIBDRN CCN(Cc1c[nH]c2ccccc12)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190469382 823578631 /nfs/dbraw/zinc/57/86/31/823578631.db2.gz PPINNWQDGNULAM-UHFFFAOYSA-N 0 0 377.404 4.148 20 5 GIBDRN Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000061135351 823579854 /nfs/dbraw/zinc/57/98/54/823579854.db2.gz QYCUEENUZZCLKM-UHFFFAOYSA-N 0 0 391.449 4.071 20 5 GIBDRN Cc1cccc(Cl)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000461113825 823580118 /nfs/dbraw/zinc/58/01/18/823580118.db2.gz NSGCTKHSTMOHQJ-UHFFFAOYSA-N 0 0 394.758 4.376 20 5 GIBDRN O=C(c1cccc(Br)c1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000190498097 823581374 /nfs/dbraw/zinc/58/13/74/823581374.db2.gz AOBUFQAVOLPHFY-UHFFFAOYSA-N 0 0 379.185 4.089 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000190502853 823581663 /nfs/dbraw/zinc/58/16/63/823581663.db2.gz GRGGKUVGSZXFJF-QGZVFWFLSA-N 0 0 395.459 4.209 20 5 GIBDRN CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000124258453 823581719 /nfs/dbraw/zinc/58/17/19/823581719.db2.gz DOOKWCKYVTUOHL-UHFFFAOYSA-N 0 0 375.356 4.191 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000061191952 823583302 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GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000121019313 823103874 /nfs/dbraw/zinc/10/38/74/823103874.db2.gz ZACANQDRBOYNNA-YGRLFVJLSA-N 0 0 380.828 4.395 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000187664792 823108852 /nfs/dbraw/zinc/10/88/52/823108852.db2.gz BCNSMLPGMYBEPM-UHFFFAOYSA-N 0 0 383.448 4.417 20 5 GIBDRN CC(C)c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n(-c2ncccn2)n1 ZINC000187662607 823108175 /nfs/dbraw/zinc/10/81/75/823108175.db2.gz QUJNOGNLCKGGQV-UHFFFAOYSA-N 0 0 394.435 4.070 20 5 GIBDRN CC(C)c1ncc(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000121069554 823112584 /nfs/dbraw/zinc/11/25/84/823112584.db2.gz BSZWFCWNAFQICN-UHFFFAOYSA-N 0 0 376.844 4.212 20 5 GIBDRN CC(C)c1ccc(-c2nc(-c3ccnc(-n4cccn4)c3)no2)cc1[N+](=O)[O-] ZINC000570969078 823113271 /nfs/dbraw/zinc/11/32/71/823113271.db2.gz QIZZJEBVCBBBBZ-UHFFFAOYSA-N 0 0 376.376 4.016 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121077520 823114329 /nfs/dbraw/zinc/11/43/29/823114329.db2.gz UIUNUGZYLARSDC-CQSZACIVSA-N 0 0 390.509 4.423 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000121103321 823119202 /nfs/dbraw/zinc/11/92/02/823119202.db2.gz XBOVZPDBIILYSF-QGZVFWFLSA-N 0 0 381.388 4.104 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000056260664 823114761 /nfs/dbraw/zinc/11/47/61/823114761.db2.gz XMMOCRHYNHOOSB-SFHVURJKSA-N 0 0 379.416 4.452 20 5 GIBDRN Cc1cc(OC[C@@H](O)COC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000570994779 823117351 /nfs/dbraw/zinc/11/73/51/823117351.db2.gz POZFVVWGWYICQG-HXUWFJFHSA-N 0 0 393.439 4.449 20 5 GIBDRN Cc1sc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000056275169 823119114 /nfs/dbraw/zinc/11/91/14/823119114.db2.gz SGMUBXVIXOJYOH-LBPRGKRZSA-N 0 0 396.852 4.428 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000056287857 823121798 /nfs/dbraw/zinc/12/17/98/823121798.db2.gz LABLRZDJHLTVKJ-OAQYLSRUSA-N 0 0 398.459 4.203 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000056288397 823121835 /nfs/dbraw/zinc/12/18/35/823121835.db2.gz LZASVXGVOCIPIC-YWZLYKJASA-N 0 0 395.459 4.240 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000056287969 823121849 /nfs/dbraw/zinc/12/18/49/823121849.db2.gz NDDNMTUEKKZRSX-UHFFFAOYSA-N 0 0 399.472 4.080 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000056313970 823126204 /nfs/dbraw/zinc/12/62/04/823126204.db2.gz DKAUQRYIMFJDED-UHFFFAOYSA-N 0 0 382.366 4.321 20 5 GIBDRN COc1cccnc1N(C)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000121151914 823128231 /nfs/dbraw/zinc/12/82/31/823128231.db2.gz UXKDOPXEPYDLIZ-UHFFFAOYSA-N 0 0 389.477 4.413 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121154890 823128810 /nfs/dbraw/zinc/12/88/10/823128810.db2.gz GZWFOPXODMTSJG-CYBMUJFWSA-N 0 0 376.482 4.115 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1c1nccs1 ZINC000121155380 823128825 /nfs/dbraw/zinc/12/88/25/823128825.db2.gz LTTIWNLIGQGFTI-CYBMUJFWSA-N 0 0 396.266 4.181 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1OC ZINC000187770467 823129655 /nfs/dbraw/zinc/12/96/55/823129655.db2.gz FPRLWHRQCMBLPO-IAGOWNOFSA-N 0 0 398.459 4.143 20 5 GIBDRN COCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1cccnc1 ZINC000571090378 823130901 /nfs/dbraw/zinc/13/09/01/823130901.db2.gz DAWXGMWBBZTARO-UHFFFAOYSA-N 0 0 383.473 4.367 20 5 GIBDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000056353673 823135345 /nfs/dbraw/zinc/13/53/45/823135345.db2.gz PTOCYYWURVNBNC-UHFFFAOYSA-N 0 0 398.419 4.010 20 5 GIBDRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000056348514 823132839 /nfs/dbraw/zinc/13/28/39/823132839.db2.gz HIUJOGURIJJZHC-CQSZACIVSA-N 0 0 390.823 4.448 20 5 GIBDRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056349723 823133689 /nfs/dbraw/zinc/13/36/89/823133689.db2.gz QQPRGWPVKMNHQP-CQSZACIVSA-N 0 0 390.823 4.448 20 5 GIBDRN CC(C)[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000056374063 823139135 /nfs/dbraw/zinc/13/91/35/823139135.db2.gz PJFSVSKFOVBFFK-VBKZILBWSA-N 0 0 399.447 4.124 20 5 GIBDRN CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000187817308 823139566 /nfs/dbraw/zinc/13/95/66/823139566.db2.gz QZTDGCZOSBEZNX-LOKFHWFJSA-N 0 0 388.489 4.289 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccsc3)CC2)cc1OC ZINC000187831126 823142262 /nfs/dbraw/zinc/14/22/62/823142262.db2.gz RYGATJRURKUMFH-UHFFFAOYSA-N 0 0 390.461 4.083 20 5 GIBDRN C[C@@H](NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056401727 823144041 /nfs/dbraw/zinc/14/40/41/823144041.db2.gz XJYUZHYIRZSEPH-GFCCVEGCSA-N 0 0 397.353 4.096 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000459245660 823151044 /nfs/dbraw/zinc/15/10/44/823151044.db2.gz NURZWWIUALCRKH-KRWDZBQOSA-N 0 0 384.480 4.321 20 5 GIBDRN Cc1ccc(-c2noc([C@H](c3ccccc3)N3CCSCC3)n2)cc1[N+](=O)[O-] ZINC000571202779 823147666 /nfs/dbraw/zinc/14/76/66/823147666.db2.gz NMGILUNXRLBRFV-SFHVURJKSA-N 0 0 396.472 4.091 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4ccc(F)cc4Cl)C3)nc2c1 ZINC000187867334 823149350 /nfs/dbraw/zinc/14/93/50/823149350.db2.gz WNKCPCLTJRBGNJ-KRWDZBQOSA-N 0 0 391.786 4.102 20 5 GIBDRN COc1ccc([C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000056459500 823154414 /nfs/dbraw/zinc/15/44/14/823154414.db2.gz OGBVFQROHQXQLG-OAQYLSRUSA-N 0 0 391.427 4.192 20 5 GIBDRN O=C(C[C@@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000176216515 823154612 /nfs/dbraw/zinc/15/46/12/823154612.db2.gz ZKYPCDIHTXFEHS-AWEZNQCLSA-N 0 0 390.486 4.012 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176217115 823154858 /nfs/dbraw/zinc/15/48/58/823154858.db2.gz GVQMPXFCSDDTLD-UHFFFAOYSA-N 0 0 396.428 4.253 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000176223763 823156799 /nfs/dbraw/zinc/15/67/99/823156799.db2.gz BSKQUOCJWRKRKS-KRWDZBQOSA-N 0 0 390.871 4.289 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000056516201 823160487 /nfs/dbraw/zinc/16/04/87/823160487.db2.gz NEEQWFXHTRXSJF-UHFFFAOYSA-N 0 0 394.431 4.496 20 5 GIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176242169 823161013 /nfs/dbraw/zinc/16/10/13/823161013.db2.gz YBUCJECAMNVFKB-APPDUMDISA-N 0 0 380.803 4.202 20 5 GIBDRN CCCCOc1cccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000121315836 823161955 /nfs/dbraw/zinc/16/19/55/823161955.db2.gz LIPRDLJIIFCTFD-UHFFFAOYSA-N 0 0 391.811 4.004 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000176282103 823171512 /nfs/dbraw/zinc/17/15/12/823171512.db2.gz QLAMHGMUPGLBDQ-UHFFFAOYSA-N 0 0 386.301 4.246 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1ccco1 ZINC000121412999 823180289 /nfs/dbraw/zinc/18/02/89/823180289.db2.gz DIPKKAXNGFNMES-CYBMUJFWSA-N 0 0 390.461 4.327 20 5 GIBDRN Cn1ccnc1[C@H](NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000571423651 823180697 /nfs/dbraw/zinc/18/06/97/823180697.db2.gz FDTRWSGXLOYXCJ-QGZVFWFLSA-N 0 0 390.365 4.226 20 5 GIBDRN O=C(NCc1cccc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000121423598 823181828 /nfs/dbraw/zinc/18/18/28/823181828.db2.gz OQEYPPBNUMMKOC-UHFFFAOYSA-N 0 0 389.455 4.281 20 5 GIBDRN CCSc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccn1 ZINC000188111247 823188044 /nfs/dbraw/zinc/18/80/44/823188044.db2.gz YLMZTUGSNZKMND-UHFFFAOYSA-N 0 0 388.493 4.222 20 5 GIBDRN CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1C ZINC000121487781 823193279 /nfs/dbraw/zinc/19/32/79/823193279.db2.gz ZRRAYEDLSLHQPQ-UHFFFAOYSA-N 0 0 398.444 4.427 20 5 GIBDRN Cc1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000176392401 823197337 /nfs/dbraw/zinc/19/73/37/823197337.db2.gz OKWFLCWOGKEDKN-LLVKDONJSA-N 0 0 386.795 4.098 20 5 GIBDRN COc1c(-c2nc(Cc3ccc(Br)cc3)no2)cccc1[N+](=O)[O-] ZINC000571563838 823201173 /nfs/dbraw/zinc/20/11/73/823201173.db2.gz PYRHCFRWWVWHQG-UHFFFAOYSA-N 0 0 390.193 4.007 20 5 GIBDRN Cc1c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000176398510 823199433 /nfs/dbraw/zinc/19/94/33/823199433.db2.gz ONHDLMFKWQOLAX-NSHDSACASA-N 0 0 386.795 4.098 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000056726774 823200917 /nfs/dbraw/zinc/20/09/17/823200917.db2.gz SXCQFLKMBFUVHA-CRAIPNDOSA-N 0 0 399.447 4.425 20 5 GIBDRN Cc1ocnc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000121567409 823207548 /nfs/dbraw/zinc/20/75/48/823207548.db2.gz QJOVYLYQEUPTJM-UHFFFAOYSA-N 0 0 387.779 4.376 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Nc2cccc(COCC3CC3)c2)cccc1[N+](=O)[O-] ZINC000121572248 823208589 /nfs/dbraw/zinc/20/85/89/823208589.db2.gz VTOLFUIVYHGYGL-HNNXBMFYSA-N 0 0 383.448 4.269 20 5 GIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121600348 823214038 /nfs/dbraw/zinc/21/40/38/823214038.db2.gz YYUINVLVHAJWPW-UHFFFAOYSA-N 0 0 389.333 4.434 20 5 GIBDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000176499497 823222135 /nfs/dbraw/zinc/22/21/35/823222135.db2.gz AWPNPDFVEDTTKZ-UHFFFAOYSA-N 0 0 386.496 4.048 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000121657286 823224196 /nfs/dbraw/zinc/22/41/96/823224196.db2.gz JSPHNCBFTHZVIS-CQSZACIVSA-N 0 0 384.432 4.053 20 5 GIBDRN CCc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000121678657 823229080 /nfs/dbraw/zinc/22/90/80/823229080.db2.gz LMPYQSFQGOPOQW-HXUWFJFHSA-N 0 0 379.391 4.211 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCSCc1ccccc1 ZINC000121690386 823231133 /nfs/dbraw/zinc/23/11/33/823231133.db2.gz AVBCJNJCORGMGM-UHFFFAOYSA-N 0 0 381.457 4.142 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000056996553 823239080 /nfs/dbraw/zinc/23/90/80/823239080.db2.gz SKALOMXPYYVACO-UHFFFAOYSA-N 0 0 389.433 4.276 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000176578724 823240863 /nfs/dbraw/zinc/24/08/63/823240863.db2.gz DALZZNXBFYOZOL-FXAWDEMLSA-N 0 0 397.475 4.007 20 5 GIBDRN Cc1coc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000188438297 823241067 /nfs/dbraw/zinc/24/10/67/823241067.db2.gz XCBKVHYKGDRXMJ-QMMMGPOBSA-N 0 0 375.328 4.029 20 5 GIBDRN COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1SC ZINC000459655515 823241175 /nfs/dbraw/zinc/24/11/75/823241175.db2.gz DMENWXZBQOUYLV-UHFFFAOYSA-N 0 0 375.450 4.032 20 5 GIBDRN COc1ccc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1[N+](=O)[O-] ZINC000188479744 823247553 /nfs/dbraw/zinc/24/75/53/823247553.db2.gz IEKXVNMBILFNIN-UHFFFAOYSA-N 0 0 395.415 4.073 20 5 GIBDRN COc1ccc(C)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000121781502 823249811 /nfs/dbraw/zinc/24/98/11/823249811.db2.gz IKULINRETKIIJW-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)nc1-c1ccccc1 ZINC000176626533 823252160 /nfs/dbraw/zinc/25/21/60/823252160.db2.gz AZNLQZKXOZMAAS-UHFFFAOYSA-N 0 0 381.457 4.308 20 5 GIBDRN COc1cc(OCC(=O)N[C@H](C)c2ccc(F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000571913556 823253224 /nfs/dbraw/zinc/25/32/24/823253224.db2.gz XKVQBMVUFZRQRF-CYBMUJFWSA-N 0 0 398.390 4.152 20 5 GIBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000176638828 823255038 /nfs/dbraw/zinc/25/50/38/823255038.db2.gz QVWCEGUUINOFPD-LBPRGKRZSA-N 0 0 386.882 4.144 20 5 GIBDRN COc1ccc(C2(CNc3ccc([N+](=O)[O-])c4cnccc34)CCOCC2)cc1 ZINC000057149949 823255357 /nfs/dbraw/zinc/25/53/57/823255357.db2.gz HSXWNEVEUBHYOX-UHFFFAOYSA-N 0 0 393.443 4.312 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000001981636 817378697 /nfs/dbraw/zinc/37/86/97/817378697.db2.gz BPNAHCARGWMBMO-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000571952982 823259419 /nfs/dbraw/zinc/25/94/19/823259419.db2.gz OKTVKFGCAQUDHT-INIZCTEOSA-N 0 0 377.876 4.022 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000121833151 823259620 /nfs/dbraw/zinc/25/96/20/823259620.db2.gz VMBDWHSROOKGPP-UONOGXRCSA-N 0 0 391.221 4.108 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1SC ZINC000121848448 823262024 /nfs/dbraw/zinc/26/20/24/823262024.db2.gz OZOHFZIHKDNQAI-OAHLLOKOSA-N 0 0 386.473 4.173 20 5 GIBDRN Cc1c2ccccc2oc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003321172 817436108 /nfs/dbraw/zinc/43/61/08/817436108.db2.gz GVJQVFAFJKYMGM-UHFFFAOYSA-N 0 0 388.763 4.098 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003369690 817443435 /nfs/dbraw/zinc/44/34/35/817443435.db2.gz OUZHJKQWBYNVIN-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n2)c1 ZINC000121853732 823263610 /nfs/dbraw/zinc/26/36/10/823263610.db2.gz 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Cc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000003495223 817469270 /nfs/dbraw/zinc/46/92/70/817469270.db2.gz YFMRVRHSXYOHIX-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000003511574 817474977 /nfs/dbraw/zinc/47/49/77/817474977.db2.gz KRVHTXPNLHWIRT-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN O=C(O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000003537516 817481090 /nfs/dbraw/zinc/48/10/90/817481090.db2.gz AAVNVSAUGZTIIB-HXUWFJFHSA-N 0 0 390.351 4.450 20 5 GIBDRN COc1cc(OC)c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000459874440 823269448 /nfs/dbraw/zinc/26/94/48/823269448.db2.gz YCAWFRIMISVPEP-UHFFFAOYSA-N 0 0 378.812 4.182 20 5 GIBDRN COc1ccc(-c2ccc(CNc3cccc([S@@](C)=O)c3)o2)c([N+](=O)[O-])c1 ZINC000121877160 823268360 /nfs/dbraw/zinc/26/83/60/823268360.db2.gz CHUQFHOICHGZOU-MHZLTWQESA-N 0 0 386.429 4.213 20 5 GIBDRN CC(=O)Nc1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000121881899 823269585 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GIBDRN C[C@@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011482137 818086524 /nfs/dbraw/zinc/08/65/24/818086524.db2.gz FOZSLMVQYZNCPY-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000011645351 818103861 /nfs/dbraw/zinc/10/38/61/818103861.db2.gz SSMLVMISVFFNCG-UHFFFAOYSA-N 0 0 399.790 4.453 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2ccc(C)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000011703488 818110238 /nfs/dbraw/zinc/11/02/38/818110238.db2.gz NIKNRTATNIFLMR-UHFFFAOYSA-N 0 0 397.353 4.371 20 5 GIBDRN CCN(Cc1cccs1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000011706938 818110851 /nfs/dbraw/zinc/11/08/51/818110851.db2.gz OEIXGJFZWYQIFP-UHFFFAOYSA-N 0 0 398.488 4.180 20 5 GIBDRN NC(=O)N[C@@H](CC(=O)OCc1nc2ccccc2c2ccccc12)c1ccccc1 ZINC000011939997 818130700 /nfs/dbraw/zinc/13/07/00/818130700.db2.gz DAEZOPNQSBUEFU-NRFANRHFSA-N 0 0 399.450 4.231 20 5 GIBDRN CCOc1c(Cl)cc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000011964932 818132901 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Cc1cccc(C(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cccc(C)c2)c1 ZINC000176885802 823317615 /nfs/dbraw/zinc/31/76/15/823317615.db2.gz WLJSXMOCLUPVKX-UHFFFAOYSA-N 0 0 389.455 4.190 20 5 GIBDRN COCCCOc1ccc(Nc2ccc([N+](=O)[O-])c3cccnc23)cc1OC ZINC000572311149 823317941 /nfs/dbraw/zinc/31/79/41/823317941.db2.gz ILXFRYOWELVJFC-UHFFFAOYSA-N 0 0 383.404 4.311 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012935457 818195374 /nfs/dbraw/zinc/19/53/74/818195374.db2.gz WBHIYBWEHXOQSN-HXUWFJFHSA-N 0 0 390.395 4.440 20 5 GIBDRN CCn1c(Cc2ccccc2F)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460217493 823320756 /nfs/dbraw/zinc/32/07/56/823320756.db2.gz AJELLPNIMMDXNG-UHFFFAOYSA-N 0 0 395.438 4.105 20 5 GIBDRN CC[NH+](CC)Cc1ccccc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013298779 818209376 /nfs/dbraw/zinc/20/93/76/818209376.db2.gz PPQGHMIAYOHJIK-ZRDIBKRKSA-N 0 0 383.448 4.147 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000013619090 818213847 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GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022446404 818807694 /nfs/dbraw/zinc/80/76/94/818807694.db2.gz FSNNUBOQOHZGPU-CYBMUJFWSA-N 0 0 396.355 4.164 20 5 GIBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000022444412 818807893 /nfs/dbraw/zinc/80/78/93/818807893.db2.gz MRKOHEMOTSDFKI-LSDHHAIUSA-N 0 0 392.411 4.171 20 5 GIBDRN O=C(c1cc(-c2ccccc2)on1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460365754 823365112 /nfs/dbraw/zinc/36/51/12/823365112.db2.gz WJKYPNDPINQUKQ-IBGZPJMESA-N 0 0 381.413 4.138 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000022468229 818811015 /nfs/dbraw/zinc/81/10/15/818811015.db2.gz OIXKRKACHWMDDI-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000022480190 818813965 /nfs/dbraw/zinc/81/39/65/818813965.db2.gz PLRWSTBVQGCMGM-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN CCCCSc1nnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000022490022 818815957 /nfs/dbraw/zinc/81/59/57/818815957.db2.gz XPFQOQGIWDYCGK-UHFFFAOYSA-N 0 0 398.535 4.378 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000022495596 818817665 /nfs/dbraw/zinc/81/76/65/818817665.db2.gz LIKKSHHSMPLYJX-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN CSc1cccc(F)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000409995289 823365904 /nfs/dbraw/zinc/36/59/04/823365904.db2.gz YQLHTLGJKOLQNY-UHFFFAOYSA-N 0 0 388.342 4.405 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000022554235 818825340 /nfs/dbraw/zinc/82/53/40/818825340.db2.gz OASGSKLIZQZEJX-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000022668516 818839346 /nfs/dbraw/zinc/83/93/46/818839346.db2.gz PZJDHDHYHDJSMW-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000022736475 818853821 /nfs/dbraw/zinc/85/38/21/818853821.db2.gz XBQXSIPVPRUNKP-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000022736476 818853964 /nfs/dbraw/zinc/85/39/64/818853964.db2.gz XBQXSIPVPRUNKP-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000022792080 818861341 /nfs/dbraw/zinc/86/13/41/818861341.db2.gz DDWZXXXJQJGWDI-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000022793634 818861901 /nfs/dbraw/zinc/86/19/01/818861901.db2.gz NAOZUFVEMHMRCE-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000022793641 818862017 /nfs/dbraw/zinc/86/20/17/818862017.db2.gz NAOZUFVEMHMRCE-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN O=[N+]([O-])c1cc(COc2ccc(OCC3CC3)c(Cl)c2)c2c(c1)COCO2 ZINC000572613010 823369379 /nfs/dbraw/zinc/36/93/79/823369379.db2.gz YRDOUCUKSQCNDC-UHFFFAOYSA-N 0 0 391.807 4.483 20 5 GIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000022911678 818875578 /nfs/dbraw/zinc/87/55/78/818875578.db2.gz MZECCXKSMUUXNB-KGLIPLIRSA-N 0 0 396.399 4.072 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCOC1CCCCC1 ZINC000022976363 818882634 /nfs/dbraw/zinc/88/26/34/818882634.db2.gz CTOUDRYREGHDSG-UHFFFAOYSA-N 0 0 392.499 4.010 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000460382598 823370655 /nfs/dbraw/zinc/37/06/55/823370655.db2.gz BYEQVIBSEOIUEH-VLIAUNLRSA-N 0 0 380.400 4.252 20 5 GIBDRN COc1cccc([C@H](C)CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000177105275 823372534 /nfs/dbraw/zinc/37/25/34/823372534.db2.gz LSMRDXZSPDQCHC-CYBMUJFWSA-N 0 0 376.840 4.409 20 5 GIBDRN Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000460392054 823373924 /nfs/dbraw/zinc/37/39/24/823373924.db2.gz WTCUKWOXQCMVIT-OXQOHEQNSA-N 0 0 382.460 4.169 20 5 GIBDRN CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000410028266 823374185 /nfs/dbraw/zinc/37/41/85/823374185.db2.gz DAJUNXNWGOOGRM-HNNXBMFYSA-N 0 0 384.436 4.256 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000023344507 818924865 /nfs/dbraw/zinc/92/48/65/818924865.db2.gz QSYDYRGEJFJZOY-CHWSQXEVSA-N 0 0 398.440 4.232 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000023344321 818924885 /nfs/dbraw/zinc/92/48/85/818924885.db2.gz YMQUKIHFRGWQHJ-JTQLQIEISA-N 0 0 382.825 4.111 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]4CCC[C@H]43)cc2[N+](=O)[O-])C1 ZINC000460394075 823374909 /nfs/dbraw/zinc/37/49/09/823374909.db2.gz LSQLZNZULFLZBD-SFNKJDCFSA-N 0 0 385.508 4.482 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000572652953 823375955 /nfs/dbraw/zinc/37/59/55/823375955.db2.gz VOTSWKJSALHMHO-UHFFFAOYSA-N 0 0 399.447 4.241 20 5 GIBDRN COc1cc(F)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000572655666 823376425 /nfs/dbraw/zinc/37/64/25/823376425.db2.gz MNCQBKIKOJIQTO-UHFFFAOYSA-N 0 0 376.237 4.153 20 5 GIBDRN Cn1c(=O)c2c(-c3ccccc3)csc2nc1Sc1ccc([N+](=O)[O-])cn1 ZINC000023608821 818964657 /nfs/dbraw/zinc/96/46/57/818964657.db2.gz VIAAIWZAFBHMKH-UHFFFAOYSA-N 0 0 396.453 4.116 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)nc1 ZINC000023615934 818965114 /nfs/dbraw/zinc/96/51/14/818965114.db2.gz NUVROIFIGJABEE-UHFFFAOYSA-N 0 0 379.401 4.041 20 5 GIBDRN COc1cccc(-n2c(NC(=O)c3cccc([N+](=O)[O-])c3)nc3ccccc32)c1 ZINC000460405445 823378197 /nfs/dbraw/zinc/37/81/97/823378197.db2.gz WVHLRRJTWBUYAX-UHFFFAOYSA-N 0 0 388.383 4.195 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000460407601 823379053 /nfs/dbraw/zinc/37/90/53/823379053.db2.gz AKVNDZCQWKPBDP-VFNWGFHPSA-N 0 0 395.459 4.080 20 5 GIBDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000460408325 823379378 /nfs/dbraw/zinc/37/93/78/823379378.db2.gz BIWSQEOYNSNWON-QGZVFWFLSA-N 0 0 386.448 4.014 20 5 GIBDRN Cc1ccccc1O[C@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460423202 823384449 /nfs/dbraw/zinc/38/44/49/823384449.db2.gz WRYDNCBMRHMNDD-CQSZACIVSA-N 0 0 397.456 4.224 20 5 GIBDRN CCOc1cc2c(cc1CNc1ccc([N+](=O)[O-])c3cccnc13)O[C@H](C)C2 ZINC000024059426 819017110 /nfs/dbraw/zinc/01/71/10/819017110.db2.gz QEFAGQJYAGITJW-CYBMUJFWSA-N 0 0 379.416 4.477 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000024155088 819028384 /nfs/dbraw/zinc/02/83/84/819028384.db2.gz UIAXHVFAQBZKQI-HNNXBMFYSA-N 0 0 392.411 4.169 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000572676132 823380721 /nfs/dbraw/zinc/38/07/21/823380721.db2.gz OCGNZTZZDPPCRI-KRWDZBQOSA-N 0 0 388.851 4.387 20 5 GIBDRN Cc1ccc2c(COC(=O)CSc3ccccc3[N+](=O)[O-])cc(=O)oc2c1C ZINC000024199460 819032733 /nfs/dbraw/zinc/03/27/33/819032733.db2.gz LLNMJDXEKWDMFE-UHFFFAOYSA-N 0 0 399.424 4.154 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000024221505 819036630 /nfs/dbraw/zinc/03/66/30/819036630.db2.gz XWJBIDFIPRBUEQ-UHFFFAOYSA-N 0 0 376.825 4.334 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000122627473 823384067 /nfs/dbraw/zinc/38/40/67/823384067.db2.gz VBESGPANKZWROP-CQSZACIVSA-N 0 0 395.390 4.199 20 5 GIBDRN COc1cc(C(=O)Nc2nc3c(s2)c(C)ccc3C)c([N+](=O)[O-])cc1OC ZINC000024553485 819071073 /nfs/dbraw/zinc/07/10/73/819071073.db2.gz NVOUNLOGJJGBTR-UHFFFAOYSA-N 0 0 387.417 4.091 20 5 GIBDRN CC[C@@H](C)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000410077109 823385394 /nfs/dbraw/zinc/38/53/94/823385394.db2.gz JDCHYDKLLPIVMZ-BFUOFWGJSA-N 0 0 398.488 4.467 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1cccc(Cl)c1Cl ZINC000058398437 823385921 /nfs/dbraw/zinc/38/59/21/823385921.db2.gz OBCUNMRGCRKPRQ-UHFFFAOYSA-N 0 0 396.274 4.453 20 5 GIBDRN CC1(c2ccccc2)CC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000410082830 823386353 /nfs/dbraw/zinc/38/63/53/823386353.db2.gz NQZAQSFHPWPKOT-UHFFFAOYSA-N 0 0 379.460 4.045 20 5 GIBDRN CCn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc2ccccc21 ZINC000058445805 823392291 /nfs/dbraw/zinc/39/22/91/823392291.db2.gz AWFGCQSRXDBLLS-UHFFFAOYSA-N 0 0 375.331 4.423 20 5 GIBDRN CSc1ccc(C(=O)NC[C@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000460449426 823393122 /nfs/dbraw/zinc/39/31/22/823393122.db2.gz PLQRSCNMYFMQDQ-NSHDSACASA-N 0 0 380.853 4.167 20 5 GIBDRN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Cl ZINC000460452389 823394132 /nfs/dbraw/zinc/39/41/32/823394132.db2.gz GXWWNJXPRDFMBF-LLVKDONJSA-N 0 0 383.231 4.028 20 5 GIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(Cc2cccc(F)c2)CC1 ZINC000058456202 823394547 /nfs/dbraw/zinc/39/45/47/823394547.db2.gz ABHWTXXPHKKRKY-UHFFFAOYSA-N 0 0 381.407 4.310 20 5 GIBDRN O=C(NCc1ccccc1OC1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058496218 823399976 /nfs/dbraw/zinc/39/99/76/823399976.db2.gz YDLOEDQKLIELTL-UHFFFAOYSA-N 0 0 379.416 4.328 20 5 GIBDRN 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C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000177441629 823462811 /nfs/dbraw/zinc/46/28/11/823462811.db2.gz PNYWCCQEYFCFRB-HNNXBMFYSA-N 0 0 376.416 4.217 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000027376132 820234250 /nfs/dbraw/zinc/23/42/50/820234250.db2.gz HMCASNQVXUKQHE-HNNXBMFYSA-N 0 0 395.415 4.155 20 5 GIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027568188 820259674 /nfs/dbraw/zinc/25/96/74/820259674.db2.gz LUHCAVOJJDKPHQ-AWEZNQCLSA-N 0 0 388.851 4.454 20 5 GIBDRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027802386 820287347 /nfs/dbraw/zinc/28/73/47/820287347.db2.gz IPMLWYGEMIBWEB-UHFFFAOYSA-N 0 0 388.685 4.248 20 5 GIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000027896703 820294974 /nfs/dbraw/zinc/29/49/74/820294974.db2.gz NUKBOUVDIRCEEX-QGZVFWFLSA-N 0 0 389.455 4.267 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000123138938 823468622 /nfs/dbraw/zinc/46/86/22/823468622.db2.gz YJRMZEKWEISKEZ-JTQLQIEISA-N 0 0 378.454 4.240 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000028044091 820307593 /nfs/dbraw/zinc/30/75/93/820307593.db2.gz JQMZLKRANMIVOC-CQSZACIVSA-N 0 0 378.450 4.423 20 5 GIBDRN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000028266194 820321740 /nfs/dbraw/zinc/32/17/40/820321740.db2.gz BAXBUYQAUZXWSF-LBPRGKRZSA-N 0 0 385.449 4.067 20 5 GIBDRN COc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000028276950 820322220 /nfs/dbraw/zinc/32/22/20/820322220.db2.gz QEYVPVZNJWSMRJ-UHFFFAOYSA-N 0 0 393.237 4.246 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000028328678 820325092 /nfs/dbraw/zinc/32/50/92/820325092.db2.gz PZGLIYZTYDPEQJ-LIRRHRJNSA-N 0 0 386.473 4.448 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000028328672 820325169 /nfs/dbraw/zinc/32/51/69/820325169.db2.gz PZGLIYZTYDPEQJ-AUUYWEPGSA-N 0 0 386.473 4.448 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000028424780 820335361 /nfs/dbraw/zinc/33/53/61/820335361.db2.gz IGMWLFDLHDEDOI-KBPBESRZSA-N 0 0 396.399 4.072 20 5 GIBDRN Cc1ccc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)sc2c1 ZINC000028490401 820339707 /nfs/dbraw/zinc/33/97/07/820339707.db2.gz XGKVFDMGHGMPMC-UHFFFAOYSA-N 0 0 393.428 4.015 20 5 GIBDRN Cc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000028518094 820343314 /nfs/dbraw/zinc/34/33/14/820343314.db2.gz VFTINNHRGCDAMY-MRXNPFEDSA-N 0 0 384.432 4.023 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000123162155 823472364 /nfs/dbraw/zinc/47/23/64/823472364.db2.gz VVTXQDCIHGPDGV-AWEZNQCLSA-N 0 0 384.436 4.086 20 5 GIBDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000028802219 820359680 /nfs/dbraw/zinc/35/96/80/820359680.db2.gz HCSCBYSBXGKYLN-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000028855586 820364377 /nfs/dbraw/zinc/36/43/77/820364377.db2.gz OWYXLJZSWJCHDU-SNVBAGLBSA-N 0 0 393.852 4.326 20 5 GIBDRN Cc1sc(NC(=O)COc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000028979127 820379504 /nfs/dbraw/zinc/37/95/04/820379504.db2.gz NALRNSWBTCSFDY-UHFFFAOYSA-N 0 0 387.392 4.183 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCCCC1 ZINC000460676582 823475438 /nfs/dbraw/zinc/47/54/38/823475438.db2.gz MLBLQIBELWPUGR-UHFFFAOYSA-N 0 0 387.484 4.049 20 5 GIBDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000029251351 820419211 /nfs/dbraw/zinc/41/92/11/820419211.db2.gz NTSULPZDQWXVFP-UHFFFAOYSA-N 0 0 383.404 4.145 20 5 GIBDRN CC1(C)C[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2O1 ZINC000573303765 823478799 /nfs/dbraw/zinc/47/87/99/823478799.db2.gz CVHUUTQKMGQEMK-GOSISDBHSA-N 0 0 393.443 4.080 20 5 GIBDRN O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1Cc1ccccc1[N+](=O)[O-] ZINC000029466154 820458628 /nfs/dbraw/zinc/45/86/28/820458628.db2.gz DMEPPCKTZFRSHP-UHFFFAOYSA-N 0 0 393.349 4.298 20 5 GIBDRN CNc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000029482245 820461824 /nfs/dbraw/zinc/46/18/24/820461824.db2.gz LCZILQPDUPDHJD-UHFFFAOYSA-N 0 0 397.412 4.170 20 5 GIBDRN Cc1nc(CCNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cs1 ZINC000029499577 820463931 /nfs/dbraw/zinc/46/39/31/820463931.db2.gz RNEHQUXHSOVHSB-UHFFFAOYSA-N 0 0 393.534 4.470 20 5 GIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCC[C@@H]1C ZINC000460689848 823481083 /nfs/dbraw/zinc/48/10/83/823481083.db2.gz KXBHHQCBBDHJLE-INIZCTEOSA-N 0 0 387.484 4.049 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCCC1 ZINC000177537621 823485354 /nfs/dbraw/zinc/48/53/54/823485354.db2.gz DVBBCQXXUDOYOS-UHFFFAOYSA-N 0 0 385.386 4.142 20 5 GIBDRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000029888283 820539997 /nfs/dbraw/zinc/53/99/97/820539997.db2.gz KOXVYEYWOJYBFJ-UHFFFAOYSA-N 0 0 397.431 4.074 20 5 GIBDRN Cc1ccc(-c2ncco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000123268901 823488153 /nfs/dbraw/zinc/48/81/53/823488153.db2.gz LCYYYMODUCRSFD-UHFFFAOYSA-N 0 0 392.415 4.411 20 5 GIBDRN CCCC(=O)Nc1cccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000573523084 823494100 /nfs/dbraw/zinc/49/41/00/823494100.db2.gz BXUJZECQZXRCRW-UHFFFAOYSA-N 0 0 382.342 4.359 20 5 GIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000030271847 820593292 /nfs/dbraw/zinc/59/32/92/820593292.db2.gz RHZKXTOBIKWRHS-CYBMUJFWSA-N 0 0 383.448 4.342 20 5 GIBDRN COc1cc2nc(C)sc2cc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410431389 823495446 /nfs/dbraw/zinc/49/54/46/823495446.db2.gz HCWGTPHMVWOKEV-UHFFFAOYSA-N 0 0 385.445 4.438 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000030284919 820595655 /nfs/dbraw/zinc/59/56/55/820595655.db2.gz CBRPOIRCLGUUEA-MRXNPFEDSA-N 0 0 396.428 4.039 20 5 GIBDRN Cc1sc(C(=O)N=c2[nH]c3ccccc3n2C2CCCCC2)cc1[N+](=O)[O-] ZINC000059309851 823491139 /nfs/dbraw/zinc/49/11/39/823491139.db2.gz YZDUCMCPFJUQDG-UHFFFAOYSA-N 0 0 384.461 4.494 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030426692 820616590 /nfs/dbraw/zinc/61/65/90/820616590.db2.gz OEASODVCHFTPSK-GFCCVEGCSA-N 0 0 386.882 4.008 20 5 GIBDRN Cc1c(C(=O)N(CCC(C)C)CCC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000030469159 820618629 /nfs/dbraw/zinc/61/86/29/820618629.db2.gz NPYPZGMUSJZDBD-UHFFFAOYSA-N 0 0 387.484 4.018 20 5 GIBDRN CC[C@@H]1CCc2nc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)sc2C1 ZINC000059318000 823491536 /nfs/dbraw/zinc/49/15/36/823491536.db2.gz XRDGOHNYRKTKNY-GFCCVEGCSA-N 0 0 397.460 4.004 20 5 GIBDRN CCCCOc1ccc(OC)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030523540 820630809 /nfs/dbraw/zinc/63/08/09/820630809.db2.gz UYRVNIMZDLKMQM-AWEZNQCLSA-N 0 0 387.436 4.221 20 5 GIBDRN CC(C)N(CC(F)F)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000123296055 823492363 /nfs/dbraw/zinc/49/23/63/823492363.db2.gz ZPMVAJTYLBJVFF-ZDUSSCGKSA-N 0 0 392.406 4.279 20 5 GIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C)O[C@H](C)C2 ZINC000410423731 823493254 /nfs/dbraw/zinc/49/32/54/823493254.db2.gz SCJQDUJJZHZUIL-SKDZVZGDSA-N 0 0 396.443 4.368 20 5 GIBDRN O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000410423532 823493417 /nfs/dbraw/zinc/49/34/17/823493417.db2.gz OMGNFIYUKNUBGC-UHFFFAOYSA-N 0 0 393.790 4.234 20 5 GIBDRN Cc1cc(=O)oc2cc(OCCOc3ccccc3[N+](=O)[O-])c(Cl)cc12 ZINC000059408104 823495547 /nfs/dbraw/zinc/49/55/47/823495547.db2.gz RREVTAYYZCASOJ-UHFFFAOYSA-N 0 0 375.764 4.121 20 5 GIBDRN COC(=O)c1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1Cl ZINC000031056779 820730011 /nfs/dbraw/zinc/73/00/11/820730011.db2.gz QXQYROHXBYBSCA-UHFFFAOYSA-N 0 0 380.809 4.009 20 5 GIBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Br ZINC000177628068 823503818 /nfs/dbraw/zinc/50/38/18/823503818.db2.gz ZYCNAXKEHCEJAU-LBPRGKRZSA-N 0 0 395.175 4.208 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000031095495 820739621 /nfs/dbraw/zinc/73/96/21/820739621.db2.gz FSGCTEJYVNIDDT-JTQLQIEISA-N 0 0 394.225 4.249 20 5 GIBDRN Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000060012675 823504735 /nfs/dbraw/zinc/50/47/35/823504735.db2.gz NQTALQDZPRSMFI-GFCCVEGCSA-N 0 0 382.338 4.119 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000460745311 823502586 /nfs/dbraw/zinc/50/25/86/823502586.db2.gz AXKZUAZOQFRXIA-QXMHVHEDSA-N 0 0 375.388 4.109 20 5 GIBDRN CC(C)N(CC(F)F)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000123375771 823502891 /nfs/dbraw/zinc/50/28/91/823502891.db2.gz VCUNVAQNXCTOEG-UHFFFAOYSA-N 0 0 377.391 4.323 20 5 GIBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(CC1CCC1)CC(F)(F)F ZINC000410546911 823503438 /nfs/dbraw/zinc/50/34/38/823503438.db2.gz NMLNLQQOVQFGMN-UHFFFAOYSA-N 0 0 384.276 4.418 20 5 GIBDRN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177626348 823503640 /nfs/dbraw/zinc/50/36/40/823503640.db2.gz WXQJHZSUBGOYTR-UHFFFAOYSA-N 0 0 382.763 4.408 20 5 GIBDRN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc([N+](=O)[O-])cc1Cl ZINC000177626633 823503665 /nfs/dbraw/zinc/50/36/65/823503665.db2.gz ANEKDFPZOHCTDQ-UHFFFAOYSA-N 0 0 382.763 4.408 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1SC ZINC000177653470 823507669 /nfs/dbraw/zinc/50/76/69/823507669.db2.gz UTGPZXHFKAQXOP-AWEZNQCLSA-N 0 0 392.399 4.176 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000031553560 820825585 /nfs/dbraw/zinc/82/55/85/820825585.db2.gz RVHIHTVMHRYPBI-UHFFFAOYSA-N 0 0 379.210 4.073 20 5 GIBDRN Cn1c2ccccc2nc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000060098050 823507925 /nfs/dbraw/zinc/50/79/25/823507925.db2.gz VEMGKTWMWPNKIS-HXUWFJFHSA-N 0 0 386.411 4.001 20 5 GIBDRN COC(=O)c1ccc(OCc2csc(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000031652937 820839616 /nfs/dbraw/zinc/83/96/16/820839616.db2.gz JONTZAOXZNEBPY-UHFFFAOYSA-N 0 0 384.413 4.008 20 5 GIBDRN CC(C)[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)N(C)C ZINC000060107295 823508841 /nfs/dbraw/zinc/50/88/41/823508841.db2.gz BTFKVCPNEXVBEP-GOSISDBHSA-N 0 0 378.501 4.241 20 5 GIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460778383 823509860 /nfs/dbraw/zinc/50/98/60/823509860.db2.gz LMJWBSQSASZFPY-SJORKVTESA-N 0 0 394.258 4.233 20 5 GIBDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000410705213 823510104 /nfs/dbraw/zinc/51/01/04/823510104.db2.gz USDOCVVPDANJCG-MEDUHNTESA-N 0 0 379.338 4.232 20 5 GIBDRN Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000031872637 820868439 /nfs/dbraw/zinc/86/84/39/820868439.db2.gz KBOKSFZXKPBHBR-UHFFFAOYSA-N 0 0 392.202 4.043 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2cc(Cl)ccc21 ZINC000031926019 820875677 /nfs/dbraw/zinc/87/56/77/820875677.db2.gz KLZBTQZNBIOLKR-UHFFFAOYSA-N 0 0 399.878 4.444 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C ZINC000177684564 823513338 /nfs/dbraw/zinc/51/33/38/823513338.db2.gz GGILJFSTEWHSBS-UHFFFAOYSA-N 0 0 392.839 4.362 20 5 GIBDRN CC(C)(COCc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410817149 823516419 /nfs/dbraw/zinc/51/64/19/823516419.db2.gz HYBMHWFQVWESTE-UHFFFAOYSA-N 0 0 396.365 4.339 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC(F)F)c1 ZINC000123519029 823516756 /nfs/dbraw/zinc/51/67/56/823516756.db2.gz CHTCYZSCBDYFAF-NSHDSACASA-N 0 0 387.342 4.235 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032470603 820952287 /nfs/dbraw/zinc/95/22/87/820952287.db2.gz NCIMQXHTXITJFQ-UHFFFAOYSA-N 0 0 394.880 4.125 20 5 GIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1C ZINC000032478542 820955624 /nfs/dbraw/zinc/95/56/24/820955624.db2.gz ANZZGCRPDLYYBR-UHFFFAOYSA-N 0 0 396.184 4.069 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000032496473 820961458 /nfs/dbraw/zinc/96/14/58/820961458.db2.gz HFPOIYBUACMHKN-VIFPVBQESA-N 0 0 380.809 4.096 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-] ZINC000032516415 820963771 /nfs/dbraw/zinc/96/37/71/820963771.db2.gz QKLWLBNPEWLZSM-UHFFFAOYSA-N 0 0 395.415 4.155 20 5 GIBDRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000032517168 820963960 /nfs/dbraw/zinc/96/39/60/820963960.db2.gz YZDZYHHHBFOSGN-GDBMZVCRSA-N 0 0 395.459 4.408 20 5 GIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032638958 820982188 /nfs/dbraw/zinc/98/21/88/820982188.db2.gz BUAOPAUVGZWGFA-KRWDZBQOSA-N 0 0 396.834 4.411 20 5 GIBDRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000032676703 820988257 /nfs/dbraw/zinc/98/82/57/820988257.db2.gz WIGYEVOMVCISFF-HNNXBMFYSA-N 0 0 377.400 4.060 20 5 GIBDRN O=[N+]([O-])c1cc(CSCCOc2cccc(Cl)c2)c2c(c1)COCO2 ZINC000032793985 821008440 /nfs/dbraw/zinc/00/84/40/821008440.db2.gz JGQWCCAWWZUIHM-UHFFFAOYSA-N 0 0 381.837 4.427 20 5 GIBDRN CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000410897289 823521567 /nfs/dbraw/zinc/52/15/67/823521567.db2.gz QRDQUVUAVRBEPV-OAHLLOKOSA-N 0 0 379.338 4.232 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032856980 821014121 /nfs/dbraw/zinc/01/41/21/821014121.db2.gz KHVCKLFCHZEIKM-INIZCTEOSA-N 0 0 397.412 4.006 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000410898961 823521687 /nfs/dbraw/zinc/52/16/87/823521687.db2.gz YEPWFCSRXMMEFC-OAHLLOKOSA-N 0 0 379.338 4.232 20 5 GIBDRN CCN(Cc1ccc(Cl)s1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032941141 821021190 /nfs/dbraw/zinc/02/11/90/821021190.db2.gz JSBSMOBAFRRHRU-UHFFFAOYSA-N 0 0 390.852 4.158 20 5 GIBDRN CCn1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccn1 ZINC000123587562 823524043 /nfs/dbraw/zinc/52/40/43/823524043.db2.gz QZABLCRSTGQOMO-UHFFFAOYSA-N 0 0 375.841 4.214 20 5 GIBDRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCc1cccnc1 ZINC000033176650 821043256 /nfs/dbraw/zinc/04/32/56/821043256.db2.gz OPXGMOHZYQUFQK-UHFFFAOYSA-N 0 0 393.399 4.138 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1OC ZINC000033214634 821048160 /nfs/dbraw/zinc/04/81/60/821048160.db2.gz JAMSFXDVNLIYKS-UHFFFAOYSA-N 0 0 397.387 4.273 20 5 GIBDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000033220520 821050293 /nfs/dbraw/zinc/05/02/93/821050293.db2.gz HAQANCMCWSDWQS-ZDUSSCGKSA-N 0 0 376.372 4.018 20 5 GIBDRN CCc1ccc2nc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)sc2c1 ZINC000033227286 821051224 /nfs/dbraw/zinc/05/12/24/821051224.db2.gz HOXLGJXZVBBXHG-UHFFFAOYSA-N 0 0 393.428 4.205 20 5 GIBDRN CC[C@@H](NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000177806344 823528296 /nfs/dbraw/zinc/52/82/96/823528296.db2.gz BCFUDVYKFJZZNN-NHCUHLMSSA-N 0 0 393.443 4.126 20 5 GIBDRN C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000460850837 823528347 /nfs/dbraw/zinc/52/83/47/823528347.db2.gz GJEFBYZRFHUSDE-NSHDSACASA-N 0 0 399.344 4.085 20 5 GIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1C(F)(F)F ZINC000038318783 821095088 /nfs/dbraw/zinc/09/50/88/821095088.db2.gz QIWYVNUDTFLKOC-CYBMUJFWSA-N 0 0 379.338 4.110 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000123626671 823527037 /nfs/dbraw/zinc/52/70/37/823527037.db2.gz NDGDDBMVBDCQDY-AEFFLSMTSA-N 0 0 392.814 4.116 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000123626242 823527048 /nfs/dbraw/zinc/52/70/48/823527048.db2.gz NDGDDBMVBDCQDY-WMZOPIPTSA-N 0 0 392.814 4.116 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H]2CCCCN2c2ccccc21 ZINC000410993700 823530360 /nfs/dbraw/zinc/53/03/60/823530360.db2.gz AHYUTQAVCDINIU-OAHLLOKOSA-N 0 0 388.427 4.162 20 5 GIBDRN COc1ccc(N(Cc2ccccc2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000040112552 821140240 /nfs/dbraw/zinc/14/02/40/821140240.db2.gz AEEGNMHMTWRXAC-UHFFFAOYSA-N 0 0 392.411 4.216 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cc(Br)cnc2Cl)cc1[N+](=O)[O-] ZINC000177835720 823533760 /nfs/dbraw/zinc/53/37/60/823533760.db2.gz PWNLUNGDXWAGQL-VIFPVBQESA-N 0 0 398.644 4.205 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c1 ZINC000411015449 823533866 /nfs/dbraw/zinc/53/38/66/823533866.db2.gz QLWLIUWCPWVZOF-OAHLLOKOSA-N 0 0 381.432 4.013 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000041239163 821179583 /nfs/dbraw/zinc/17/95/83/821179583.db2.gz QXIFJNLNBIWEQD-KRWDZBQOSA-N 0 0 389.839 4.009 20 5 GIBDRN COc1cc(C(=O)Nc2nc(-c3ccccc3C)cs2)c([N+](=O)[O-])cc1OC ZINC000041316109 821182508 /nfs/dbraw/zinc/18/25/08/821182508.db2.gz XLCMQUMBPUSJPB-UHFFFAOYSA-N 0 0 399.428 4.296 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000177852651 823536594 /nfs/dbraw/zinc/53/65/94/823536594.db2.gz YSESQSWOULNULE-ZDUSSCGKSA-N 0 0 392.415 4.322 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)CCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000177860667 823537551 /nfs/dbraw/zinc/53/75/51/823537551.db2.gz FWKZYDOFPGRSQX-CYBMUJFWSA-N 0 0 378.375 4.315 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000411069199 823541043 /nfs/dbraw/zinc/54/10/43/823541043.db2.gz FTMKOJUMMUNOSK-UHFFFAOYSA-N 0 0 388.851 4.078 20 5 GIBDRN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)c1cccc(OC)c1 ZINC000041815017 821232718 /nfs/dbraw/zinc/23/27/18/821232718.db2.gz IUOWZBCWAQVZLN-OAHLLOKOSA-N 0 0 394.431 4.012 20 5 GIBDRN O=C(NC1(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411053451 823538224 /nfs/dbraw/zinc/53/82/24/823538224.db2.gz RNIZLLBBMLHRNF-UHFFFAOYSA-N 0 0 382.313 4.258 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177864370 823538354 /nfs/dbraw/zinc/53/83/54/823538354.db2.gz COXCWRYQTIHISJ-QVKFZJNVSA-N 0 0 393.443 4.045 20 5 GIBDRN CC(C)Oc1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000060529973 823538710 /nfs/dbraw/zinc/53/87/10/823538710.db2.gz NRGFWCVNEFJPDT-VIFPVBQESA-N 0 0 393.450 4.137 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000177874061 823539505 /nfs/dbraw/zinc/53/95/05/823539505.db2.gz ONOJDBSZVYVRDV-HNNXBMFYSA-N 0 0 394.431 4.153 20 5 GIBDRN O=C(NCc1csc(Br)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042079710 821261659 /nfs/dbraw/zinc/26/16/59/821261659.db2.gz ZWJDJVDZSONDKS-UHFFFAOYSA-N 0 0 375.631 4.002 20 5 GIBDRN COc1cc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])ccc1OC(C)C ZINC000042100101 821265470 /nfs/dbraw/zinc/26/54/70/821265470.db2.gz NQLGISGHUOTRPI-LLVKDONJSA-N 0 0 376.438 4.273 20 5 GIBDRN C[C@H](Cc1nnc(SCCOc2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000042151967 821275001 /nfs/dbraw/zinc/27/50/01/821275001.db2.gz HCVMEBBSPQUVEH-CQSZACIVSA-N 0 0 385.445 4.495 20 5 GIBDRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC000042173347 821277648 /nfs/dbraw/zinc/27/76/48/821277648.db2.gz MNMYYKBMKJXKAE-SNVBAGLBSA-N 0 0 385.367 4.436 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042510556 821309329 /nfs/dbraw/zinc/30/93/29/821309329.db2.gz MMDZNRKPRAAWRN-QRWLVFNGSA-N 0 0 379.416 4.202 20 5 GIBDRN O=C(CSc1ncc(-c2ccc(F)cc2)o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042605565 821313426 /nfs/dbraw/zinc/31/34/26/821313426.db2.gz ZBUVVHXCZGOYPS-UHFFFAOYSA-N 0 0 399.403 4.070 20 5 GIBDRN Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000042715170 821327024 /nfs/dbraw/zinc/32/70/24/821327024.db2.gz QGCYGDXNBOIXLY-UHFFFAOYSA-N 0 0 387.823 4.045 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1COc2ccc(Cl)cc2C1 ZINC000042918259 821344381 /nfs/dbraw/zinc/34/43/81/821344381.db2.gz SMJWKMBIIAUKFA-SNVBAGLBSA-N 0 0 398.749 4.039 20 5 GIBDRN CC(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000042918084 821344416 /nfs/dbraw/zinc/34/44/16/821344416.db2.gz NDNARJJJUDFYGU-UHFFFAOYSA-N 0 0 393.346 4.043 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000043149704 821368943 /nfs/dbraw/zinc/36/89/43/821368943.db2.gz LAXDOISTJYMMDF-QGZVFWFLSA-N 0 0 383.404 4.043 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000180632835 821375932 /nfs/dbraw/zinc/37/59/32/821375932.db2.gz UIGGVHZFSWVGHX-UHFFFAOYSA-N 0 0 381.363 4.147 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000180642657 821379419 /nfs/dbraw/zinc/37/94/19/821379419.db2.gz XHFNGKFMNWBGQE-UHFFFAOYSA-N 0 0 385.420 4.431 20 5 GIBDRN Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1Br ZINC000043260460 821381995 /nfs/dbraw/zinc/38/19/95/821381995.db2.gz JRKMRPJGTQCFKH-UHFFFAOYSA-N 0 0 378.226 4.330 20 5 GIBDRN Cc1cccn2cc(-c3ccc(NC(=O)c4c(N)cccc4[N+](=O)[O-])cc3)nc12 ZINC000180668724 821389017 /nfs/dbraw/zinc/38/90/17/821389017.db2.gz JFMZXSHDQIATJY-UHFFFAOYSA-N 0 0 387.399 4.052 20 5 GIBDRN CC[C@@H](C)Oc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000180670752 821389738 /nfs/dbraw/zinc/38/97/38/821389738.db2.gz UTFIBXNCWNLMCV-OAHLLOKOSA-N 0 0 398.463 4.041 20 5 GIBDRN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341675 821395095 /nfs/dbraw/zinc/39/50/95/821395095.db2.gz QOCMBQZANVHYDS-UHFFFAOYSA-N 0 0 397.218 4.004 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccccc2)CC1 ZINC000043341854 821395381 /nfs/dbraw/zinc/39/53/81/821395381.db2.gz FPAVDVMRLAENTA-UHFFFAOYSA-N 0 0 387.823 4.375 20 5 GIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341919 821395399 /nfs/dbraw/zinc/39/53/99/821395399.db2.gz HTLDSHXDMSVGCG-UHFFFAOYSA-N 0 0 393.827 4.319 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000043342458 821395448 /nfs/dbraw/zinc/39/54/48/821395448.db2.gz ASFYREFIEZRMQG-UHFFFAOYSA-N 0 0 397.822 4.446 20 5 GIBDRN Cc1c(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000043347212 821395923 /nfs/dbraw/zinc/39/59/23/821395923.db2.gz BROKOXBTMKJJQV-CQSZACIVSA-N 0 0 380.404 4.456 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000044048221 821511187 /nfs/dbraw/zinc/51/11/87/821511187.db2.gz ZATAFLYLEXDZDR-OAHLLOKOSA-N 0 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O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000181026332 821600152 /nfs/dbraw/zinc/60/01/52/821600152.db2.gz CQNJMTSXZJXLTK-HOTGVXAUSA-N 0 0 399.205 4.301 20 5 GIBDRN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000044540189 821602270 /nfs/dbraw/zinc/60/22/70/821602270.db2.gz DEOVJQUHZJNPON-UHFFFAOYSA-N 0 0 375.356 4.098 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](Nc2ccc(N3CCOCC3)cn2)c2ccccc2)c1 ZINC000181072282 821618509 /nfs/dbraw/zinc/61/85/09/821618509.db2.gz WWDWWPJCGSHTCH-QFIPXVFZSA-N 0 0 390.443 4.028 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000044631710 821630571 /nfs/dbraw/zinc/63/05/71/821630571.db2.gz MGUSYBCYQDOHMJ-UHFFFAOYSA-N 0 0 381.432 4.493 20 5 GIBDRN CN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044631578 821630591 /nfs/dbraw/zinc/63/05/91/821630591.db2.gz LELFRKRWXDYXCQ-UHFFFAOYSA-N 0 0 389.658 4.344 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000044664933 821641198 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C[C@@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000183243184 822447591 /nfs/dbraw/zinc/44/75/91/822447591.db2.gz SMDBEQUVHPHSSC-ADLMAVQZSA-N 0 0 398.394 4.204 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)c1ccncc1 ZINC000183257312 822449271 /nfs/dbraw/zinc/44/92/71/822449271.db2.gz GBFQIIITLJOBEU-UHFFFAOYSA-N 0 0 386.411 4.247 20 5 GIBDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046223628 822451891 /nfs/dbraw/zinc/45/18/91/822451891.db2.gz ORSWKKHLKBFXFL-UHFFFAOYSA-N 0 0 389.477 4.222 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnccc1Oc1ccccc1 ZINC000179229163 822454241 /nfs/dbraw/zinc/45/42/41/822454241.db2.gz IKWPXLPMBKXMFU-UHFFFAOYSA-N 0 0 388.383 4.445 20 5 GIBDRN COc1cc(C)c([C@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000454327008 822458193 /nfs/dbraw/zinc/45/81/93/822458193.db2.gz NKNIFVZCWYSOPG-KBPBESRZSA-N 0 0 387.436 4.042 20 5 GIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000454350654 822460900 /nfs/dbraw/zinc/46/09/00/822460900.db2.gz NTJBAMIONWYMOT-GJZGRUSLSA-N 0 0 398.463 4.140 20 5 GIBDRN CCCOc1cc(NC(=O)N2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCCC ZINC000454357560 822461476 /nfs/dbraw/zinc/46/14/76/822461476.db2.gz IZCMNOYHSAETOY-ZDUSSCGKSA-N 0 0 397.497 4.142 20 5 GIBDRN CCCOc1cc(NC(=O)N2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCCC ZINC000454358768 822461520 /nfs/dbraw/zinc/46/15/20/822461520.db2.gz LBJMUPPGBKVFSF-HNNXBMFYSA-N 0 0 377.441 4.189 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000454361375 822461944 /nfs/dbraw/zinc/46/19/44/822461944.db2.gz MLBIPQLNACNBNE-LKFCYVNXSA-N 0 0 379.338 4.060 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000454369276 822463451 /nfs/dbraw/zinc/46/34/51/822463451.db2.gz SFAXHDWIKLJHSK-KPZWWZAWSA-N 0 0 375.375 4.481 20 5 GIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454377800 822465276 /nfs/dbraw/zinc/46/52/76/822465276.db2.gz CSQLFDLZVMHDDR-HNNXBMFYSA-N 0 0 396.447 4.022 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000179324897 822466277 /nfs/dbraw/zinc/46/62/77/822466277.db2.gz ARRBKDZOGJYZRF-UHFFFAOYSA-N 0 0 382.388 4.238 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000046370559 822466793 /nfs/dbraw/zinc/46/67/93/822466793.db2.gz DFGQNYIMYYZKOD-IBGZPJMESA-N 0 0 381.819 4.471 20 5 GIBDRN C[C@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000454470293 822480491 /nfs/dbraw/zinc/48/04/91/822480491.db2.gz YABZOVCFUNEVCJ-RYUDHWBXSA-N 0 0 376.482 4.470 20 5 GIBDRN CCN(Cc1cccs1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000046562244 822486268 /nfs/dbraw/zinc/48/62/68/822486268.db2.gz IEJCCZOYXVFKKB-UHFFFAOYSA-N 0 0 376.481 4.265 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454523912 822491262 /nfs/dbraw/zinc/49/12/62/822491262.db2.gz YFNOFIPNTUKXOJ-OAGGEKHMSA-N 0 0 398.463 4.091 20 5 GIBDRN COc1ccc([C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000183551088 822493589 /nfs/dbraw/zinc/49/35/89/822493589.db2.gz PXZNLERVVYRMAU-LJQANCHMSA-N 0 0 396.378 4.049 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000046625846 822494878 /nfs/dbraw/zinc/49/48/78/822494878.db2.gz FZZAHVVLEXNXFD-IBGZPJMESA-N 0 0 397.450 4.181 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000046652088 822499085 /nfs/dbraw/zinc/49/90/85/822499085.db2.gz HHWRPTWCGKBJQQ-UHFFFAOYSA-N 0 0 383.448 4.418 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccnc(Oc2ccccc2)c1 ZINC000046659664 822500107 /nfs/dbraw/zinc/50/01/07/822500107.db2.gz PKOPCGLQVWWIQI-UHFFFAOYSA-N 0 0 395.440 4.191 20 5 GIBDRN CC(C)(C)c1ncc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000454595973 822503342 /nfs/dbraw/zinc/50/33/42/822503342.db2.gz DEJBSMQPTBNPJX-HNNXBMFYSA-N 0 0 383.452 4.094 20 5 GIBDRN CNc1nc(C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000454601335 822504139 /nfs/dbraw/zinc/50/41/39/822504139.db2.gz SSZPUVORAPLPIJ-VIFPVBQESA-N 0 0 383.235 4.172 20 5 GIBDRN Cc1cccc(O)c1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000179565817 822504535 /nfs/dbraw/zinc/50/45/35/822504535.db2.gz HHOFSMIWMIEUAA-CQSZACIVSA-N 0 0 392.415 4.429 20 5 GIBDRN Cc1ncc(-c2ccc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])cc2)o1 ZINC000046694240 822506437 /nfs/dbraw/zinc/50/64/37/822506437.db2.gz MCEYBXIXZODPRH-UHFFFAOYSA-N 0 0 381.388 4.274 20 5 GIBDRN Cc1cc(NC(=O)Cc2csc(-c3ccoc3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183688113 822511537 /nfs/dbraw/zinc/51/15/37/822511537.db2.gz RUFWJLWSLWMSGO-UHFFFAOYSA-N 0 0 394.412 4.349 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000179622625 822514583 /nfs/dbraw/zinc/51/45/83/822514583.db2.gz NCOXQEZPHPCAFV-UHFFFAOYSA-N 0 0 398.488 4.288 20 5 GIBDRN C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000454687710 822517297 /nfs/dbraw/zinc/51/72/97/822517297.db2.gz FTQRMRUJICOWJC-BLLLJJGKSA-N 0 0 381.354 4.129 20 5 GIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000183734621 822518865 /nfs/dbraw/zinc/51/88/65/822518865.db2.gz GWLJSRYFIFNHCY-QUCCMNQESA-N 0 0 391.512 4.499 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2cc(Br)ccc2o1 ZINC000046863666 822525123 /nfs/dbraw/zinc/52/51/23/822525123.db2.gz GYCYLTMWUXONFZ-UHFFFAOYSA-N 0 0 389.205 4.376 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2)o1 ZINC000179677939 822525190 /nfs/dbraw/zinc/52/51/90/822525190.db2.gz LYSIJWAMAJQYSC-UHFFFAOYSA-N 0 0 380.404 4.385 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000046885154 822526717 /nfs/dbraw/zinc/52/67/17/822526717.db2.gz GVXVMGOQFPWQCI-UHFFFAOYSA-N 0 0 381.432 4.338 20 5 GIBDRN Cc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000046894647 822527498 /nfs/dbraw/zinc/52/74/98/822527498.db2.gz FVXFXEQGUOBYCI-UHFFFAOYSA-N 0 0 398.369 4.108 20 5 GIBDRN CC(C)(C)[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000046896193 822527750 /nfs/dbraw/zinc/52/77/50/822527750.db2.gz QXNXNSJWCZEIJN-FQEVSTJZSA-N 0 0 396.491 4.214 20 5 GIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183797393 822529296 /nfs/dbraw/zinc/52/92/96/822529296.db2.gz KFQNBBBIEPGPSU-ZDUSSCGKSA-N 0 0 394.884 4.044 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCc2cccc(O)c21 ZINC000183845724 822535238 /nfs/dbraw/zinc/53/52/38/822535238.db2.gz YFVDPGYNEFHLSG-UHFFFAOYSA-N 0 0 378.837 4.025 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000046986905 822535867 /nfs/dbraw/zinc/53/58/67/822535867.db2.gz HJDHNJYSOPIORR-JTQLQIEISA-N 0 0 388.811 4.016 20 5 GIBDRN CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000454823817 822541145 /nfs/dbraw/zinc/54/11/45/822541145.db2.gz YZSZSJZMNHVRAA-WSTZPKSXSA-N 0 0 389.496 4.078 20 5 GIBDRN COc1cc(OC)cc(-c2nnc(SCc3csc([N+](=O)[O-])c3)o2)c1 ZINC000047171627 822550568 /nfs/dbraw/zinc/55/05/68/822550568.db2.gz KVVDTVORSWDOKV-UHFFFAOYSA-N 0 0 379.419 4.016 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000047171331 822550602 /nfs/dbraw/zinc/55/06/02/822550602.db2.gz MYZMRGATMZHYEE-JTQLQIEISA-N 0 0 375.431 4.431 20 5 GIBDRN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)C1CCOCC1 ZINC000179798246 822554739 /nfs/dbraw/zinc/55/47/39/822554739.db2.gz CVYICBSIDQULBS-UHFFFAOYSA-N 0 0 377.469 4.124 20 5 GIBDRN O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000047254728 822558998 /nfs/dbraw/zinc/55/89/98/822558998.db2.gz DDGYDXSTGDWZGF-UHFFFAOYSA-N 0 0 395.246 4.152 20 5 GIBDRN C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000454935242 822559935 /nfs/dbraw/zinc/55/99/35/822559935.db2.gz QYBUMSRAUFRIQV-SFNKJDCFSA-N 0 0 389.496 4.078 20 5 GIBDRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000047277644 822561402 /nfs/dbraw/zinc/56/14/02/822561402.db2.gz BOPQOALSHCLDHU-UHFFFAOYSA-N 0 0 392.459 4.470 20 5 GIBDRN COc1cc(CNc2cc(NC(=O)C(C)C)ccc2C)c([N+](=O)[O-])cc1F ZINC000184003873 822562110 /nfs/dbraw/zinc/56/21/10/822562110.db2.gz HQFLEVRGDHHBFQ-UHFFFAOYSA-N 0 0 375.400 4.258 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000184012383 822563753 /nfs/dbraw/zinc/56/37/53/822563753.db2.gz CZDAYIYEGWGANO-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN CN(CC1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000179877988 822569908 /nfs/dbraw/zinc/56/99/08/822569908.db2.gz GESHLGBLFUMLJF-UHFFFAOYSA-N 0 0 386.473 4.245 20 5 GIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(Cc3ccccc3)n2)c1 ZINC000047354640 822570284 /nfs/dbraw/zinc/57/02/84/822570284.db2.gz FEIPHZPCBVJIKT-UHFFFAOYSA-N 0 0 384.413 4.008 20 5 GIBDRN O=C(c1ccccc1)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179880554 822570688 /nfs/dbraw/zinc/57/06/88/822570688.db2.gz LQDXFTWLYJHVOZ-UHFFFAOYSA-N 0 0 390.386 4.291 20 5 GIBDRN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047420545 822578079 /nfs/dbraw/zinc/57/80/79/822578079.db2.gz MQDAOLYHALWUBW-UHFFFAOYSA-N 0 0 387.823 4.173 20 5 GIBDRN CC[C@@H](NC(=O)NCCc1cc(C(F)(F)F)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000455040016 822578139 /nfs/dbraw/zinc/57/81/39/822578139.db2.gz WJDUNKMEMNJXKQ-MRXNPFEDSA-N 0 0 396.369 4.002 20 5 GIBDRN COc1cc(COc2cccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000179947883 822583270 /nfs/dbraw/zinc/58/32/70/822583270.db2.gz KADBXHJRJMOHCD-UHFFFAOYSA-N 0 0 394.252 4.198 20 5 GIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047488905 822583509 /nfs/dbraw/zinc/58/35/09/822583509.db2.gz INPMBUPVDKPNCZ-OAHLLOKOSA-N 0 0 396.447 4.022 20 5 GIBDRN CCOc1cccc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1[N+](=O)[O-] ZINC000184141238 822584774 /nfs/dbraw/zinc/58/47/74/822584774.db2.gz CJOSTIFBULTVFQ-KRWDZBQOSA-N 0 0 394.374 4.173 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047506860 822585304 /nfs/dbraw/zinc/58/53/04/822585304.db2.gz KDGIMVSDEIWLCZ-IFXJQAMLSA-N 0 0 385.420 4.035 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000455089012 822587514 /nfs/dbraw/zinc/58/75/14/822587514.db2.gz CHFFDXPHJFRKQB-KXBFYZLASA-N 0 0 399.447 4.038 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455090945 822587709 /nfs/dbraw/zinc/58/77/09/822587709.db2.gz HEBPMTDBGHRFKD-UGSOOPFHSA-N 0 0 389.839 4.092 20 5 GIBDRN COc1ccc(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000455095110 822588249 /nfs/dbraw/zinc/58/82/49/822588249.db2.gz FHBRLYGLWOMRBA-ZDUSSCGKSA-N 0 0 375.812 4.278 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000455101538 822589045 /nfs/dbraw/zinc/58/90/45/822589045.db2.gz YPMRWODTEZNJON-INIZCTEOSA-N 0 0 395.459 4.269 20 5 GIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455102514 822589287 /nfs/dbraw/zinc/58/92/87/822589287.db2.gz IYRPVXHRYFSABK-UGSOOPFHSA-N 0 0 391.855 4.338 20 5 GIBDRN COC(=O)c1cc2cc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000047547589 822589469 /nfs/dbraw/zinc/58/94/69/822589469.db2.gz UZISRAKLWCOCPI-NSHDSACASA-N 0 0 383.360 4.010 20 5 GIBDRN Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc1C ZINC000047558447 822590633 /nfs/dbraw/zinc/59/06/33/822590633.db2.gz FPDDFEQTKPUNLU-VIFPVBQESA-N 0 0 389.355 4.338 20 5 GIBDRN CC(C)COC[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000184176497 822591222 /nfs/dbraw/zinc/59/12/22/822591222.db2.gz XPQZHQOFVBJKEA-GOSISDBHSA-N 0 0 385.420 4.346 20 5 GIBDRN CN(Cc1nc2ccccc2s1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179988295 822591582 /nfs/dbraw/zinc/59/15/82/822591582.db2.gz TVHKDYKPGALPCH-UHFFFAOYSA-N 0 0 393.371 4.078 20 5 GIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])c(NC)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000455130692 822593979 /nfs/dbraw/zinc/59/39/79/822593979.db2.gz DEWXFTQDPKEANT-LLVKDONJSA-N 0 0 396.369 4.274 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047585871 822594063 /nfs/dbraw/zinc/59/40/63/822594063.db2.gz KYUJGTKJELYTMW-HNNXBMFYSA-N 0 0 392.415 4.452 20 5 GIBDRN C[C@@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047585873 822594065 /nfs/dbraw/zinc/59/40/65/822594065.db2.gz KYUJGTKJELYTMW-OAHLLOKOSA-N 0 0 392.415 4.452 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000455142279 822595971 /nfs/dbraw/zinc/59/59/71/822595971.db2.gz OOWNLRZJMGUUHT-CZUORRHYSA-N 0 0 375.450 4.315 20 5 GIBDRN COc1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000455155466 822598548 /nfs/dbraw/zinc/59/85/48/822598548.db2.gz KVRWCQVSZYNUHM-UHFFFAOYSA-N 0 0 387.436 4.447 20 5 GIBDRN CC(=O)N(c1nnc(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1)C1CC1 ZINC000180026180 822599696 /nfs/dbraw/zinc/59/96/96/822599696.db2.gz NAYDDLOOLBDUQK-JTQLQIEISA-N 0 0 378.479 4.123 20 5 GIBDRN Cc1c(NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000047707047 822601601 /nfs/dbraw/zinc/60/16/01/822601601.db2.gz HLEXQYRINRUYOL-CYBMUJFWSA-N 0 0 397.435 4.070 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000180042695 822603079 /nfs/dbraw/zinc/60/30/79/822603079.db2.gz ODNRBENOERIOAB-SNVBAGLBSA-N 0 0 384.358 4.021 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2ccnc(N3CCCC3)c2)c2ccccc2)c1 ZINC000180065128 822607515 /nfs/dbraw/zinc/60/75/15/822607515.db2.gz BUTVUTXCDBMULH-QHCPKHFHSA-N 0 0 388.471 4.469 20 5 GIBDRN C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000455207843 822609025 /nfs/dbraw/zinc/60/90/25/822609025.db2.gz LWRWBGXXTYEZMF-YOEHRIQHSA-N 0 0 383.452 4.174 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000184294789 822610188 /nfs/dbraw/zinc/61/01/88/822610188.db2.gz WXSOCUUBBXEDBX-AVYPCKFXSA-N 0 0 386.423 4.134 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000047810679 822611691 /nfs/dbraw/zinc/61/16/91/822611691.db2.gz AYNBICPDMAJDFM-XHSDSOJGSA-N 0 0 398.463 4.091 20 5 GIBDRN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Cl ZINC000184308896 822612194 /nfs/dbraw/zinc/61/21/94/822612194.db2.gz LKLDAOMUBOTHFJ-NEPJUHHUSA-N 0 0 380.803 4.075 20 5 GIBDRN C[C@H](C(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184319056 822613884 /nfs/dbraw/zinc/61/38/84/822613884.db2.gz YPXBFQWWAGVRLF-GJZGRUSLSA-N 0 0 388.464 4.478 20 5 GIBDRN C[C@@H]1c2ccsc2CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865073 822615060 /nfs/dbraw/zinc/61/50/60/822615060.db2.gz SVOSFUCIRURVJE-SECBINFHSA-N 0 0 383.376 4.409 20 5 GIBDRN Cc1ccc(CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)o1 ZINC000047866216 822615204 /nfs/dbraw/zinc/61/52/04/822615204.db2.gz DUVJWJWPUMYZQP-UHFFFAOYSA-N 0 0 381.335 4.294 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000455251234 822617891 /nfs/dbraw/zinc/61/78/91/822617891.db2.gz SHJQLMHCMVAGKF-CZUORRHYSA-N 0 0 375.450 4.315 20 5 GIBDRN C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000047915161 822619357 /nfs/dbraw/zinc/61/93/57/822619357.db2.gz AIORWMPJXLYXFS-GFCCVEGCSA-N 0 0 382.338 4.069 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c1 ZINC000180124016 822620281 /nfs/dbraw/zinc/62/02/81/822620281.db2.gz UXMRCJLXVYLWNW-UHFFFAOYSA-N 0 0 386.408 4.202 20 5 GIBDRN Cn1ccc2cccc(NC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)c21 ZINC000455265549 822621195 /nfs/dbraw/zinc/62/11/95/822621195.db2.gz ZSGXMMDRAZJSOX-QGZVFWFLSA-N 0 0 378.432 4.498 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cc(-c2cccs2)on1 ZINC000180138920 822624320 /nfs/dbraw/zinc/62/43/20/822624320.db2.gz XWWPQRIOYKZFQK-LBPRGKRZSA-N 0 0 392.458 4.296 20 5 GIBDRN COc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1OC ZINC000180168349 822631363 /nfs/dbraw/zinc/63/13/63/822631363.db2.gz IALQCZDJMVJNQE-OAQYLSRUSA-N 0 0 378.428 4.491 20 5 GIBDRN COCCOc1c(Cl)cc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000180198617 822637905 /nfs/dbraw/zinc/63/79/05/822637905.db2.gz MHOVTTGFXPYEFK-UHFFFAOYSA-N 0 0 385.203 4.179 20 5 GIBDRN COCCOc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000180199717 822638123 /nfs/dbraw/zinc/63/81/23/822638123.db2.gz FRTUYNPRXKKJIS-UHFFFAOYSA-N 0 0 385.203 4.179 20 5 GIBDRN COCCOc1c(Cl)cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000180201586 822638308 /nfs/dbraw/zinc/63/83/08/822638308.db2.gz FBWDELFXWCKUHI-UHFFFAOYSA-N 0 0 385.203 4.179 20 5 GIBDRN CC(C)(NC(=O)Nc1c2c(ccc1Cl)OCC2)c1ccccc1[N+](=O)[O-] ZINC000455352932 822638746 /nfs/dbraw/zinc/63/87/46/822638746.db2.gz NIJCUFNMXYMJHN-UHFFFAOYSA-N 0 0 375.812 4.240 20 5 GIBDRN Cc1ccoc1CN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000455366089 822641065 /nfs/dbraw/zinc/64/10/65/822641065.db2.gz ZVHDYRVPRPSNSX-UHFFFAOYSA-N 0 0 382.214 4.231 20 5 GIBDRN O=C(NCc1ccc(Cl)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048177311 822642436 /nfs/dbraw/zinc/64/24/36/822642436.db2.gz ANZJYTHKADHBRU-UHFFFAOYSA-N 0 0 394.758 4.181 20 5 GIBDRN Cc1cccc(OCCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180290035 822656570 /nfs/dbraw/zinc/65/65/70/822656570.db2.gz MXJTYDLVTPKJBK-UHFFFAOYSA-N 0 0 397.456 4.459 20 5 GIBDRN COc1cc(CNc2c(F)cccc2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000184556804 822656725 /nfs/dbraw/zinc/65/67/25/822656725.db2.gz NMISUHHSBQCMHK-UHFFFAOYSA-N 0 0 386.326 4.007 20 5 GIBDRN Cc1cccc(OCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180291899 822657238 /nfs/dbraw/zinc/65/72/38/822657238.db2.gz USZIAFBWXZQKCY-UHFFFAOYSA-N 0 0 383.429 4.069 20 5 GIBDRN Cc1nn(C)c2cc(NC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)ccc12 ZINC000455462721 822659328 /nfs/dbraw/zinc/65/93/28/822659328.db2.gz LLKKHFWRSZSASJ-INIZCTEOSA-N 0 0 393.447 4.201 20 5 GIBDRN CC(C)CN(C(=O)C[C@@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180300751 822659558 /nfs/dbraw/zinc/65/95/58/822659558.db2.gz CUBUVYZOYSDSSW-AWEZNQCLSA-N 0 0 389.477 4.276 20 5 GIBDRN Cc1nccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)n1 ZINC000180301225 822659788 /nfs/dbraw/zinc/65/97/88/822659788.db2.gz LLNIAAHYWAAQOB-UHFFFAOYSA-N 0 0 397.460 4.120 20 5 GIBDRN COc1cc(F)c(F)cc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455491749 822664976 /nfs/dbraw/zinc/66/49/76/822664976.db2.gz WUDZQMLYAXDHHH-CYBMUJFWSA-N 0 0 391.374 4.293 20 5 GIBDRN Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000184611283 822665478 /nfs/dbraw/zinc/66/54/78/822665478.db2.gz ZCIULRANJTWEJM-HNNXBMFYSA-N 0 0 382.342 4.321 20 5 GIBDRN CCCc1[nH]nc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000184612538 822665792 /nfs/dbraw/zinc/66/57/92/822665792.db2.gz YROKGZALJCBPJU-UHFFFAOYSA-N 0 0 376.722 4.195 20 5 GIBDRN CSc1cccc(C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000184621061 822666816 /nfs/dbraw/zinc/66/68/16/822666816.db2.gz ITDOWERACASIAO-UHFFFAOYSA-N 0 0 385.489 4.480 20 5 GIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000184626823 822667730 /nfs/dbraw/zinc/66/77/30/822667730.db2.gz HBXIEMGFTICFEA-KBPBESRZSA-N 0 0 396.422 4.209 20 5 GIBDRN C[C@@H](NCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412197 822677548 /nfs/dbraw/zinc/67/75/48/822677548.db2.gz LAJOBPHDHQPVRX-VXGBXAGGSA-N 0 0 397.504 4.157 20 5 GIBDRN C[C@H](NCc1csc(CC(=O)Nc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180425784 822679761 /nfs/dbraw/zinc/67/97/61/822679761.db2.gz HXBJHXWNCLTVMP-AWEZNQCLSA-N 0 0 396.472 4.083 20 5 GIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180444852 822683218 /nfs/dbraw/zinc/68/32/18/822683218.db2.gz OZBPDRUDELKBTJ-UHFFFAOYSA-N 0 0 381.432 4.429 20 5 GIBDRN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000180469543 822687610 /nfs/dbraw/zinc/68/76/10/822687610.db2.gz UXFVRVOAELFPPA-UHFFFAOYSA-N 0 0 392.284 4.003 20 5 GIBDRN CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000049201296 822694928 /nfs/dbraw/zinc/69/49/28/822694928.db2.gz RLJQEFOYCPBQSL-IBGZPJMESA-N 0 0 383.448 4.170 20 5 GIBDRN Cc1cc(Br)c(F)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000184821227 822695663 /nfs/dbraw/zinc/69/56/63/822695663.db2.gz XXHPULSWXFVKLM-UHFFFAOYSA-N 0 0 396.216 4.469 20 5 GIBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N(CCC(F)(F)F)CC1CC1 ZINC000184855465 822701037 /nfs/dbraw/zinc/70/10/37/822701037.db2.gz XEDIJCNQAJYQLM-UHFFFAOYSA-N 0 0 395.175 4.162 20 5 GIBDRN COC(=O)c1cc(CN(C)C(=O)c2cc3ccccc3c3cccnc23)oc1C ZINC000049619206 822702729 /nfs/dbraw/zinc/70/27/29/822702729.db2.gz CZINMYLMEBOJCQ-UHFFFAOYSA-N 0 0 388.423 4.348 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180561659 822702868 /nfs/dbraw/zinc/70/28/68/822702868.db2.gz CRPRDQWZRXVZBI-INIZCTEOSA-N 0 0 399.344 4.264 20 5 GIBDRN Cc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1 ZINC000049654077 822704392 /nfs/dbraw/zinc/70/43/92/822704392.db2.gz DHLSULWPCQMNAB-UHFFFAOYSA-N 0 0 382.338 4.083 20 5 GIBDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049655488 822704601 /nfs/dbraw/zinc/70/46/01/822704601.db2.gz TZWVKOPMXOFRLR-ZDUSSCGKSA-N 0 0 384.823 4.267 20 5 GIBDRN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 ZINC000180572535 822704655 /nfs/dbraw/zinc/70/46/55/822704655.db2.gz MPUTWRAHLLPFKM-SFHVURJKSA-N 0 0 398.802 4.046 20 5 GIBDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000180596632 822708141 /nfs/dbraw/zinc/70/81/41/822708141.db2.gz ASPCRCWDHXOVSC-IBGZPJMESA-N 0 0 399.422 4.322 20 5 GIBDRN O=C(Nc1ccc2c(c1)CCCC2=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000455706328 822708361 /nfs/dbraw/zinc/70/83/61/822708361.db2.gz CSQYWQWIJMEOJJ-UHFFFAOYSA-N 0 0 379.416 4.310 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000049769004 822708612 /nfs/dbraw/zinc/70/86/12/822708612.db2.gz YSYDEGFHYZAFQG-UHFFFAOYSA-N 0 0 394.302 4.420 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000180619263 822713793 /nfs/dbraw/zinc/71/37/93/822713793.db2.gz DDYGJVCLOMRXAL-YGXOJQJDSA-N 0 0 399.450 4.204 20 5 GIBDRN CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184976713 822720692 /nfs/dbraw/zinc/72/06/92/822720692.db2.gz MBLHTZOXEJXYLF-HNNXBMFYSA-N 0 0 397.456 4.119 20 5 GIBDRN COCCN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050289419 822723821 /nfs/dbraw/zinc/72/38/21/822723821.db2.gz LWDXLTYXWGFNFI-UHFFFAOYSA-N 0 0 397.456 4.007 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000185011922 822725109 /nfs/dbraw/zinc/72/51/09/822725109.db2.gz IHIPGYTWNZTHLW-AWEZNQCLSA-N 0 0 382.445 4.321 20 5 GIBDRN O=C(Nc1ccccc1-n1cccn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050314009 822725276 /nfs/dbraw/zinc/72/52/76/822725276.db2.gz VIIGYAHYYJYRNN-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN O=C(Nc1cccc(-n2ccnc2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050331850 822725743 /nfs/dbraw/zinc/72/57/43/822725743.db2.gz JMQMVICUYNBGHS-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000185020457 822726170 /nfs/dbraw/zinc/72/61/70/822726170.db2.gz VZSSXJNCNPBKSL-QGZVFWFLSA-N 0 0 397.475 4.284 20 5 GIBDRN CCc1nc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000050346047 822726828 /nfs/dbraw/zinc/72/68/28/822726828.db2.gz AXKNMDNYKFYCFG-UHFFFAOYSA-N 0 0 388.474 4.009 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccccc1F ZINC000185045266 822728849 /nfs/dbraw/zinc/72/88/49/822728849.db2.gz OSJITWYPXWXFDJ-LLVKDONJSA-N 0 0 386.358 4.109 20 5 GIBDRN C[C@@H](C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185051727 822729640 /nfs/dbraw/zinc/72/96/40/822729640.db2.gz QSXYDMFEEXWASA-ZIAGYGMSSA-N 0 0 397.406 4.385 20 5 GIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000050474906 822730641 /nfs/dbraw/zinc/73/06/41/822730641.db2.gz JVMKVLOFWFHNDP-UHFFFAOYSA-N 0 0 387.823 4.013 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000185102281 822737462 /nfs/dbraw/zinc/73/74/62/822737462.db2.gz LRLPNLXXENYKKT-OAHLLOKOSA-N 0 0 381.432 4.151 20 5 GIBDRN COc1cc(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000050768382 822738172 /nfs/dbraw/zinc/73/81/72/822738172.db2.gz SDGCQHCHAGHUBP-QGZVFWFLSA-N 0 0 398.459 4.015 20 5 GIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185124002 822740155 /nfs/dbraw/zinc/74/01/55/822740155.db2.gz HTKVMASQNAAWIW-GFCCVEGCSA-N 0 0 388.399 4.006 20 5 GIBDRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000050862434 822740243 /nfs/dbraw/zinc/74/02/43/822740243.db2.gz GFPAATFMJFXQAQ-UTKZUKDTSA-N 0 0 393.443 4.316 20 5 GIBDRN COc1cccc(-c2noc([C@@H](C)N[C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000185129539 822740575 /nfs/dbraw/zinc/74/05/75/822740575.db2.gz RJYDZMNDNSQADK-ZIAGYGMSSA-N 0 0 382.420 4.374 20 5 GIBDRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000050869471 822741433 /nfs/dbraw/zinc/74/14/33/822741433.db2.gz PVVKOPVRPCXZOO-HNAYVOBHSA-N 0 0 388.851 4.488 20 5 GIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000185161544 822744478 /nfs/dbraw/zinc/74/44/78/822744478.db2.gz ZIEBCXLNVARUDG-UHFFFAOYSA-N 0 0 389.626 4.268 20 5 GIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185185882 822746963 /nfs/dbraw/zinc/74/69/63/822746963.db2.gz KFFYGKNGZWYSPQ-KPZWWZAWSA-N 0 0 392.814 4.091 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000185228135 822751826 /nfs/dbraw/zinc/75/18/26/822751826.db2.gz ASFKQUCRNNKPBV-INIZCTEOSA-N 0 0 395.459 4.459 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000051451878 822760361 /nfs/dbraw/zinc/76/03/61/822760361.db2.gz YFMBTELLVGSLQR-LJQANCHMSA-N 0 0 389.411 4.051 20 5 GIBDRN CNc1nc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)ccc1[N+](=O)[O-] ZINC000456000823 822764541 /nfs/dbraw/zinc/76/45/41/822764541.db2.gz FPIPEDBFPUICDV-VFNNOXKTSA-N 0 0 386.477 4.191 20 5 GIBDRN Cc1cnc([C@H](N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)s1 ZINC000185324061 822766044 /nfs/dbraw/zinc/76/60/44/822766044.db2.gz KYLHXMJAYLPHLM-IAQYHMDHSA-N 0 0 385.449 4.212 20 5 GIBDRN C[C@H](NC(=O)[C@@]1(Cc2cccc(Cl)c2)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000456023871 822767865 /nfs/dbraw/zinc/76/78/65/822767865.db2.gz AGNJEMMQBPWEDR-VBKZILBWSA-N 0 0 388.851 4.075 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1NC(C)=O ZINC000185340237 822768405 /nfs/dbraw/zinc/76/84/05/822768405.db2.gz OVTATAYHXZZJAC-CQSZACIVSA-N 0 0 389.839 4.414 20 5 GIBDRN Cc1csc([C@H]2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000185348877 822769418 /nfs/dbraw/zinc/76/94/18/822769418.db2.gz QRGZUWXDNAPNKI-OLZOCXBDSA-N 0 0 377.441 4.009 20 5 GIBDRN Cc1cnc([C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185371772 822773765 /nfs/dbraw/zinc/77/37/65/822773765.db2.gz IXNSUVGDRYMBOD-BMIGLBTASA-N 0 0 394.884 4.081 20 5 GIBDRN COC[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000456129964 822781915 /nfs/dbraw/zinc/78/19/15/822781915.db2.gz POZRQIIMHHKZEO-ZDUSSCGKSA-N 0 0 397.258 4.370 20 5 GIBDRN COc1ccc(N(CC2CC2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000456146993 822784097 /nfs/dbraw/zinc/78/40/97/822784097.db2.gz QYGNUTVQOALJKR-UHFFFAOYSA-N 0 0 395.459 4.260 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1cnc2ccccc2n1 ZINC000456158284 822785125 /nfs/dbraw/zinc/78/51/25/822785125.db2.gz FEZJPOORLHQFPE-CQSZACIVSA-N 0 0 393.447 4.176 20 5 GIBDRN Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456161856 822785355 /nfs/dbraw/zinc/78/53/55/822785355.db2.gz JNLOTMLDYOIEFN-UHFFFAOYSA-N 0 0 388.371 4.451 20 5 GIBDRN Cc1cc(OC(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)s1 ZINC000185456713 822786793 /nfs/dbraw/zinc/78/67/93/822786793.db2.gz RDIWEIQZFSFBKP-UHFFFAOYSA-N 0 0 379.344 4.367 20 5 GIBDRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000185458677 822786815 /nfs/dbraw/zinc/78/68/15/822786815.db2.gz DCPQDOIGLMXIOQ-UHFFFAOYSA-N 0 0 388.383 4.288 20 5 GIBDRN CCN(CC)C(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cc1 ZINC000456184879 822787014 /nfs/dbraw/zinc/78/70/14/822787014.db2.gz KCKRIUWFRZCWTF-UHFFFAOYSA-N 0 0 398.463 4.149 20 5 GIBDRN CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)s1 ZINC000456186229 822787141 /nfs/dbraw/zinc/78/71/41/822787141.db2.gz LRZHFXUXFHMUIO-NSHDSACASA-N 0 0 378.454 4.140 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000185467392 822787718 /nfs/dbraw/zinc/78/77/18/822787718.db2.gz OWSGZNMXEHOONN-IBGZPJMESA-N 0 0 388.508 4.361 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cc(Cl)cnc2OC(C)C)cc1[N+](=O)[O-] ZINC000456210102 822788300 /nfs/dbraw/zinc/78/83/00/822788300.db2.gz YDLOBKCQRDHKBR-UHFFFAOYSA-N 0 0 379.800 4.081 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000456242735 822789554 /nfs/dbraw/zinc/78/95/54/822789554.db2.gz FIBWWFBUIJDCNR-GFCCVEGCSA-N 0 0 394.374 4.098 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000174441359 822790275 /nfs/dbraw/zinc/79/02/75/822790275.db2.gz FFEDEGMCWAXVGW-UHFFFAOYSA-N 0 0 383.282 4.169 20 5 GIBDRN CC(C)NC(=O)Nc1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000052104761 822790438 /nfs/dbraw/zinc/79/04/38/822790438.db2.gz XGBGABPTNBYBHS-UHFFFAOYSA-N 0 0 379.420 4.285 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000185516910 822792665 /nfs/dbraw/zinc/79/26/65/822792665.db2.gz KQLVEPXGCQUHSJ-QGZVFWFLSA-N 0 0 392.459 4.212 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000185526436 822793570 /nfs/dbraw/zinc/79/35/70/822793570.db2.gz MYLKESWPYUCCNJ-QGZVFWFLSA-N 0 0 378.432 4.296 20 5 GIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000052314169 822795880 /nfs/dbraw/zinc/79/58/80/822795880.db2.gz JHZZSHLSELJRFN-CQSZACIVSA-N 0 0 394.406 4.483 20 5 GIBDRN Nc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1[N+](=O)[O-] ZINC000174503028 822797789 /nfs/dbraw/zinc/79/77/89/822797789.db2.gz KHNAPUZFUVXGHL-UHFFFAOYSA-N 0 0 384.779 4.270 20 5 GIBDRN CC(=O)c1ccc(NCc2cccc(NC(=O)c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000052489071 822801249 /nfs/dbraw/zinc/80/12/49/822801249.db2.gz SNNXIFIATNZTLU-UHFFFAOYSA-N 0 0 390.399 4.057 20 5 GIBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C1CCCC1 ZINC000052489400 822801299 /nfs/dbraw/zinc/80/12/99/822801299.db2.gz RKHGNFAZEQVQCG-UHFFFAOYSA-N 0 0 384.392 4.244 20 5 GIBDRN C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000052496553 822801710 /nfs/dbraw/zinc/80/17/10/822801710.db2.gz ZVQWAWRQFDEISH-SECBINFHSA-N 0 0 375.435 4.058 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456361644 822802173 /nfs/dbraw/zinc/80/21/73/822802173.db2.gz DQTDTOLKVBBZFA-HIFRSBDPSA-N 0 0 388.493 4.365 20 5 GIBDRN O=C1C[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000185640292 822805775 /nfs/dbraw/zinc/80/57/75/822805775.db2.gz HWKIDLBQMYFVSU-CYBMUJFWSA-N 0 0 394.258 4.362 20 5 GIBDRN COc1ccc(NC(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000052635346 822805800 /nfs/dbraw/zinc/80/58/00/822805800.db2.gz ZMIAKNDWYCQIRX-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2)cs1 ZINC000052820830 822811893 /nfs/dbraw/zinc/81/18/93/822811893.db2.gz KEFZCLVPBCCILI-UHFFFAOYSA-N 0 0 385.470 4.127 20 5 GIBDRN O=C(N[C@@H]1CCCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185708634 822812527 /nfs/dbraw/zinc/81/25/27/822812527.db2.gz CIDPAKCVAIVJST-CYBMUJFWSA-N 0 0 392.864 4.308 20 5 GIBDRN CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000052963860 822817221 /nfs/dbraw/zinc/81/72/21/822817221.db2.gz ITALAMOTYBQVCL-UHFFFAOYSA-N 0 0 378.384 4.365 20 5 GIBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(OC(F)(F)F)cc1 ZINC000174675630 822821898 /nfs/dbraw/zinc/82/18/98/822821898.db2.gz NKJFFPCRLNHVJB-UHFFFAOYSA-N 0 0 397.309 4.062 20 5 GIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cccc(C(F)(F)F)c1 ZINC000053111370 822822112 /nfs/dbraw/zinc/82/21/12/822822112.db2.gz DVOMUPNTOLUTNN-GFCCVEGCSA-N 0 0 381.354 4.073 20 5 GIBDRN Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)c(C)c1O ZINC000185809001 822823290 /nfs/dbraw/zinc/82/32/90/822823290.db2.gz BGKYHHQYRXHQMK-UHFFFAOYSA-N 0 0 378.812 4.287 20 5 GIBDRN CC[C@@H](C)NC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 ZINC000174689109 822823668 /nfs/dbraw/zinc/82/36/68/822823668.db2.gz PVKLWQZJOPSEJC-GFCCVEGCSA-N 0 0 393.390 4.337 20 5 GIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1C ZINC000456709822 822825665 /nfs/dbraw/zinc/82/56/65/822825665.db2.gz UVVJXUIBWMDRRX-KRWDZBQOSA-N 0 0 394.431 4.156 20 5 GIBDRN O=C(CCCCc1nc2ccccc2s1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000053216057 822826406 /nfs/dbraw/zinc/82/64/06/822826406.db2.gz MUEVOWLFPHIFRU-UHFFFAOYSA-N 0 0 383.473 4.276 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3nnc(C(F)(F)F)s3)cs2)c1 ZINC000185871940 822828939 /nfs/dbraw/zinc/82/89/39/822828939.db2.gz HEIGBVPCALNXCT-UHFFFAOYSA-N 0 0 387.368 4.201 20 5 GIBDRN COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000456789802 822831281 /nfs/dbraw/zinc/83/12/81/822831281.db2.gz ZUQCEANOLUOQBR-IRXDYDNUSA-N 0 0 398.459 4.316 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCSc1nnc(NCc2ccccc2)s1 ZINC000053395695 822832872 /nfs/dbraw/zinc/83/28/72/822832872.db2.gz HIYJWEOCLGZECA-UHFFFAOYSA-N 0 0 388.474 4.230 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000174757244 822833155 /nfs/dbraw/zinc/83/31/55/822833155.db2.gz CAKAVSYCLPLQMW-UHFFFAOYSA-N 0 0 387.436 4.409 20 5 GIBDRN COc1ccc(-c2nnc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000185922733 822833897 /nfs/dbraw/zinc/83/38/97/822833897.db2.gz JAYAKYGBFADUGN-LLVKDONJSA-N 0 0 399.432 4.005 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000053425945 822834639 /nfs/dbraw/zinc/83/46/39/822834639.db2.gz NCZIRWQLWXDYQG-CYBMUJFWSA-N 0 0 381.457 4.447 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000053425949 822834645 /nfs/dbraw/zinc/83/46/45/822834645.db2.gz NCZIRWQLWXDYQG-ZDUSSCGKSA-N 0 0 381.457 4.447 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(CCSC2)C1 ZINC000456820374 822834948 /nfs/dbraw/zinc/83/49/48/822834948.db2.gz GPRVQNGZKCTKSO-INIZCTEOSA-N 0 0 386.926 4.086 20 5 GIBDRN O=C(NC1(c2ccccc2)CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000053473134 822836688 /nfs/dbraw/zinc/83/66/88/822836688.db2.gz MZJHVDWJZJERFQ-UHFFFAOYSA-N 0 0 379.460 4.007 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCSC2)C1 ZINC000456846671 822837693 /nfs/dbraw/zinc/83/76/93/822837693.db2.gz UCHOESSAUBOZLC-INIZCTEOSA-N 0 0 399.310 4.025 20 5 GIBDRN CNC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000053548812 822840674 /nfs/dbraw/zinc/84/06/74/822840674.db2.gz JXSFMVZJTDIKJT-UHFFFAOYSA-N 0 0 394.358 4.117 20 5 GIBDRN Cc1nc2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2o1 ZINC000174811535 822840802 /nfs/dbraw/zinc/84/08/02/822840802.db2.gz CVXFCDPBXPWTHL-UHFFFAOYSA-N 0 0 396.403 4.120 20 5 GIBDRN COC[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000457056188 822848563 /nfs/dbraw/zinc/84/85/63/822848563.db2.gz QGKCOXFEGFQZTA-SFHVURJKSA-N 0 0 398.459 4.063 20 5 GIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000053884073 822851635 /nfs/dbraw/zinc/85/16/35/822851635.db2.gz GZKQYFPIIVEERU-JTQLQIEISA-N 0 0 398.337 4.177 20 5 GIBDRN CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000053958507 822854380 /nfs/dbraw/zinc/85/43/80/822854380.db2.gz VZKSBUNHYWTQQU-UHFFFAOYSA-N 0 0 380.853 4.166 20 5 GIBDRN COc1cc(C(=O)NC2(Cc3ccccc3)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000186153668 822856196 /nfs/dbraw/zinc/85/61/96/822856196.db2.gz POKZZGXIXRNORE-UHFFFAOYSA-N 0 0 398.459 4.287 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000186174746 822858060 /nfs/dbraw/zinc/85/80/60/822858060.db2.gz JXKWPUZLGIOIOM-JKSUJKDBSA-N 0 0 388.414 4.458 20 5 GIBDRN CC1(C)C[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000457167178 822858495 /nfs/dbraw/zinc/85/84/95/822858495.db2.gz VQWFKQRAXIZPFO-KRWDZBQOSA-N 0 0 397.475 4.142 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000186188100 822859374 /nfs/dbraw/zinc/85/93/74/822859374.db2.gz LCTRPJYBJFZGOA-JTQLQIEISA-N 0 0 398.312 4.104 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000186187526 822859379 /nfs/dbraw/zinc/85/93/79/822859379.db2.gz LLKJCOJSLBQGFJ-UHFFFAOYSA-N 0 0 399.472 4.241 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCC1CC(F)(F)C1 ZINC000457212370 822860882 /nfs/dbraw/zinc/86/08/82/822860882.db2.gz JBIIVEMQDXWOKR-UHFFFAOYSA-N 0 0 398.353 4.257 20 5 GIBDRN Cc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000054077845 822861400 /nfs/dbraw/zinc/86/14/00/822861400.db2.gz PUWKSLGAEUULQQ-CQSZACIVSA-N 0 0 396.472 4.463 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1 ZINC000457327996 822866438 /nfs/dbraw/zinc/86/64/38/822866438.db2.gz MVDRZTZSOVOOLI-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN COc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000175012050 822867093 /nfs/dbraw/zinc/86/70/93/822867093.db2.gz GRZLRSCMSCJDFY-JTQLQIEISA-N 0 0 394.225 4.249 20 5 GIBDRN C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2c(O)cccc21 ZINC000186266653 822867161 /nfs/dbraw/zinc/86/71/61/822867161.db2.gz XHAWEWICFNCTKT-INIZCTEOSA-N 0 0 398.462 4.401 20 5 GIBDRN O=C(NC1CCN(c2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000054220073 822868990 /nfs/dbraw/zinc/86/89/90/822868990.db2.gz SXDDLIOWWLSCIC-UHFFFAOYSA-N 0 0 381.457 4.208 20 5 GIBDRN COc1ccc(N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C2CC2)cc1 ZINC000569028429 822871084 /nfs/dbraw/zinc/87/10/84/822871084.db2.gz BGACLHFLODMXQT-LBPRGKRZSA-N 0 0 390.386 4.256 20 5 GIBDRN C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2c(O)cccc21 ZINC000186295900 822872540 /nfs/dbraw/zinc/87/25/40/822872540.db2.gz CPNXWFIMVZFAKH-JTQLQIEISA-N 0 0 391.221 4.217 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2c(O)cccc21 ZINC000186295880 822872569 /nfs/dbraw/zinc/87/25/69/822872569.db2.gz CPNXWFIMVZFAKH-SNVBAGLBSA-N 0 0 391.221 4.217 20 5 GIBDRN O=[N+]([O-])c1c(NC2(Cc3ccc(F)cc3)CCOCC2)ccc2ncccc21 ZINC000569067202 822876080 /nfs/dbraw/zinc/87/60/80/822876080.db2.gz AVXNWKRRXKLUHK-UHFFFAOYSA-N 0 0 381.407 4.486 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1[N+](=O)[O-] ZINC000186347060 822879459 /nfs/dbraw/zinc/87/94/59/822879459.db2.gz RSLMVAJHXVGIKZ-UHFFFAOYSA-N 0 0 399.472 4.113 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000186346318 822879471 /nfs/dbraw/zinc/87/94/71/822879471.db2.gz PLGFGQJBPBGPFO-NWDGAFQWSA-N 0 0 384.741 4.085 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000186346280 822879483 /nfs/dbraw/zinc/87/94/83/822879483.db2.gz PLGFGQJBPBGPFO-VXGBXAGGSA-N 0 0 384.741 4.085 20 5 GIBDRN Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389803 822880910 /nfs/dbraw/zinc/88/09/10/822880910.db2.gz DNLZXJVNCNZOKQ-LJQANCHMSA-N 0 0 394.406 4.077 20 5 GIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(F)c(Br)c2)n1 ZINC000569161904 822886480 /nfs/dbraw/zinc/88/64/80/822886480.db2.gz QFPKYFDHVXYHNC-UHFFFAOYSA-N 0 0 378.157 4.137 20 5 GIBDRN O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2F)cc1)c1cccs1 ZINC000054454289 822887230 /nfs/dbraw/zinc/88/72/30/822887230.db2.gz YPSVWSWDTJDGQI-UHFFFAOYSA-N 0 0 386.360 4.267 20 5 GIBDRN C[C@@H](C(=O)N1CCC(OC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000569172343 822888603 /nfs/dbraw/zinc/88/86/03/822888603.db2.gz UVPXYRSUPSYDLY-CQSZACIVSA-N 0 0 378.444 4.178 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000175131407 822888743 /nfs/dbraw/zinc/88/87/43/822888743.db2.gz GFXDOSOEAJHIKG-UHFFFAOYSA-N 0 0 396.378 4.030 20 5 GIBDRN Cc1c(Cl)cncc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000457573202 822892977 /nfs/dbraw/zinc/89/29/77/822892977.db2.gz UBLUTGPCZSZCOU-UHFFFAOYSA-N 0 0 387.745 4.156 20 5 GIBDRN CC[C@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000186465411 822899738 /nfs/dbraw/zinc/89/97/38/822899738.db2.gz FBQJKZOCBRAHIL-KRWDZBQOSA-N 0 0 385.855 4.285 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000054644498 822901225 /nfs/dbraw/zinc/90/12/25/822901225.db2.gz MXJWIKFEQRYPMH-LJQANCHMSA-N 0 0 399.447 4.427 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000054670712 822903559 /nfs/dbraw/zinc/90/35/59/822903559.db2.gz GEVNMGBPWKJXRG-UHFFFAOYSA-N 0 0 382.372 4.105 20 5 GIBDRN C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000569330570 822908580 /nfs/dbraw/zinc/90/85/80/822908580.db2.gz OWYABTLAMPPTCE-SJCJKPOMSA-N 0 0 375.375 4.037 20 5 GIBDRN O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000054778311 822911939 /nfs/dbraw/zinc/91/19/39/822911939.db2.gz CSVCEERFESXNMF-UHFFFAOYSA-N 0 0 394.402 4.381 20 5 GIBDRN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000175241075 822912083 /nfs/dbraw/zinc/91/20/83/822912083.db2.gz QWWMHFHFXDQLCZ-VIFPVBQESA-N 0 0 384.285 4.180 20 5 GIBDRN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(C)cc1Br ZINC000569399992 822917112 /nfs/dbraw/zinc/91/71/12/822917112.db2.gz KDUQNWBZSNDKKG-UHFFFAOYSA-N 0 0 389.209 4.010 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000186590138 822918911 /nfs/dbraw/zinc/91/89/11/822918911.db2.gz TUZDBBSLXNPBFV-PBHICJAKSA-N 0 0 386.473 4.227 20 5 GIBDRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000569417532 822920140 /nfs/dbraw/zinc/92/01/40/822920140.db2.gz QOWDUAUQIWZGHB-UHFFFAOYSA-N 0 0 378.812 4.361 20 5 GIBDRN Cc1cc(NCc2cnn(CC(F)(F)F)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000569418770 822920357 /nfs/dbraw/zinc/92/03/57/822920357.db2.gz CQLOPDIOCXPCID-UHFFFAOYSA-N 0 0 382.264 4.293 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000175304599 822930105 /nfs/dbraw/zinc/93/01/05/822930105.db2.gz WOLOTTAEQYVOOQ-UHFFFAOYSA-N 0 0 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000570431811 823037334 /nfs/dbraw/zinc/03/73/34/823037334.db2.gz BGSWPKNXLAUZAT-MRXNPFEDSA-N 0 0 393.447 4.376 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3c(C)[nH]c4ccccc43)no2)c1 ZINC000570434416 823037821 /nfs/dbraw/zinc/03/78/21/823037821.db2.gz SOJKJHDUVPBTEK-UHFFFAOYSA-N 0 0 378.388 4.424 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000570464554 823041099 /nfs/dbraw/zinc/04/10/99/823041099.db2.gz PQGMXMNZKSOULK-LIRRHRJNSA-N 0 0 378.432 4.247 20 5 GIBDRN Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000055781286 823043788 /nfs/dbraw/zinc/04/37/88/823043788.db2.gz ABFBUZXENKEXDF-FQEVSTJZSA-N 0 0 376.416 4.066 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000123848692 823545347 /nfs/dbraw/zinc/54/53/47/823545347.db2.gz IERKFNYGTSHCCZ-GOSISDBHSA-N 0 0 383.448 4.174 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000123856544 823546483 /nfs/dbraw/zinc/54/64/83/823546483.db2.gz RXRMOCHYMNOGNX-UHFFFAOYSA-N 0 0 375.375 4.045 20 5 GIBDRN CCN(c1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1)C1CCCC1 ZINC000411105746 823547212 /nfs/dbraw/zinc/54/72/12/823547212.db2.gz XFLAQMBLGXBZAO-UHFFFAOYSA-N 0 0 389.843 4.059 20 5 GIBDRN CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000190195945 823549450 /nfs/dbraw/zinc/54/94/50/823549450.db2.gz WLARXTKGERIQKY-ZDUSSCGKSA-N 0 0 393.793 4.097 20 5 GIBDRN CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Cl)cc1 ZINC000411133248 823550814 /nfs/dbraw/zinc/55/08/14/823550814.db2.gz DPYYXZPATLENCJ-OAHLLOKOSA-N 0 0 389.839 4.071 20 5 GIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000060685133 823552578 /nfs/dbraw/zinc/55/25/78/823552578.db2.gz KENMMVCQEJHWLR-UHFFFAOYSA-N 0 0 379.394 4.180 20 5 GIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000123940723 823553587 /nfs/dbraw/zinc/55/35/87/823553587.db2.gz INNCSPCPKABADJ-CYBMUJFWSA-N 0 0 387.461 4.371 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000460975414 823554062 /nfs/dbraw/zinc/55/40/62/823554062.db2.gz GESXOEBPJVKAPZ-MGPUTAFESA-N 0 0 383.492 4.236 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000460978664 823554727 /nfs/dbraw/zinc/55/47/27/823554727.db2.gz JAWSMDUSXWBEFL-VBKZILBWSA-N 0 0 394.475 4.424 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000460982392 823555432 /nfs/dbraw/zinc/55/54/32/823555432.db2.gz QSWBHWRPIOKRLJ-HXUWFJFHSA-N 0 0 379.460 4.468 20 5 GIBDRN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1Cl ZINC000411214747 823557950 /nfs/dbraw/zinc/55/79/50/823557950.db2.gz BLFDOKHCLYAHQA-UHFFFAOYSA-N 0 0 394.811 4.305 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)n1 ZINC000123989244 823558177 /nfs/dbraw/zinc/55/81/77/823558177.db2.gz AJUDVHYUKHBXGF-UHFFFAOYSA-N 0 0 389.411 4.289 20 5 GIBDRN CCOc1cc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000190275274 823558506 /nfs/dbraw/zinc/55/85/06/823558506.db2.gz KTKVWNYMLWZJNM-GFCCVEGCSA-N 0 0 375.391 4.068 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@@H]1C[C@]12CCOC2 ZINC000461028078 823561621 /nfs/dbraw/zinc/56/16/21/823561621.db2.gz XYPYYJPNZLOTEI-SJCJKPOMSA-N 0 0 376.459 4.173 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@H]1C[C@@]12CCOC2 ZINC000461028079 823561842 /nfs/dbraw/zinc/56/18/42/823561842.db2.gz XYPYYJPNZLOTEI-SJKOYZFVSA-N 0 0 376.459 4.173 20 5 GIBDRN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000124037571 823561835 /nfs/dbraw/zinc/56/18/35/823561835.db2.gz HZNJZQSMGHQZCG-GFCCVEGCSA-N 0 0 392.253 4.284 20 5 GIBDRN Cc1c(CC(=O)Nc2cccc3oc(C(F)(F)F)nc32)cccc1[N+](=O)[O-] ZINC000124037452 823561960 /nfs/dbraw/zinc/56/19/60/823561960.db2.gz WCVUZEGAEILRLN-UHFFFAOYSA-N 0 0 379.294 4.244 20 5 GIBDRN COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000060854844 823562387 /nfs/dbraw/zinc/56/23/87/823562387.db2.gz IKOWNXYGTGHIFO-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)(C)C ZINC000411292103 823562612 /nfs/dbraw/zinc/56/26/12/823562612.db2.gz NXURHNRVDUICQI-GOSISDBHSA-N 0 0 383.448 4.054 20 5 GIBDRN CSc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000124078545 823565638 /nfs/dbraw/zinc/56/56/38/823565638.db2.gz FLMTZXVLKAKWNO-INIZCTEOSA-N 0 0 384.457 4.194 20 5 GIBDRN CCC(CC)(CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000461050580 823565943 /nfs/dbraw/zinc/56/59/43/823565943.db2.gz KHDSOJJVRBFRET-UHFFFAOYSA-N 0 0 392.477 4.161 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190358164 823566105 /nfs/dbraw/zinc/56/61/05/823566105.db2.gz JCLQUAPRZPDVJG-CYBMUJFWSA-N 0 0 375.347 4.046 20 5 GIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000190370576 823567043 /nfs/dbraw/zinc/56/70/43/823567043.db2.gz FNMMBWXZHGHJQO-LBPRGKRZSA-N 0 0 398.221 4.049 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000411382535 823567980 /nfs/dbraw/zinc/56/79/80/823567980.db2.gz CNIOHWCYUKCXHP-UHFFFAOYSA-N 0 0 397.431 4.110 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000190381954 823568111 /nfs/dbraw/zinc/56/81/11/823568111.db2.gz AENMFTSRVIJZPW-UHFFFAOYSA-N 0 0 381.354 4.025 20 5 GIBDRN Cc1cccc(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)c1 ZINC000461075167 823570990 /nfs/dbraw/zinc/57/09/90/823570990.db2.gz MZZOSJHYTLELPA-LJQANCHMSA-N 0 0 393.447 4.109 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1cncc(C(F)(F)F)c1 ZINC000461094057 823575548 /nfs/dbraw/zinc/57/55/48/823575548.db2.gz SYZAQVYQKMEALL-UHFFFAOYSA-N 0 0 377.116 4.350 20 5 GIBDRN Cc1cc(C)c(Br)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000461096476 823576229 /nfs/dbraw/zinc/57/62/29/823576229.db2.gz UQXOXAUPEHRZEX-GFCCVEGCSA-N 0 0 377.238 4.465 20 5 GIBDRN Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000461096477 823576285 /nfs/dbraw/zinc/57/62/85/823576285.db2.gz UQXOXAUPEHRZEX-LBPRGKRZSA-N 0 0 377.238 4.465 20 5 GIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000124210188 823577649 /nfs/dbraw/zinc/57/76/49/823577649.db2.gz KTMTTZQCDWSAME-GOSISDBHSA-N 0 0 393.443 4.047 20 5 GIBDRN C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)C1 ZINC000461127317 823582902 /nfs/dbraw/zinc/58/29/02/823582902.db2.gz QPKHHFJSQMIABB-AYBZRNKSSA-N 0 0 399.495 4.047 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000124311886 823586202 /nfs/dbraw/zinc/58/62/02/823586202.db2.gz PEUZRHOBRVJHAT-UHFFFAOYSA-N 0 0 381.413 4.209 20 5 GIBDRN CCCC(=O)Nc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000124328692 823587623 /nfs/dbraw/zinc/58/76/23/823587623.db2.gz NJADCQMAKGOBTL-UHFFFAOYSA-N 0 0 396.447 4.232 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c(Cl)c1 ZINC000124353289 823589452 /nfs/dbraw/zinc/58/94/52/823589452.db2.gz CGMHQURQTOLMJM-GFCCVEGCSA-N 0 0 376.796 4.084 20 5 GIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000190615077 823592002 /nfs/dbraw/zinc/59/20/02/823592002.db2.gz VRAMTMKQBFGCDO-IUODEOHRSA-N 0 0 399.285 4.071 20 5 GIBDRN COc1ccc([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000124405249 823593899 /nfs/dbraw/zinc/59/38/99/823593899.db2.gz VVSWOCVHYQCOED-LLVKDONJSA-N 0 0 382.338 4.455 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000190670658 823596830 /nfs/dbraw/zinc/59/68/30/823596830.db2.gz YAZFODLPRPBUGR-IBGZPJMESA-N 0 0 397.431 4.088 20 5 GIBDRN COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)CC2)c1 ZINC000411749921 823602304 /nfs/dbraw/zinc/60/23/04/823602304.db2.gz PSHWQLSDCGFFJX-UHFFFAOYSA-N 0 0 396.443 4.320 20 5 GIBDRN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc(F)c([N+](=O)[O-])cc1F ZINC000124583160 823608410 /nfs/dbraw/zinc/60/84/10/823608410.db2.gz DBGLGDDWVSFFEM-AWEZNQCLSA-N 0 0 382.750 4.170 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000411828666 823609482 /nfs/dbraw/zinc/60/94/82/823609482.db2.gz QPACMLRMHRZWHT-AZUAARDMSA-N 0 0 395.459 4.027 20 5 GIBDRN Cc1cccc(OC(F)F)c1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124689050 823617729 /nfs/dbraw/zinc/61/77/29/823617729.db2.gz NWRHVEHJKPBLAU-UHFFFAOYSA-N 0 0 375.331 4.167 20 5 GIBDRN CS(=O)(=O)c1cc(SCc2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000190871482 823618311 /nfs/dbraw/zinc/61/83/11/823618311.db2.gz TTXHYRXAWJBKTD-UHFFFAOYSA-N 0 0 375.830 4.083 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000124700173 823618766 /nfs/dbraw/zinc/61/87/66/823618766.db2.gz SYIJHXSDGATJIM-CQSZACIVSA-N 0 0 386.473 4.220 20 5 GIBDRN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000461360130 823622664 /nfs/dbraw/zinc/62/26/64/823622664.db2.gz CUGBNIKEMRQWND-CQSZACIVSA-N 0 0 391.855 4.024 20 5 GIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461388300 823627859 /nfs/dbraw/zinc/62/78/59/823627859.db2.gz SYMUMZDZJNCMRS-UHFFFAOYSA-N 0 0 393.365 4.221 20 5 GIBDRN Cc1ccc(C(=O)CCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461390451 823628154 /nfs/dbraw/zinc/62/81/54/823628154.db2.gz WOIAIKIAMLFPKT-UHFFFAOYSA-N 0 0 396.443 4.068 20 5 GIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412128497 823628304 /nfs/dbraw/zinc/62/83/04/823628304.db2.gz NSEDLZAVRIHHIQ-MDVLYUJXSA-N 0 0 388.851 4.244 20 5 GIBDRN Cc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)CC2)cc1 ZINC000412140422 823629751 /nfs/dbraw/zinc/62/97/51/823629751.db2.gz WWKHHJPKPZZBJF-UHFFFAOYSA-N 0 0 398.459 4.374 20 5 GIBDRN O=C(NCc1ccc(Br)cc1Cl)c1ccc(F)cc1[N+](=O)[O-] ZINC000124851950 823631139 /nfs/dbraw/zinc/63/11/39/823631139.db2.gz MHWZIQQFIDHEJR-UHFFFAOYSA-N 0 0 387.592 4.080 20 5 GIBDRN O=C(c1cc(C2CC2)nc2ccccc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461414610 823631506 /nfs/dbraw/zinc/63/15/06/823631506.db2.gz JAUQWFUHRMLCAP-UHFFFAOYSA-N 0 0 389.411 4.055 20 5 GIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@H]1c1ccccc1Cl ZINC000124886354 823633774 /nfs/dbraw/zinc/63/37/74/823633774.db2.gz WKWSOOSJGGTETF-STQMWFEESA-N 0 0 388.807 4.152 20 5 GIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412185203 823633845 /nfs/dbraw/zinc/63/38/45/823633845.db2.gz XOGNTJAGXAACJP-SZFUDVHCSA-N 0 0 390.443 4.070 20 5 GIBDRN CC(C)Oc1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000412203793 823635601 /nfs/dbraw/zinc/63/56/01/823635601.db2.gz GYMIMOJHAPODFI-QFBILLFUSA-N 0 0 398.459 4.280 20 5 GIBDRN CC[C@@H](C)n1ncc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1C1CC1 ZINC000124935596 823638543 /nfs/dbraw/zinc/63/85/43/823638543.db2.gz YNAMFNIQZQJTFK-GFCCVEGCSA-N 0 0 394.435 4.282 20 5 GIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412246753 823639556 /nfs/dbraw/zinc/63/95/56/823639556.db2.gz RNFPRIAVLNISBT-UMBPUVEWSA-N 0 0 388.851 4.244 20 5 GIBDRN CC(C)Oc1cc(C(=O)N[C@H](C)c2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC000412266712 823641571 /nfs/dbraw/zinc/64/15/71/823641571.db2.gz ZKAOODYOABHKRG-GFCCVEGCSA-N 0 0 385.445 4.483 20 5 GIBDRN CC(C)c1c(NC(=O)CCc2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000191046877 823641950 /nfs/dbraw/zinc/64/19/50/823641950.db2.gz FEENAJBHQOSNMH-UHFFFAOYSA-N 0 0 378.432 4.475 20 5 GIBDRN CCc1c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1C ZINC000412293294 823643601 /nfs/dbraw/zinc/64/36/01/823643601.db2.gz RULNQGIVKSNYCK-ZWKOTPCHSA-N 0 0 390.443 4.394 20 5 GIBDRN CC(C)Oc1cc(C(=O)NCC2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000412298522 823644271 /nfs/dbraw/zinc/64/42/71/823644271.db2.gz FWEGZUGJBKJVDW-UHFFFAOYSA-N 0 0 397.475 4.028 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)c1[N+](=O)[O-] ZINC000412329094 823646894 /nfs/dbraw/zinc/64/68/94/823646894.db2.gz JCWPHRQCUQAJFM-UHFFFAOYSA-N 0 0 396.472 4.240 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Oc1ccccc1 ZINC000062887085 823646984 /nfs/dbraw/zinc/64/69/84/823646984.db2.gz JKHOFUXWRDMHPH-UHFFFAOYSA-N 0 0 378.384 4.082 20 5 GIBDRN CCOCCOc1c(Cl)cccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000062917476 823648535 /nfs/dbraw/zinc/64/85/35/823648535.db2.gz DMJUOGPMGLAXPY-DHZHZOJOSA-N 0 0 390.823 4.315 20 5 GIBDRN CC(=O)c1ccc2cc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)ccc2c1 ZINC000125062253 823649227 /nfs/dbraw/zinc/64/92/27/823649227.db2.gz VCNNLEAWIWTQHU-UHFFFAOYSA-N 0 0 391.426 4.088 20 5 GIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000191101457 823649248 /nfs/dbraw/zinc/64/92/48/823649248.db2.gz AYSSWYBCVJAXPF-UHFFFAOYSA-N 0 0 386.358 4.264 20 5 GIBDRN COc1ccccc1C(C)(C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000062928726 823649301 /nfs/dbraw/zinc/64/93/01/823649301.db2.gz NSKDABSWQBSBRY-AWEZNQCLSA-N 0 0 388.489 4.178 20 5 GIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C2 ZINC000412375925 823650689 /nfs/dbraw/zinc/65/06/89/823650689.db2.gz 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O=C(NCCCOc1ccc(Cl)cc1Cl)c1csc([N+](=O)[O-])c1 ZINC000063261566 823657733 /nfs/dbraw/zinc/65/77/33/823657733.db2.gz CEUOSHYTRGUDBI-UHFFFAOYSA-N 0 0 375.233 4.162 20 5 GIBDRN O=[N+]([O-])c1sccc1N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000063265075 823658414 /nfs/dbraw/zinc/65/84/14/823658414.db2.gz XBHMLPIHQLZMJY-UHFFFAOYSA-N 0 0 378.251 4.463 20 5 GIBDRN CCOc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000063282207 823659515 /nfs/dbraw/zinc/65/95/15/823659515.db2.gz DFVQRPQMGUEHNM-HNNXBMFYSA-N 0 0 383.448 4.403 20 5 GIBDRN CS(=O)(=O)c1ccc(NCc2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000063281969 823659526 /nfs/dbraw/zinc/65/95/26/823659526.db2.gz CTLROXQWARSGJB-UHFFFAOYSA-N 0 0 398.440 4.403 20 5 GIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccc2Oc2ccccc2)cc1 ZINC000063309784 823661598 /nfs/dbraw/zinc/66/15/98/823661598.db2.gz XQTPMZHPGPEPJJ-UHFFFAOYSA-N 0 0 398.440 4.007 20 5 GIBDRN Cc1c(C(=O)Nc2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000125246129 823662129 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399.422 4.478 20 5 GIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000125385187 823672330 /nfs/dbraw/zinc/67/23/30/823672330.db2.gz YYPCUJXLXJRNGJ-UHFFFAOYSA-N 0 0 378.787 4.071 20 5 GIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412671545 823673493 /nfs/dbraw/zinc/67/34/93/823673493.db2.gz LDHCQZGQVWLCAL-LJQANCHMSA-N 0 0 375.428 4.486 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000191346757 823674704 /nfs/dbraw/zinc/67/47/04/823674704.db2.gz OZXKLDUFKUQRKM-CYBMUJFWSA-N 0 0 381.392 4.144 20 5 GIBDRN COc1cc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000412683867 823674900 /nfs/dbraw/zinc/67/49/00/823674900.db2.gz XMAIKCZTAFLFOD-KRWDZBQOSA-N 0 0 396.443 4.022 20 5 GIBDRN C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1 ZINC000461650980 823675139 /nfs/dbraw/zinc/67/51/39/823675139.db2.gz HVUMLISYKRBKCF-MDZRGWNJSA-N 0 0 399.495 4.047 20 5 GIBDRN 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PGZAXHLEXOAQSZ-GFCCVEGCSA-N 0 0 384.358 4.073 20 5 GIBDRN C[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)[C@H]1C ZINC000461810324 823699309 /nfs/dbraw/zinc/69/93/09/823699309.db2.gz GOCHYBPTJKFTSL-GJYPPUQNSA-N 0 0 399.495 4.047 20 5 GIBDRN CC1(C)CC[C@@H](Oc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1=O ZINC000413003038 823699645 /nfs/dbraw/zinc/69/96/45/823699645.db2.gz SQZULSPBKWBPRS-CYBMUJFWSA-N 0 0 379.210 4.042 20 5 GIBDRN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461811623 823699707 /nfs/dbraw/zinc/69/97/07/823699707.db2.gz SNZCNVDQOOCTPJ-SZVBFZGTSA-N 0 0 399.495 4.047 20 5 GIBDRN C[C@@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)C1 ZINC000461823671 823703538 /nfs/dbraw/zinc/70/35/38/823703538.db2.gz BNIOXHRFTQSBFN-VQIMIIECSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063879324 823704816 /nfs/dbraw/zinc/70/48/16/823704816.db2.gz DFJVNFDITWBXLD-UHFFFAOYSA-N 0 0 389.458 4.191 20 5 GIBDRN 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ZINC000164086483 823776268 /nfs/dbraw/zinc/77/62/68/823776268.db2.gz AOWXHTZRAJAWNQ-OAHLLOKOSA-N 0 0 390.237 4.038 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191807445 823776434 /nfs/dbraw/zinc/77/64/34/823776434.db2.gz FAOLUVPNBKDPNF-JTQLQIEISA-N 0 0 390.848 4.496 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1Cc2cccc(F)c2C1 ZINC000413433652 823777487 /nfs/dbraw/zinc/77/74/87/823777487.db2.gz KHVZBHVPLRDBDR-UHFFFAOYSA-N 0 0 377.244 4.303 20 5 GIBDRN Cc1cc(N2CC(C)(C)O[C@@]3(CCCOC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461975572 823779031 /nfs/dbraw/zinc/77/90/31/823779031.db2.gz YQEUHCXHMWNDED-KRWDZBQOSA-N 0 0 388.386 4.086 20 5 GIBDRN C[C@H](NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000413447886 823779734 /nfs/dbraw/zinc/77/97/34/823779734.db2.gz YHXKELVSXBCWRC-JXFKEZNVSA-N 0 0 395.459 4.219 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC(c2ccccc2F)C1 ZINC000461985222 823782629 /nfs/dbraw/zinc/78/26/29/823782629.db2.gz 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0 389.455 4.488 20 5 GIBDRN CC(C)N(C)c1ccccc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000575010145 823887201 /nfs/dbraw/zinc/88/72/01/823887201.db2.gz DIQGOEUDORLOIA-OAQYLSRUSA-N 0 0 393.491 4.052 20 5 GIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2CCC2)cn1 ZINC000575017030 823888741 /nfs/dbraw/zinc/88/87/41/823888741.db2.gz IPQNTEPCXMZQKZ-UHFFFAOYSA-N 0 0 375.812 4.318 20 5 GIBDRN COc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000126531357 823892375 /nfs/dbraw/zinc/89/23/75/823892375.db2.gz WLBUJNXWNKTCLU-LJQANCHMSA-N 0 0 397.818 4.171 20 5 GIBDRN C[C@@H](C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)c1cccc([N+](=O)[O-])c1 ZINC000575039230 823897802 /nfs/dbraw/zinc/89/78/02/823897802.db2.gz XMDKISITAQQTBF-GDBMZVCRSA-N 0 0 399.516 4.440 20 5 GIBDRN COC(=O)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)cs2)cc1 ZINC000064854407 823901460 /nfs/dbraw/zinc/90/14/60/823901460.db2.gz WAVBLOQLCOSEIK-UHFFFAOYSA-N 0 0 388.376 4.223 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000575086668 823907819 /nfs/dbraw/zinc/90/78/19/823907819.db2.gz YCXMFNTVEKEWAU-SCLBCKFNSA-N 0 0 397.431 4.007 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1OC ZINC000064901837 823908630 /nfs/dbraw/zinc/90/86/30/823908630.db2.gz GLAZMVAAAVBKGR-UHFFFAOYSA-N 0 0 397.431 4.030 20 5 GIBDRN CCc1cc(Oc2cccc(C(=O)OC)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904677 823909046 /nfs/dbraw/zinc/90/90/46/823909046.db2.gz PRDLIZQBNAEDON-UHFFFAOYSA-N 0 0 379.372 4.193 20 5 GIBDRN CCCCOc1cc(OC)ccc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000575091576 823909305 /nfs/dbraw/zinc/90/93/05/823909305.db2.gz MLEDOOYPYYFLHE-UHFFFAOYSA-N 0 0 383.404 4.423 20 5 GIBDRN CCOCc1ccccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064908034 823910527 /nfs/dbraw/zinc/91/05/27/823910527.db2.gz MGCTUXOGBSSHSM-UHFFFAOYSA-N 0 0 397.456 4.185 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CCCC2)c2cccc(Cl)c21 ZINC000192233269 823911053 /nfs/dbraw/zinc/91/10/53/823911053.db2.gz BBLDBCSTDQPNOB-UHFFFAOYSA-N 0 0 388.855 4.002 20 5 GIBDRN CCc1cc(NCc2cn3cc(C)ccc3n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064915086 823911267 /nfs/dbraw/zinc/91/12/67/823911267.db2.gz YGBQPERZEPOTEE-UHFFFAOYSA-N 0 0 388.431 4.182 20 5 GIBDRN CNC(=O)c1ccc(NCCSCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000064931147 823913525 /nfs/dbraw/zinc/91/35/25/823913525.db2.gz OSQKWOGEWNTMRR-UHFFFAOYSA-N 0 0 395.484 4.453 20 5 GIBDRN C[C@@H](Cc1ccccc1F)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064934601 823914525 /nfs/dbraw/zinc/91/45/25/823914525.db2.gz GXMOIJORDBLYES-LBPRGKRZSA-N 0 0 385.420 4.218 20 5 GIBDRN O=C1CCc2cc([N+](=O)[O-])c(N3CCC(c4nc5ccccc5o4)CC3)cc2N1 ZINC000170639248 823923667 /nfs/dbraw/zinc/92/36/67/823923667.db2.gz MUOSFNXZXHSILN-UHFFFAOYSA-N 0 0 392.415 4.005 20 5 GIBDRN CC(C)OCCOCc1cccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC000170640029 823924178 /nfs/dbraw/zinc/92/41/78/823924178.db2.gz GDHPGXLGTZTIGL-UHFFFAOYSA-N 0 0 399.447 4.165 20 5 GIBDRN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc2ccccc2c2cccnc12 ZINC000170669186 823931638 /nfs/dbraw/zinc/93/16/38/823931638.db2.gz QMLLWOJMWLEHES-AWEZNQCLSA-N 0 0 387.405 4.002 20 5 GIBDRN CN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000170679796 823935762 /nfs/dbraw/zinc/93/57/62/823935762.db2.gz SYWRQRANIGAJOX-INIZCTEOSA-N 0 0 390.823 4.292 20 5 GIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000575220369 823943409 /nfs/dbraw/zinc/94/34/09/823943409.db2.gz AQQXLRKQXRKPKC-CQSZACIVSA-N 0 0 397.410 4.419 20 5 GIBDRN CN(CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000065118378 823946526 /nfs/dbraw/zinc/94/65/26/823946526.db2.gz KZGWTPVJFJYPHP-UHFFFAOYSA-N 0 0 383.473 4.456 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1cccc(O)c1)CC1CC1 ZINC000170707933 823948985 /nfs/dbraw/zinc/94/89/85/823948985.db2.gz IUOORKIUTBTOPP-UHFFFAOYSA-N 0 0 375.812 4.398 20 5 GIBDRN Cc1c([C@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000575240822 823949637 /nfs/dbraw/zinc/94/96/37/823949637.db2.gz QQBMINHTUCLSJH-KBPBESRZSA-N 0 0 396.422 4.209 20 5 GIBDRN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000170713842 823951931 /nfs/dbraw/zinc/95/19/31/823951931.db2.gz RRHDVTIOSPCRCB-UHFFFAOYSA-N 0 0 387.823 4.127 20 5 GIBDRN C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000170723473 823953841 /nfs/dbraw/zinc/95/38/41/823953841.db2.gz CFSBGJSWWSRYRY-KSSFIOAISA-N 0 0 399.447 4.038 20 5 GIBDRN CC(C)[C@]1(CO)CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000575321644 823954693 /nfs/dbraw/zinc/95/46/93/823954693.db2.gz DKQASHVYGDKUTD-JOCHJYFZSA-N 0 0 382.460 4.061 20 5 GIBDRN CO[C@@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000170727694 823956121 /nfs/dbraw/zinc/95/61/21/823956121.db2.gz GPKKOSGTTKWYGT-JTQLQIEISA-N 0 0 379.210 4.317 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC000170727018 823956304 /nfs/dbraw/zinc/95/63/04/823956304.db2.gz VHWSPAMROZKIHI-UHFFFAOYSA-N 0 0 392.293 4.224 20 5 GIBDRN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(F)ccc1F ZINC000170746152 823959368 /nfs/dbraw/zinc/95/93/68/823959368.db2.gz QKNAARMNLQABOX-UHFFFAOYSA-N 0 0 375.356 4.273 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN(CC)C(C)=O)c1 ZINC000462414063 823965685 /nfs/dbraw/zinc/96/56/85/823965685.db2.gz CJDILVRUEOWMKE-IBGZPJMESA-N 0 0 397.475 4.171 20 5 GIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)Cc1nc(C2CCCCC2)cs1 ZINC000414421473 823979463 /nfs/dbraw/zinc/97/94/63/823979463.db2.gz YFBDVNQNPFQREI-UHFFFAOYSA-N 0 0 380.491 4.214 20 5 GIBDRN Cc1ccc(Br)cc1CS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414423576 823980219 /nfs/dbraw/zinc/98/02/19/823980219.db2.gz JBHZLBAMWPXOKQ-GFCCVEGCSA-N 0 0 398.278 4.342 20 5 GIBDRN CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000126938256 823985232 /nfs/dbraw/zinc/98/52/32/823985232.db2.gz GZGKKXCQCHJFMH-UHFFFAOYSA-N 0 0 390.823 4.476 20 5 GIBDRN Cc1c(CC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000126998318 823997835 /nfs/dbraw/zinc/99/78/35/823997835.db2.gz UITDOHMUPLZFPS-INIZCTEOSA-N 0 0 375.428 4.385 20 5 GIBDRN Cn1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 ZINC000127017470 824001547 /nfs/dbraw/zinc/00/15/47/824001547.db2.gz AIMFSAUUIRPJPR-UHFFFAOYSA-N 0 0 378.816 4.475 20 5 GIBDRN CSc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000192476505 824005942 /nfs/dbraw/zinc/00/59/42/824005942.db2.gz SEGUNIWNXCXZRW-UHFFFAOYSA-N 0 0 399.472 4.113 20 5 GIBDRN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575837580 824008917 /nfs/dbraw/zinc/00/89/17/824008917.db2.gz FVXXRECWJLCXKC-CYBMUJFWSA-N 0 0 398.312 4.396 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000192524237 824019609 /nfs/dbraw/zinc/01/96/09/824019609.db2.gz DPUIIWPLWWCUOP-IAGOWNOFSA-N 0 0 397.475 4.073 20 5 GIBDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000127126385 824022435 /nfs/dbraw/zinc/02/24/35/824022435.db2.gz YNNUKVDNGCIQDC-LBPRGKRZSA-N 0 0 377.238 4.465 20 5 GIBDRN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccncc1 ZINC000127141498 824024972 /nfs/dbraw/zinc/02/49/72/824024972.db2.gz HCOMULBLDSHUEU-UHFFFAOYSA-N 0 0 391.387 4.195 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 ZINC000575911896 824028182 /nfs/dbraw/zinc/02/81/82/824028182.db2.gz HFDTXADKQQUPRH-INIZCTEOSA-N 0 0 399.447 4.241 20 5 GIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000192549285 824028902 /nfs/dbraw/zinc/02/89/02/824028902.db2.gz MHOGUATYZSDQHO-UHFFFAOYSA-N 0 0 397.410 4.123 20 5 GIBDRN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000192550782 824029625 /nfs/dbraw/zinc/02/96/25/824029625.db2.gz WCJFODJQYPIFMV-UHFFFAOYSA-N 0 0 389.383 4.481 20 5 GIBDRN C[C@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171015474 824037764 /nfs/dbraw/zinc/03/77/64/824037764.db2.gz VZPDAGUGXOYIHO-AWEZNQCLSA-N 0 0 386.427 4.081 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2c1cc(F)cc2F ZINC000192613808 824045867 /nfs/dbraw/zinc/04/58/67/824045867.db2.gz OXGLHQIDHPUPQS-UHFFFAOYSA-N 0 0 390.389 4.022 20 5 GIBDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N2 ZINC000171048408 824046940 /nfs/dbraw/zinc/04/69/40/824046940.db2.gz FSNOYYFAPDHXBY-LJQANCHMSA-N 0 0 379.372 4.060 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Cl)s1 ZINC000018939207 210220274 /nfs/dbraw/zinc/22/02/74/210220274.db2.gz BFKWRULJAMTIMZ-VIFPVBQESA-N 0 0 388.276 4.422 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015993330 210180779 /nfs/dbraw/zinc/18/07/79/210180779.db2.gz ZRDQVCNFJJERGG-UHFFFAOYSA-N 0 0 391.374 4.051 20 5 GIBDRN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 ZINC000014662650 210123842 /nfs/dbraw/zinc/12/38/42/210123842.db2.gz MFRMAAWLDFHBQZ-UHFFFAOYSA-N 0 0 379.088 4.221 20 5 GIBDRN COC(=O)c1cc(C(=O)N(c2nc(C)cs2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000014586850 210121636 /nfs/dbraw/zinc/12/16/36/210121636.db2.gz FQRXPIDFCLJCNF-UHFFFAOYSA-N 0 0 397.412 4.125 20 5 GIBDRN Cn1ccnc1Sc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000010423793 209859567 /nfs/dbraw/zinc/85/95/67/209859567.db2.gz WGZLFUYHHUPXBO-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN CCOC(=O)c1sc2cccc(F)c2c1COc1cccnc1[N+](=O)[O-] ZINC000006977868 209712930 /nfs/dbraw/zinc/71/29/30/209712930.db2.gz NBMZRNUHWCHGNZ-UHFFFAOYSA-N 0 0 376.365 4.099 20 5 GIBDRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006022840 209625288 /nfs/dbraw/zinc/62/52/88/209625288.db2.gz MTLYNAUSDDFAAY-UHFFFAOYSA-N 0 0 375.812 4.029 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000005749146 212066130 /nfs/dbraw/zinc/06/61/30/212066130.db2.gz LUJIJJHIFMTJFD-UHFFFAOYSA-N 0 0 384.373 4.187 20 5 GIBDRN Cc1occc1-c1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000022060560 209174857 /nfs/dbraw/zinc/17/48/57/209174857.db2.gz LKRWQURUIWCHJR-UHFFFAOYSA-N 0 0 384.339 4.462 20 5 GIBDRN O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)c1ccc([N+](=O)[O-])o1 ZINC000071987767 211067822 /nfs/dbraw/zinc/06/78/22/211067822.db2.gz JRUCTUNKGWUBTO-HNNXBMFYSA-N 0 0 379.210 4.222 20 5 GIBDRN CC(=O)c1ccc(NCCc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000071969044 211066571 /nfs/dbraw/zinc/06/65/71/211066571.db2.gz SXTTUVCDADIRRB-UHFFFAOYSA-N 0 0 381.201 4.354 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NCc3ccnc(C)n3)cc2[N+](=O)[O-])cc1 ZINC000055837073 823051301 /nfs/dbraw/zinc/05/13/01/823051301.db2.gz GZXJQBAPMXREHQ-UHFFFAOYSA-N 0 0 394.456 4.083 20 5 GIBDRN CC[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175841250 823052624 /nfs/dbraw/zinc/05/26/24/823052624.db2.gz OFSWGEQBTNPSGY-FQEVSTJZSA-N 0 0 389.496 4.427 20 5 GIBDRN Cc1cc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(C)o1 ZINC000570550736 823053038 /nfs/dbraw/zinc/05/30/38/823053038.db2.gz SCPCYRHJUPITHU-KRWDZBQOSA-N 0 0 396.403 4.140 20 5 GIBDRN CC(=O)c1ccc(OCc2nn(-c3ccccc3)c3c2CCC3)c([N+](=O)[O-])c1 ZINC000120737607 823054737 /nfs/dbraw/zinc/05/47/37/823054737.db2.gz ABCHJAMQTBQBSE-UHFFFAOYSA-N 0 0 377.400 4.051 20 5 GIBDRN C[C@H](OCc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000120736742 823054812 /nfs/dbraw/zinc/05/48/12/823054812.db2.gz XDQUUAOGMQPFTK-AWEZNQCLSA-N 0 0 396.365 4.091 20 5 GIBDRN CC(C)OCCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000120760052 823058639 /nfs/dbraw/zinc/05/86/39/823058639.db2.gz VFZXTRDUHFUTBL-UHFFFAOYSA-N 0 0 397.383 4.089 20 5 GIBDRN Cn1c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc2ccccc2c1=O ZINC000570578097 823056861 /nfs/dbraw/zinc/05/68/61/823056861.db2.gz NYDOVLAQSMTYDF-UHFFFAOYSA-N 0 0 391.427 4.036 20 5 GIBDRN CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000055888185 823061366 /nfs/dbraw/zinc/06/13/66/823061366.db2.gz DKPPQZJFVSJEMT-UHFFFAOYSA-N 0 0 396.447 4.023 20 5 GIBDRN Cc1cnc([C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)s1 ZINC000175876201 823061664 /nfs/dbraw/zinc/06/16/64/823061664.db2.gz 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376.210 4.131 20 5 GIBDRN Cc1occc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000017654564 818522517 /nfs/dbraw/zinc/52/25/17/818522517.db2.gz KQKCTSIRBLBXQP-JTQLQIEISA-N 0 0 399.388 4.450 20 5 GIBDRN CCn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460292677 823342557 /nfs/dbraw/zinc/34/25/57/823342557.db2.gz VXIJWINBUMGCCQ-UHFFFAOYSA-N 0 0 395.438 4.105 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccnc(C)c3)cc2[N+](=O)[O-])n1 ZINC000017821005 818528160 /nfs/dbraw/zinc/52/81/60/818528160.db2.gz DMOVGVHGGMOQOJ-UHFFFAOYSA-N 0 0 386.458 4.467 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000460296020 823343818 /nfs/dbraw/zinc/34/38/18/823343818.db2.gz LDUDUGLVXQMNJF-GFCCVEGCSA-N 0 0 387.390 4.349 20 5 GIBDRN CC(C)c1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000018023831 818539840 /nfs/dbraw/zinc/53/98/40/818539840.db2.gz OGFUZDBVENFRPQ-UHFFFAOYSA-N 0 0 393.399 4.062 20 5 GIBDRN CN(Cc1cccs1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018081717 818544083 /nfs/dbraw/zinc/54/40/83/818544083.db2.gz STZXXWINCCAKHX-UHFFFAOYSA-N 0 0 387.383 4.136 20 5 GIBDRN CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc2ccccc2c2cccnc12 ZINC000057887878 823345031 /nfs/dbraw/zinc/34/50/31/823345031.db2.gz SYBXUMSEKBTYIF-UHFFFAOYSA-N 0 0 398.388 4.419 20 5 GIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000018335469 818565272 /nfs/dbraw/zinc/56/52/72/818565272.db2.gz CPCOWPKBDAQWJQ-LLVKDONJSA-N 0 0 377.780 4.075 20 5 GIBDRN CC(=O)N(c1nc(COc2cccnc2[N+](=O)[O-])cs1)c1cccc(C)c1C ZINC000018532938 818571322 /nfs/dbraw/zinc/57/13/22/818571322.db2.gz LZECUOKAHXOGRI-UHFFFAOYSA-N 0 0 398.444 4.327 20 5 GIBDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000460304678 823346927 /nfs/dbraw/zinc/34/69/27/823346927.db2.gz QKHBUBPUPFAWLS-IBGZPJMESA-N 0 0 381.476 4.288 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] ZINC000019005970 818584101 /nfs/dbraw/zinc/58/41/01/818584101.db2.gz QXEXADMLTHERLU-UHFFFAOYSA-N 0 0 384.388 4.287 20 5 GIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019046968 818584807 /nfs/dbraw/zinc/58/48/07/818584807.db2.gz DXDQLIVNOSHTGC-UHFFFAOYSA-N 0 0 389.839 4.174 20 5 GIBDRN O=C(COc1ccccc1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000019163182 818585941 /nfs/dbraw/zinc/58/59/41/818585941.db2.gz XATICQBOBFQLDI-UHFFFAOYSA-N 0 0 380.375 4.342 20 5 GIBDRN CN(C)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000177007317 823348263 /nfs/dbraw/zinc/34/82/63/823348263.db2.gz VHLXXGQTBAXGFH-UHFFFAOYSA-N 0 0 398.644 4.329 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000019681369 818598085 /nfs/dbraw/zinc/59/80/85/818598085.db2.gz KYYZBOYYCKYJBP-KRWDZBQOSA-N 0 0 394.880 4.255 20 5 GIBDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(Cl)ccc1Cl ZINC000409940119 823348801 /nfs/dbraw/zinc/34/88/01/823348801.db2.gz UYNDYKFNEFFXPX-SECBINFHSA-N 0 0 397.214 4.164 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC000460311123 823348926 /nfs/dbraw/zinc/34/89/26/823348926.db2.gz AKAVYRPOMFHYHZ-IBGZPJMESA-N 0 0 393.447 4.223 20 5 GIBDRN CCn1cnnc1-c1ccccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177013954 823349822 /nfs/dbraw/zinc/34/98/22/823349822.db2.gz AMTVNKWKOGWYBN-CQSZACIVSA-N 0 0 394.435 4.064 20 5 GIBDRN COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000020022029 818610322 /nfs/dbraw/zinc/61/03/22/818610322.db2.gz SNCDMUQUTUZUAF-UHFFFAOYSA-N 0 0 387.392 4.042 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000572515427 823352104 /nfs/dbraw/zinc/35/21/04/823352104.db2.gz CIDYJFUHMXSONF-BEFAXECRSA-N 0 0 390.867 4.057 20 5 GIBDRN O=C(Nc1ccccc1)NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122426733 823352493 /nfs/dbraw/zinc/35/24/93/823352493.db2.gz HYGGYHFWPBRMKS-UHFFFAOYSA-N 0 0 388.855 4.034 20 5 GIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 ZINC000021053403 818650117 /nfs/dbraw/zinc/65/01/17/818650117.db2.gz KFLITRJYCQKHRM-UHFFFAOYSA-N 0 0 389.411 4.020 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000021125042 818656078 /nfs/dbraw/zinc/65/60/78/818656078.db2.gz DIKBIHJNNNRPIC-NSHDSACASA-N 0 0 379.210 4.072 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccccc2C)c1 ZINC000122442743 823354981 /nfs/dbraw/zinc/35/49/81/823354981.db2.gz SOPPEQOUCUNLIR-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN Cc1cnn(CCC(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)c1 ZINC000058049488 823357365 /nfs/dbraw/zinc/35/73/65/823357365.db2.gz CUVIFNZOSKFMPX-UHFFFAOYSA-N 0 0 383.455 4.483 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000058050205 823357641 /nfs/dbraw/zinc/35/76/41/823357641.db2.gz JBTPSOKEJUKHFG-UHFFFAOYSA-N 0 0 380.187 4.432 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177044352 823358160 /nfs/dbraw/zinc/35/81/60/823358160.db2.gz LIGSVHRZIHMCEA-CQSZACIVSA-N 0 0 398.463 4.180 20 5 GIBDRN C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000021669618 818723144 /nfs/dbraw/zinc/72/31/44/818723144.db2.gz OXOXBENEFJPLBK-SJKOYZFVSA-N 0 0 398.444 4.089 20 5 GIBDRN O=C(COC(=O)CCc1ccccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021749306 818733583 /nfs/dbraw/zinc/73/35/83/818733583.db2.gz CXJRWSKGULWUQX-UHFFFAOYSA-N 0 0 397.214 4.016 20 5 GIBDRN CCc1nccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000572548570 823358924 /nfs/dbraw/zinc/35/89/24/823358924.db2.gz NDKKVHXUKAMKFN-QGZVFWFLSA-N 0 0 395.438 4.224 20 5 GIBDRN CC[C@H](C)NC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767937 818735735 /nfs/dbraw/zinc/73/57/35/818735735.db2.gz ZBMPWPFMFNWGHQ-UONOGXRCSA-N 0 0 378.501 4.431 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000058072900 823359553 /nfs/dbraw/zinc/35/95/53/823359553.db2.gz STXXONQSMBUHIA-GOSISDBHSA-N 0 0 383.448 4.078 20 5 GIBDRN O=C(CCCOCc1ccccc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460345890 823359649 /nfs/dbraw/zinc/35/96/49/823359649.db2.gz HYFKTUQOJUIVOX-FQEVSTJZSA-N 0 0 386.473 4.166 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000122477492 823360175 /nfs/dbraw/zinc/36/01/75/823360175.db2.gz DPQDUTXPRLRXQZ-UHFFFAOYSA-N 0 0 384.310 4.105 20 5 GIBDRN CCOc1ccc(NC(=O)CNc2cc(C)c(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000021890642 818752067 /nfs/dbraw/zinc/75/20/67/818752067.db2.gz APVXOMSAROOJIX-UHFFFAOYSA-N 0 0 393.827 4.015 20 5 GIBDRN COc1ccc2cc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000021934316 818756724 /nfs/dbraw/zinc/75/67/24/818756724.db2.gz ZQJQPLYESARQTE-UHFFFAOYSA-N 0 0 380.400 4.037 20 5 GIBDRN Cc1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000409978829 823360879 /nfs/dbraw/zinc/36/08/79/823360879.db2.gz JSECOYNTGPHSEK-UHFFFAOYSA-N 0 0 395.440 4.398 20 5 GIBDRN C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)c1cccc([N+](=O)[O-])c1 ZINC000022028587 818765421 /nfs/dbraw/zinc/76/54/21/818765421.db2.gz INBQBVTVWRHVKT-BZNIZROVSA-N 0 0 385.401 4.344 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000177061944 823362236 /nfs/dbraw/zinc/36/22/36/823362236.db2.gz JTDCXKQWYAOAIU-MRXNPFEDSA-N 0 0 395.337 4.219 20 5 GIBDRN O=C([C@H]1CCN(c2ccccc2Cl)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000572568551 823362806 /nfs/dbraw/zinc/36/28/06/823362806.db2.gz YXSSTNQBFDLLLR-INIZCTEOSA-N 0 0 399.878 4.266 20 5 GIBDRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359297 823363466 /nfs/dbraw/zinc/36/34/66/823363466.db2.gz NRGMELSJYPAYCP-KZULUSFZSA-N 0 0 392.864 4.290 20 5 GIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000022444417 818807860 /nfs/dbraw/zinc/80/78/60/818807860.db2.gz MRKOHEMOTSDFKI-CABCVRRESA-N 0 0 392.411 4.171 20 5 GIBDRN COc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022465628 818810895 /nfs/dbraw/zinc/81/08/95/818810895.db2.gz VITCMYZGZBTJBZ-SECBINFHSA-N 0 0 384.219 4.349 20 5 GIBDRN CCCCSc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000022490015 818816044 /nfs/dbraw/zinc/81/60/44/818816044.db2.gz WWCOAZKZHNEIEL-UHFFFAOYSA-N 0 0 398.535 4.378 20 5 GIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000022501351 818818700 /nfs/dbraw/zinc/81/87/00/818818700.db2.gz PZZZOCWAZHIIBW-GJZGRUSLSA-N 0 0 392.411 4.171 20 5 GIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)c1ccc(F)cc1F ZINC000022536550 818821793 /nfs/dbraw/zinc/82/17/93/818821793.db2.gz HSYGCYZYONBNIZ-UHFFFAOYSA-N 0 0 396.418 4.340 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000022547539 818823647 /nfs/dbraw/zinc/82/36/47/818823647.db2.gz AIWHSWLJLXKZQB-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN O=C(Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000022593832 818831395 /nfs/dbraw/zinc/83/13/95/818831395.db2.gz IIAFDJKVWSLLAQ-UHFFFAOYSA-N 0 0 385.376 4.300 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000022736695 818853701 /nfs/dbraw/zinc/85/37/01/818853701.db2.gz MAZRZTJYPXRIAJ-ZIAGYGMSSA-N 0 0 396.399 4.072 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000022736477 818853785 /nfs/dbraw/zinc/85/37/85/818853785.db2.gz MCLWBUAICPMJDJ-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000022736693 818853853 /nfs/dbraw/zinc/85/38/53/818853853.db2.gz MAZRZTJYPXRIAJ-UONOGXRCSA-N 0 0 396.399 4.072 20 5 GIBDRN COc1ccc(N(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cn1 ZINC000058270930 823373083 /nfs/dbraw/zinc/37/30/83/823373083.db2.gz LVWIGTZLQFMWAR-UHFFFAOYSA-N 0 0 389.477 4.413 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000022793136 818861389 /nfs/dbraw/zinc/86/13/89/818861389.db2.gz QAVFUBROJVWAIH-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1C(F)(F)F ZINC000022965785 818881294 /nfs/dbraw/zinc/88/12/94/818881294.db2.gz PEGGWXZMZZTVIK-UHFFFAOYSA-N 0 0 392.337 4.296 20 5 GIBDRN Cc1c(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000177098044 823370763 /nfs/dbraw/zinc/37/07/63/823370763.db2.gz XNIBEBDYKOMFKK-IBGZPJMESA-N 0 0 389.427 4.266 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)cc1 ZINC000572623917 823370760 /nfs/dbraw/zinc/37/07/60/823370760.db2.gz INLHHYXIIBCRHW-UHFFFAOYSA-N 0 0 396.147 4.276 20 5 GIBDRN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000023013907 818887496 /nfs/dbraw/zinc/88/74/96/818887496.db2.gz RHDONUNCLOQAHB-LJQANCHMSA-N 0 0 379.460 4.345 20 5 GIBDRN O=C(NCc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000122561938 823372913 /nfs/dbraw/zinc/37/29/13/823372913.db2.gz JVGIZELIGRVDKZ-UHFFFAOYSA-N 0 0 387.592 4.080 20 5 GIBDRN Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000460392052 823373973 /nfs/dbraw/zinc/37/39/73/823373973.db2.gz WTCUKWOXQCMVIT-OXJNMPFZSA-N 0 0 382.460 4.169 20 5 GIBDRN CC(=O)NCc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1 ZINC000023328893 818923906 /nfs/dbraw/zinc/92/39/06/818923906.db2.gz MCQUBIGFTVXGBG-UHFFFAOYSA-N 0 0 384.435 4.381 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000460392896 823374350 /nfs/dbraw/zinc/37/43/50/823374350.db2.gz LWRMHZOUKILDME-UHFFFAOYSA-N 0 0 383.173 4.147 20 5 GIBDRN CSc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-] ZINC000023533881 818956565 /nfs/dbraw/zinc/95/65/65/818956565.db2.gz FXFABYYHOZXLSP-UHFFFAOYSA-N 0 0 397.456 4.478 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2Br)c1 ZINC000023572891 818959792 /nfs/dbraw/zinc/95/97/92/818959792.db2.gz JUBKBJXFOCGUKG-UHFFFAOYSA-N 0 0 395.278 4.351 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(OCc2cccnc2)c1 ZINC000122588012 823377339 /nfs/dbraw/zinc/37/73/39/823377339.db2.gz PORADPHHMDXONZ-UHFFFAOYSA-N 0 0 377.400 4.140 20 5 GIBDRN COc1ccc2cc(CN(C)Cn3ncc4cc([N+](=O)[O-])ccc43)ccc2c1 ZINC000023853095 818986701 /nfs/dbraw/zinc/98/67/01/818986701.db2.gz JATPDNKASKRMHI-UHFFFAOYSA-N 0 0 376.416 4.196 20 5 GIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000122597421 823378976 /nfs/dbraw/zinc/37/89/76/823378976.db2.gz VJKJFYPBBCKEQE-CYBMUJFWSA-N 0 0 384.841 4.147 20 5 GIBDRN COc1cccc([C@@H](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000177133283 823379180 /nfs/dbraw/zinc/37/91/80/823379180.db2.gz RHULFZVLIINBAR-NSHDSACASA-N 0 0 380.347 4.337 20 5 GIBDRN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n[nH]2)cc1 ZINC000024000787 819005637 /nfs/dbraw/zinc/00/56/37/819005637.db2.gz SPSQODPRCMHTHS-ZDUSSCGKSA-N 0 0 397.460 4.116 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000024010351 819007000 /nfs/dbraw/zinc/00/70/00/819007000.db2.gz UNRCXRRSOUVEQL-GFCCVEGCSA-N 0 0 388.445 4.028 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000024249074 819039352 /nfs/dbraw/zinc/03/93/52/819039352.db2.gz HFQVTIRAAOKVPS-AWEZNQCLSA-N 0 0 378.837 4.224 20 5 GIBDRN Cc1c(Cc2noc(-c3cc(-c4ccc(F)cc4)on3)n2)cccc1[N+](=O)[O-] ZINC000572689922 823384022 /nfs/dbraw/zinc/38/40/22/823384022.db2.gz UFAVFCZYKQCSRW-UHFFFAOYSA-N 0 0 380.335 4.338 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000024371095 819051626 /nfs/dbraw/zinc/05/16/26/819051626.db2.gz SAVKRKBKCVPGQK-UHFFFAOYSA-N 0 0 375.384 4.349 20 5 GIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000024392169 819053852 /nfs/dbraw/zinc/05/38/52/819053852.db2.gz KRBVPIBXWZYNGG-GOSISDBHSA-N 0 0 384.432 4.126 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccs1)Cc1cccs1 ZINC000024463441 819059920 /nfs/dbraw/zinc/05/99/20/819059920.db2.gz GGJNLJTUJOGYQR-UHFFFAOYSA-N 0 0 388.470 4.326 20 5 GIBDRN Cn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 ZINC000024472526 819062070 /nfs/dbraw/zinc/06/20/70/819062070.db2.gz IUDLWYPMDNXRRB-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN C[C@@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024497589 819064671 /nfs/dbraw/zinc/06/46/71/819064671.db2.gz UOUGUTIIDJEPLW-SNVBAGLBSA-N 0 0 388.376 4.133 20 5 GIBDRN CC(C)c1nnc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn21 ZINC000189278234 823385479 /nfs/dbraw/zinc/38/54/79/823385479.db2.gz FGVLUMVLESYQOJ-UHFFFAOYSA-N 0 0 381.417 4.228 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000122638299 823385565 /nfs/dbraw/zinc/38/55/65/823385565.db2.gz ZHFQZIRDJCACGY-IFXJQAMLSA-N 0 0 388.851 4.075 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3C[C@@H]4CCC[C@@H]43)n2CCc2ccccc2)cc1 ZINC000460431567 823387077 /nfs/dbraw/zinc/38/70/77/823387077.db2.gz YNEOSYZZSSNWFW-ICSRJNTNSA-N 0 0 389.459 4.085 20 5 GIBDRN CC[C@H](C)[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2[nH]1 ZINC000410088357 823387559 /nfs/dbraw/zinc/38/75/59/823387559.db2.gz ZPXHPYRJCQSXPN-KPZWWZAWSA-N 0 0 391.431 4.470 20 5 GIBDRN O=C(c1ccccc1)c1ccc(N[C@@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000460445224 823391758 /nfs/dbraw/zinc/39/17/58/823391758.db2.gz SFLIUWPMXVHXHN-HXUWFJFHSA-N 0 0 399.410 4.145 20 5 GIBDRN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000410133317 823398408 /nfs/dbraw/zinc/39/84/08/823398408.db2.gz HBNSFHKYQVQCRV-GFCCVEGCSA-N 0 0 396.369 4.086 20 5 GIBDRN COc1cccc(F)c1[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000460460154 823397097 /nfs/dbraw/zinc/39/70/97/823397097.db2.gz HMOLETLLUYMOLU-NSHDSACASA-N 0 0 396.802 4.042 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000410140511 823400007 /nfs/dbraw/zinc/40/00/07/823400007.db2.gz RIJVEGPMUSSNTG-MQMHXKEQSA-N 0 0 389.249 4.342 20 5 GIBDRN C[C@@H](CCc1cccn1C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000460471531 823400681 /nfs/dbraw/zinc/40/06/81/823400681.db2.gz NSDUFLZTXPGTEA-INIZCTEOSA-N 0 0 393.443 4.477 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460481925 823403731 /nfs/dbraw/zinc/40/37/31/823403731.db2.gz WPXPSHRJOBHJRA-HOTGVXAUSA-N 0 0 378.350 4.076 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000460473635 823400890 /nfs/dbraw/zinc/40/08/90/823400890.db2.gz RUZUDJYGSYXAIQ-CQSZACIVSA-N 0 0 394.880 4.440 20 5 GIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000058501836 823401019 /nfs/dbraw/zinc/40/10/19/823401019.db2.gz YQLDOIHRGAGYBV-UHFFFAOYSA-N 0 0 396.468 4.316 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122726391 823401199 /nfs/dbraw/zinc/40/11/99/823401199.db2.gz IUXVQNZDQDMVGE-DEYYWGMASA-N 0 0 389.477 4.197 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cc1F ZINC000189365084 823401705 /nfs/dbraw/zinc/40/17/05/823401705.db2.gz AECMXADKIUMUSA-UHFFFAOYSA-N 0 0 398.843 4.056 20 5 GIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000460475789 823401762 /nfs/dbraw/zinc/40/17/62/823401762.db2.gz KXFCMDDFRQQAME-NEPJUHHUSA-N 0 0 378.425 4.101 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000410150673 823402735 /nfs/dbraw/zinc/40/27/35/823402735.db2.gz MTUJFPQPZZUGSW-IIAWOOMASA-N 0 0 388.851 4.386 20 5 GIBDRN COc1ccc2cc([C@H](C)C(=O)NCCc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000460486147 823405103 /nfs/dbraw/zinc/40/51/03/823405103.db2.gz FUKZFKPGGOWAEO-HNNXBMFYSA-N 0 0 378.428 4.219 20 5 GIBDRN CCOc1cc(C(=O)Nc2cccc(C(C)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000189383909 823405340 /nfs/dbraw/zinc/40/53/40/823405340.db2.gz MVJKPPLBKFLOHC-UHFFFAOYSA-N 0 0 380.347 4.366 20 5 GIBDRN O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000460492607 823406970 /nfs/dbraw/zinc/40/69/70/823406970.db2.gz QEUMIJOGDSSUPA-UHFFFAOYSA-N 0 0 394.337 4.464 20 5 GIBDRN COCc1c(C(=O)NCCc2ccccc2[N+](=O)[O-])sc2cccc(F)c21 ZINC000460493377 823407028 /nfs/dbraw/zinc/40/70/28/823407028.db2.gz QWXZYKRMRPVIJF-UHFFFAOYSA-N 0 0 388.420 4.068 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000460508197 823412096 /nfs/dbraw/zinc/41/20/96/823412096.db2.gz JGOJOSJDQQNVGZ-UONOGXRCSA-N 0 0 379.243 4.364 20 5 GIBDRN CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000572886670 823414032 /nfs/dbraw/zinc/41/40/32/823414032.db2.gz ZFMVXHHABSNSEE-SYGIOELKSA-N 0 0 392.415 4.275 20 5 GIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000122776422 823410563 /nfs/dbraw/zinc/41/05/63/823410563.db2.gz XBIRZYZGYQVCAK-ZDUSSCGKSA-N 0 0 385.395 4.001 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000122797773 823414092 /nfs/dbraw/zinc/41/40/92/823414092.db2.gz TUOMDIGXUGMFFW-GOSISDBHSA-N 0 0 385.420 4.371 20 5 GIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000410203376 823418841 /nfs/dbraw/zinc/41/88/41/823418841.db2.gz GOGARMJLPOUVJI-AWEZNQCLSA-N 0 0 396.472 4.423 20 5 GIBDRN CC(=O)CCc1ccc(OCCC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC000058637100 823421559 /nfs/dbraw/zinc/42/15/59/823421559.db2.gz IVGHATFXWWUZQK-UHFFFAOYSA-N 0 0 385.416 4.108 20 5 GIBDRN CCn1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cccnc1 ZINC000122859878 823424775 /nfs/dbraw/zinc/42/47/75/823424775.db2.gz GPMKXAHICNWTGD-UHFFFAOYSA-N 0 0 375.841 4.214 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CC[C@](F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000572941439 823424339 /nfs/dbraw/zinc/42/43/39/823424339.db2.gz IVTZBAVGFCYLSQ-VBKZILBWSA-N 0 0 389.402 4.384 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410208549 823420181 /nfs/dbraw/zinc/42/01/81/823420181.db2.gz ZSKQBXJWXXQJPB-UHFFFAOYSA-N 0 0 376.815 4.278 20 5 GIBDRN CCn1c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)nnc1-c1cccnc1 ZINC000122862549 823425171 /nfs/dbraw/zinc/42/51/71/823425171.db2.gz KITLVRIQOITUGG-UHFFFAOYSA-N 0 0 399.476 4.348 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122866163 823425840 /nfs/dbraw/zinc/42/58/40/823425840.db2.gz DUXBITZFGSIDHD-KSSFIOAISA-N 0 0 392.814 4.116 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000058666445 823426469 /nfs/dbraw/zinc/42/64/69/823426469.db2.gz GAZLFXUFDPKUTP-UHFFFAOYSA-N 0 0 382.608 4.323 20 5 GIBDRN CCOc1ccc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000460550092 823428617 /nfs/dbraw/zinc/42/86/17/823428617.db2.gz JSZFJLULIKGYNQ-KKSFZXQISA-N 0 0 398.459 4.213 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(F)cc3F)CCC2)c1 ZINC000572987727 823430345 /nfs/dbraw/zinc/43/03/45/823430345.db2.gz CVILIAGJNGIYOU-UHFFFAOYSA-N 0 0 376.359 4.081 20 5 GIBDRN O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3c(F)cccc3F)CC2)s1 ZINC000572996234 823431338 /nfs/dbraw/zinc/43/13/38/823431338.db2.gz NSHPJCDPHIZKBD-UHFFFAOYSA-N 0 0 376.388 4.262 20 5 GIBDRN CCOc1ccc(-c2nc(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000058690514 823432204 /nfs/dbraw/zinc/43/22/04/823432204.db2.gz USXLQTJKSVAUEY-UHFFFAOYSA-N 0 0 397.456 4.323 20 5 GIBDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000460562243 823433903 /nfs/dbraw/zinc/43/39/03/823433903.db2.gz YRSGIKLMKWZDIP-PVCYVWKFSA-N 0 0 380.872 4.448 20 5 GIBDRN Cc1c(NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)cccc1[N+](=O)[O-] ZINC000024749898 819872985 /nfs/dbraw/zinc/87/29/85/819872985.db2.gz HKUZAQCKTWTKOB-UHFFFAOYSA-N 0 0 381.266 4.021 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2OC(F)(F)F)c1 ZINC000024867078 819886962 /nfs/dbraw/zinc/88/69/62/819886962.db2.gz QTDSXCGESHMHND-UHFFFAOYSA-N 0 0 386.351 4.145 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1[N+](=O)[O-] ZINC000025013575 819909855 /nfs/dbraw/zinc/90/98/55/819909855.db2.gz UAHVOAPLVKKHFZ-UHFFFAOYSA-N 0 0 380.404 4.048 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000025099976 819928681 /nfs/dbraw/zinc/92/86/81/819928681.db2.gz SRIBDHGPEPSWBE-GJZGRUSLSA-N 0 0 378.469 4.337 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000025151944 819936517 /nfs/dbraw/zinc/93/65/17/819936517.db2.gz DUXSJVAIBPXVEZ-UHFFFAOYSA-N 0 0 383.389 4.112 20 5 GIBDRN COc1ccc(C[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000122965229 823440802 /nfs/dbraw/zinc/44/08/02/823440802.db2.gz 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O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(C2CC2)cs1 ZINC000025563507 820003584 /nfs/dbraw/zinc/00/35/84/820003584.db2.gz LBYFORHJAFVOOV-UHFFFAOYSA-N 0 0 375.453 4.127 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2csc(-c3ccco3)n2)c1 ZINC000025632323 820008273 /nfs/dbraw/zinc/00/82/73/820008273.db2.gz BOERBGDMRLWOFS-UHFFFAOYSA-N 0 0 376.415 4.390 20 5 GIBDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122999985 823446089 /nfs/dbraw/zinc/44/60/89/823446089.db2.gz KGYAPLZQJMMUTN-UHFFFAOYSA-N 0 0 375.787 4.070 20 5 GIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000025931921 820041439 /nfs/dbraw/zinc/04/14/39/820041439.db2.gz RNNKGYIBTYEDHG-UHFFFAOYSA-N 0 0 382.247 4.362 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1SC ZINC000410284738 823448562 /nfs/dbraw/zinc/44/85/62/823448562.db2.gz PUXYINBDYTXEMZ-LBPRGKRZSA-N 0 0 390.436 4.094 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)c3ncccc23)cc([N+](=O)[O-])c1 ZINC000026081924 820055836 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381.476 4.393 20 5 GIBDRN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1Cl ZINC000026347991 820087153 /nfs/dbraw/zinc/08/71/53/820087153.db2.gz INLBQFWNYGPIAO-NSHDSACASA-N 0 0 394.258 4.142 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)no1 ZINC000123046635 823452721 /nfs/dbraw/zinc/45/27/21/823452721.db2.gz OQLZCBWZJJYCMH-UHFFFAOYSA-N 0 0 393.403 4.150 20 5 GIBDRN CCCCCc1nc2ccccc2n1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711524 820135686 /nfs/dbraw/zinc/13/56/86/820135686.db2.gz WSJJODRSVDIFHH-KRWDZBQOSA-N 0 0 383.448 4.117 20 5 GIBDRN CC(C)c1ccc([C@@H](NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000026806453 820147120 /nfs/dbraw/zinc/14/71/20/820147120.db2.gz OJZMIAWHIQAXDO-NRFANRHFSA-N 0 0 398.459 4.389 20 5 GIBDRN O=C(OCCCc1nc(-c2cccs2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026808840 820147976 /nfs/dbraw/zinc/14/79/76/820147976.db2.gz XRFQGJHLTUVLIH-UHFFFAOYSA-N 0 0 393.808 4.149 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000026886340 820158583 /nfs/dbraw/zinc/15/85/83/820158583.db2.gz CENDSZLDOANOQI-OAHLLOKOSA-N 0 0 382.489 4.083 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000026888164 820159213 /nfs/dbraw/zinc/15/92/13/820159213.db2.gz XITJKRLEVKKOCI-OAHLLOKOSA-N 0 0 382.489 4.083 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cccc1[N+](=O)[O-] ZINC000123075392 823457950 /nfs/dbraw/zinc/45/79/50/823457950.db2.gz XWOJKNHKHPWGMQ-LJQANCHMSA-N 0 0 399.422 4.029 20 5 GIBDRN O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1ccc([N+](=O)[O-])s1 ZINC000460628476 823460656 /nfs/dbraw/zinc/46/06/56/823460656.db2.gz USLJAEUYQSOVCF-UHFFFAOYSA-N 0 0 382.376 4.387 20 5 GIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccsc2C1 ZINC000460630141 823460957 /nfs/dbraw/zinc/46/09/57/823460957.db2.gz NMGFQGVLPZJMOQ-UHFFFAOYSA-N 0 0 383.477 4.134 20 5 GIBDRN CC(C)[C@@H](C)NC(=O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000123094016 823461474 /nfs/dbraw/zinc/46/14/74/823461474.db2.gz 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O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnccc1-c1cccc(F)c1 ZINC000177532095 823484010 /nfs/dbraw/zinc/48/40/10/823484010.db2.gz HITXJNAIBUUFHW-UHFFFAOYSA-N 0 0 381.363 4.204 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000029795625 820520388 /nfs/dbraw/zinc/52/03/88/820520388.db2.gz DPLQHVQLOZGXRL-UHFFFAOYSA-N 0 0 386.351 4.145 20 5 GIBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000029891161 820540551 /nfs/dbraw/zinc/54/05/51/820540551.db2.gz ZIWSFNBKWMXKPY-UHFFFAOYSA-N 0 0 393.468 4.467 20 5 GIBDRN COc1cc(C(=O)NCCCCc2ccc(Cl)s2)c([N+](=O)[O-])cc1OC ZINC000573392331 823487327 /nfs/dbraw/zinc/48/73/27/823487327.db2.gz MTVPUVJZLUZNPX-UHFFFAOYSA-N 0 0 398.868 4.080 20 5 GIBDRN Cc1ccc(Sc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)cc1C ZINC000059265820 823488180 /nfs/dbraw/zinc/48/81/80/823488180.db2.gz CQQHQKNNCZLBQS-UHFFFAOYSA-N 0 0 382.445 4.198 20 5 GIBDRN CSc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1[N+](=O)[O-] ZINC000189791619 823495283 /nfs/dbraw/zinc/49/52/83/823495283.db2.gz CBVNMAJNAPOOLX-UHFFFAOYSA-N 0 0 384.457 4.025 20 5 GIBDRN COc1cccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1OC ZINC000059393996 823495318 /nfs/dbraw/zinc/49/53/18/823495318.db2.gz NWXHWCDECOEWBB-UHFFFAOYSA-N 0 0 392.411 4.455 20 5 GIBDRN CNc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000030301202 820597627 /nfs/dbraw/zinc/59/76/27/820597627.db2.gz PEUWVQZVNYHZAD-UHFFFAOYSA-N 0 0 393.365 4.460 20 5 GIBDRN CCSCc1ccnc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123285573 823490697 /nfs/dbraw/zinc/49/06/97/823490697.db2.gz YBRPGFNPCIIJDM-UHFFFAOYSA-N 0 0 383.477 4.256 20 5 GIBDRN CC[C@H]1CCc2nc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)sc2C1 ZINC000059318002 823491494 /nfs/dbraw/zinc/49/14/94/823491494.db2.gz XRDGOHNYRKTKNY-LBPRGKRZSA-N 0 0 397.460 4.004 20 5 GIBDRN CCCCn1c(=O)c2ccccc2nc1SCCOc1ccccc1[N+](=O)[O-] ZINC000059409799 823495559 /nfs/dbraw/zinc/49/55/59/823495559.db2.gz LNWKMEYREXXDGW-UHFFFAOYSA-N 0 0 399.472 4.276 20 5 GIBDRN CC(=O)NC[C@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)CC(C)C ZINC000410435992 823495553 /nfs/dbraw/zinc/49/55/53/823495553.db2.gz AMUXOBGLNDDPGG-KRWDZBQOSA-N 0 0 389.496 4.059 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000123324560 823496462 /nfs/dbraw/zinc/49/64/62/823496462.db2.gz PDZASMZFDQXBNI-UHFFFAOYSA-N 0 0 378.432 4.165 20 5 GIBDRN CC(C)C(=O)Nc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)ccn1 ZINC000410451434 823496697 /nfs/dbraw/zinc/49/66/97/823496697.db2.gz WMWQFKOXXIFCLY-UHFFFAOYSA-N 0 0 396.447 4.174 20 5 GIBDRN CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000030860598 820695575 /nfs/dbraw/zinc/69/55/75/820695575.db2.gz XVYFWXQEHXGRLC-UHFFFAOYSA-N 0 0 393.365 4.142 20 5 GIBDRN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410474309 823498340 /nfs/dbraw/zinc/49/83/40/823498340.db2.gz WYXAEUPVEBVTNB-PXAZEXFGSA-N 0 0 394.349 4.216 20 5 GIBDRN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410474310 823498426 /nfs/dbraw/zinc/49/84/26/823498426.db2.gz WYXAEUPVEBVTNB-SJCJKPOMSA-N 0 0 394.349 4.216 20 5 GIBDRN C[C@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000177596844 823498519 /nfs/dbraw/zinc/49/85/19/823498519.db2.gz HKJKITFEVFCQNU-ZDUSSCGKSA-N 0 0 376.372 4.269 20 5 GIBDRN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000410485630 823499000 /nfs/dbraw/zinc/49/90/00/823499000.db2.gz PYFXRTOQLSCMSJ-OAHLLOKOSA-N 0 0 378.350 4.243 20 5 GIBDRN CC(C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccnc1 ZINC000123390324 823504484 /nfs/dbraw/zinc/50/44/84/823504484.db2.gz VUGHTPQBIWCRNK-IBGZPJMESA-N 0 0 382.464 4.104 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000031136016 820749991 /nfs/dbraw/zinc/74/99/91/820749991.db2.gz WMYGTHMLICKHSO-LBPRGKRZSA-N 0 0 385.445 4.063 20 5 GIBDRN Cc1cc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000031212464 820770781 /nfs/dbraw/zinc/77/07/81/820770781.db2.gz 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C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000031378916 820800268 /nfs/dbraw/zinc/80/02/68/820800268.db2.gz NLWKDSGZUFKKEX-QGZVFWFLSA-N 0 0 390.439 4.310 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000031398938 820804146 /nfs/dbraw/zinc/80/41/46/820804146.db2.gz VTWCPJFTNKZWEX-LBPRGKRZSA-N 0 0 399.472 4.156 20 5 GIBDRN O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000031471163 820815510 /nfs/dbraw/zinc/81/55/10/820815510.db2.gz SMDMPXOSAMFAQW-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])cc1F ZINC000410622464 823506895 /nfs/dbraw/zinc/50/68/95/823506895.db2.gz IJOAWFAYEQUARU-UHFFFAOYSA-N 0 0 394.349 4.220 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000031499032 820818609 /nfs/dbraw/zinc/81/86/09/820818609.db2.gz LWKGAHFOFIDXAY-KRWDZBQOSA-N 0 0 389.452 4.279 20 5 GIBDRN O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000031537563 820822838 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398.444 4.383 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OC ZINC000031692944 820846505 /nfs/dbraw/zinc/84/65/05/820846505.db2.gz UXNKTVNFGVAVOI-LBPRGKRZSA-N 0 0 390.461 4.215 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(C(F)(F)F)cn3)n2)c1 ZINC000031845094 820866944 /nfs/dbraw/zinc/86/69/44/820866944.db2.gz BQJXHTKWHSAUIU-UHFFFAOYSA-N 0 0 382.323 4.351 20 5 GIBDRN Cc1ccc(-c2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cc1 ZINC000031843870 820866981 /nfs/dbraw/zinc/86/69/81/820866981.db2.gz IVKNZLRGAKDZOE-UHFFFAOYSA-N 0 0 395.400 4.296 20 5 GIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000177665176 823510589 /nfs/dbraw/zinc/51/05/89/823510589.db2.gz GHTRMWACNLFWAH-UHFFFAOYSA-N 0 0 390.443 4.153 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000031877465 820869344 /nfs/dbraw/zinc/86/93/44/820869344.db2.gz ZDFHJNKBYWRZSH-UHFFFAOYSA-N 0 0 391.355 4.014 20 5 GIBDRN Cc1ccc(Cc2cnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc1F ZINC000031956587 820879298 /nfs/dbraw/zinc/87/92/98/820879298.db2.gz GXVKYFJWIYLJAH-UHFFFAOYSA-N 0 0 385.420 4.271 20 5 GIBDRN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](c2ccsc2)O1 ZINC000177688683 823513715 /nfs/dbraw/zinc/51/37/15/823513715.db2.gz DUKRDCQVFMGALF-IAQYHMDHSA-N 0 0 388.470 4.473 20 5 GIBDRN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](c2ccsc2)O1 ZINC000177688694 823513786 /nfs/dbraw/zinc/51/37/86/823513786.db2.gz DUKRDCQVFMGALF-XHDPSFHLSA-N 0 0 388.470 4.473 20 5 GIBDRN O=C(NCc1cccc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000032362686 820925163 /nfs/dbraw/zinc/92/51/63/820925163.db2.gz ZMCCNRTUWDEROU-UHFFFAOYSA-N 0 0 393.355 4.225 20 5 GIBDRN COc1cc(C(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)c([N+](=O)[O-])cc1F ZINC000410811205 823515799 /nfs/dbraw/zinc/51/57/99/823515799.db2.gz QTAAFTMCULZVDX-UHFFFAOYSA-N 0 0 394.786 4.362 20 5 GIBDRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000032517166 820964001 /nfs/dbraw/zinc/96/40/01/820964001.db2.gz YZDZYHHHBFOSGN-ZBFHGGJFSA-N 0 0 395.459 4.408 20 5 GIBDRN O=C(Nc1ccccc1N1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032658149 820985354 /nfs/dbraw/zinc/98/53/54/820985354.db2.gz KPZXUONXNICOCB-UHFFFAOYSA-N 0 0 391.431 4.023 20 5 GIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000032676752 820988024 /nfs/dbraw/zinc/98/80/24/820988024.db2.gz XYFIYZZFGPSWCR-OAHLLOKOSA-N 0 0 377.400 4.060 20 5 GIBDRN O=C(Nc1cccc(C(F)(F)F)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000123556003 823521026 /nfs/dbraw/zinc/52/10/26/823521026.db2.gz NVPCPTYFSNOKQO-UHFFFAOYSA-N 0 0 380.326 4.205 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC(C)(O)CC3)cc2[N+](=O)[O-])cc1 ZINC000177756713 823521406 /nfs/dbraw/zinc/52/14/06/823521406.db2.gz DSGMHWFIXCUPST-UHFFFAOYSA-N 0 0 386.473 4.041 20 5 GIBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033001995 821025499 /nfs/dbraw/zinc/02/54/99/821025499.db2.gz ZYPIKNDFXPQMHR-CQSZACIVSA-N 0 0 390.399 4.360 20 5 GIBDRN CSc1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1[N+](=O)[O-] ZINC000460822997 823522437 /nfs/dbraw/zinc/52/24/37/823522437.db2.gz HVZNAIKBFRVUNY-UHFFFAOYSA-N 0 0 393.222 4.191 20 5 GIBDRN COc1cc(C(=O)NC(C)(C)c2ccccc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000410928029 823522788 /nfs/dbraw/zinc/52/27/88/823522788.db2.gz VFIKVGUBTBALRE-UHFFFAOYSA-N 0 0 398.337 4.009 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000033099576 821034121 /nfs/dbraw/zinc/03/41/21/821034121.db2.gz LTWSTEQTVLTPIL-LIRRHRJNSA-N 0 0 384.480 4.107 20 5 GIBDRN CSc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] ZINC000033136653 821037159 /nfs/dbraw/zinc/03/71/59/821037159.db2.gz DZAHUCDFZUSZFA-UHFFFAOYSA-N 0 0 382.401 4.151 20 5 GIBDRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCc1ccncc1 ZINC000033176808 821043364 /nfs/dbraw/zinc/04/33/64/821043364.db2.gz RGLUGJYKEPYHBW-UHFFFAOYSA-N 0 0 393.399 4.138 20 5 GIBDRN CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000177798341 823527390 /nfs/dbraw/zinc/52/73/90/823527390.db2.gz UFJPUCSSSVZORF-NRFANRHFSA-N 0 0 392.459 4.207 20 5 GIBDRN Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000036330105 821071193 /nfs/dbraw/zinc/07/11/93/821071193.db2.gz ZQETVTVHWIMBMZ-LJQANCHMSA-N 0 0 387.867 4.124 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000036784282 821082879 /nfs/dbraw/zinc/08/28/79/821082879.db2.gz MZUNNFAYWCDNPX-NSHDSACASA-N 0 0 378.812 4.147 20 5 GIBDRN O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc([N+](=O)[O-])ccc1Cl ZINC000038748116 821100275 /nfs/dbraw/zinc/10/02/75/821100275.db2.gz DMDIQAQIQUANKF-UHFFFAOYSA-N 0 0 393.733 4.111 20 5 GIBDRN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000039563091 821116056 /nfs/dbraw/zinc/11/60/56/821116056.db2.gz SRFAHXKWFVCKCI-UHFFFAOYSA-N 0 0 391.758 4.393 20 5 GIBDRN CCc1[nH]nc(C(=O)Nc2ccc3cc(Br)ccc3c2)c1[N+](=O)[O-] ZINC000177820237 823530604 /nfs/dbraw/zinc/53/06/04/823530604.db2.gz CUFNGEGTHKDYSM-UHFFFAOYSA-N 0 0 389.209 4.048 20 5 GIBDRN COc1ccc(OC)c(CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)c1 ZINC000123677273 823530883 /nfs/dbraw/zinc/53/08/83/823530883.db2.gz LMVOPXAHBRANNT-UHFFFAOYSA-N 0 0 385.420 4.117 20 5 GIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000123728085 823535523 /nfs/dbraw/zinc/53/55/23/823535523.db2.gz XKENLOXTHNFIBM-NSHDSACASA-N 0 0 395.228 4.248 20 5 GIBDRN Cc1nc2ccccc2n1CCCCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000460866965 823532343 /nfs/dbraw/zinc/53/23/43/823532343.db2.gz VUEPTZJTOSBXLU-UHFFFAOYSA-N 0 0 392.257 4.082 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2cccc3ccccc32)cc1C ZINC000060505785 823535610 /nfs/dbraw/zinc/53/56/10/823535610.db2.gz XIYBGDZSEVYDMX-UHFFFAOYSA-N 0 0 384.457 4.186 20 5 GIBDRN CN(Cc1ccc(Br)o1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000041395702 821186691 /nfs/dbraw/zinc/18/66/91/821186691.db2.gz CZJMEVIXOOGMDH-UHFFFAOYSA-N 0 0 395.234 4.437 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000060499014 823535034 /nfs/dbraw/zinc/53/50/34/823535034.db2.gz CSVOGOKUFLWMHD-MRXNPFEDSA-N 0 0 394.880 4.391 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] ZINC000177845135 823535294 /nfs/dbraw/zinc/53/52/94/823535294.db2.gz WNEXMQYANDEGJC-MRXNPFEDSA-N 0 0 391.427 4.368 20 5 GIBDRN COc1cccc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1[N+](=O)[O-] ZINC000411039440 823536497 /nfs/dbraw/zinc/53/64/97/823536497.db2.gz YAJWMLHZNVKBOR-MRXNPFEDSA-N 0 0 378.787 4.277 20 5 GIBDRN C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)C1 ZINC000460912063 823540972 /nfs/dbraw/zinc/54/09/72/823540972.db2.gz KWMGOQPRHADINK-AYOQOUSVSA-N 0 0 399.495 4.047 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000177859728 823537537 /nfs/dbraw/zinc/53/75/37/823537537.db2.gz BLDGNPXWWKGGRY-CHWSQXEVSA-N 0 0 389.433 4.169 20 5 GIBDRN O=C(c1cc2cc(Br)ccc2o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000041791990 821230729 /nfs/dbraw/zinc/23/07/29/821230729.db2.gz FDQHRCJJGXVJLR-UHFFFAOYSA-N 0 0 387.189 4.306 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cnc2OC(C)C)c1 ZINC000411052191 823538271 /nfs/dbraw/zinc/53/82/71/823538271.db2.gz VHCLXJYIZALIKQ-UHFFFAOYSA-N 0 0 381.841 4.405 20 5 GIBDRN Cc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000190129000 823541122 /nfs/dbraw/zinc/54/11/22/823541122.db2.gz AVROMLTUQFTMCG-UHFFFAOYSA-N 0 0 380.404 4.258 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 ZINC000041904111 821244928 /nfs/dbraw/zinc/24/49/28/821244928.db2.gz PDMPKCQNCACFRN-UHFFFAOYSA-N 0 0 385.367 4.438 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1SC ZINC000411059550 823539335 /nfs/dbraw/zinc/53/93/35/823539335.db2.gz UPGFVYNJVYCBED-KRWDZBQOSA-N 0 0 388.445 4.286 20 5 GIBDRN Cc1ccc(C)c(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3F)o2)c1 ZINC000042097298 821265080 /nfs/dbraw/zinc/26/50/80/821265080.db2.gz CFQNAQLDBYZWHX-UHFFFAOYSA-N 0 0 375.381 4.464 20 5 GIBDRN Cc1cccc(OCc2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000042106761 821267062 /nfs/dbraw/zinc/26/70/62/821267062.db2.gz HTOSXUMEJAYGGT-UHFFFAOYSA-N 0 0 387.417 4.036 20 5 GIBDRN O=C(Nc1ccccc1N1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000042201126 821282848 /nfs/dbraw/zinc/28/28/48/821282848.db2.gz XQRWBQMEHAZPDL-UHFFFAOYSA-N 0 0 391.431 4.023 20 5 GIBDRN O=C(Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)NC1CC1 ZINC000042661510 821321647 /nfs/dbraw/zinc/32/16/47/821321647.db2.gz JNLQALFQVOVGAU-UHFFFAOYSA-N 0 0 396.428 4.346 20 5 GIBDRN Cc1cccc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)c1 ZINC000460915566 823541592 /nfs/dbraw/zinc/54/15/92/823541592.db2.gz VACHTYGKWMOTPO-LJQANCHMSA-N 0 0 393.447 4.109 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2cccc(F)c2)no1 ZINC000042918058 821344406 /nfs/dbraw/zinc/34/44/06/821344406.db2.gz OFUXJRFHFKRIJF-UHFFFAOYSA-N 0 0 393.277 4.243 20 5 GIBDRN COc1ccc2c(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)coc2c1 ZINC000042918514 821344662 /nfs/dbraw/zinc/34/46/62/821344662.db2.gz FXFKFLLPVILPNG-UHFFFAOYSA-N 0 0 392.314 4.132 20 5 GIBDRN Cc1cccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000042918588 821344720 /nfs/dbraw/zinc/34/47/20/821344720.db2.gz MLGYFIVWTHFDKU-UHFFFAOYSA-N 0 0 380.347 4.302 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000042918669 821344758 /nfs/dbraw/zinc/34/47/58/821344758.db2.gz QFYMJMURNYKNHU-UHFFFAOYSA-N 0 0 392.236 4.347 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCSc1ccc(F)cc1 ZINC000043140330 821367029 /nfs/dbraw/zinc/36/70/29/821367029.db2.gz YYGLJLKBTLRYAZ-UHFFFAOYSA-N 0 0 377.441 4.058 20 5 GIBDRN Cc1ccc(NC(=O)N(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000043147504 821368389 /nfs/dbraw/zinc/36/83/89/821368389.db2.gz QJSPMGDCJRJEFB-UHFFFAOYSA-N 0 0 384.255 4.391 20 5 GIBDRN Cc1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000043148012 821368436 /nfs/dbraw/zinc/36/84/36/821368436.db2.gz SUHRUPWLZJAMFP-UHFFFAOYSA-N 0 0 377.404 4.101 20 5 GIBDRN Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000043147871 821368457 /nfs/dbraw/zinc/36/84/57/821368457.db2.gz GHWKDEDFPWVHPY-CQSZACIVSA-N 0 0 380.404 4.456 20 5 GIBDRN O=C(Nc1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000043263730 821382489 /nfs/dbraw/zinc/38/24/89/821382489.db2.gz JHAGAVDUQXJNMM-UHFFFAOYSA-N 0 0 395.246 4.256 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2ccc(O)cc2)CC1 ZINC000043341779 821395183 /nfs/dbraw/zinc/39/51/83/821395183.db2.gz WMKKCYYYKKJDCQ-UHFFFAOYSA-N 0 0 375.812 4.365 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000180699969 821403177 /nfs/dbraw/zinc/40/31/77/821403177.db2.gz HZQCWIPFRHRRQX-UHFFFAOYSA-N 0 0 375.812 4.404 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000043784017 821457836 /nfs/dbraw/zinc/45/78/36/821457836.db2.gz UYXHCFIYMGHWFB-NRFANRHFSA-N 0 0 392.455 4.134 20 5 GIBDRN CSc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)cc1[N+](=O)[O-] ZINC000180801998 821466719 /nfs/dbraw/zinc/46/67/19/821466719.db2.gz LLUWCMGEAVFIEJ-UHFFFAOYSA-N 0 0 386.351 4.352 20 5 GIBDRN CCOc1cc(NC(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCC ZINC000043838897 821468773 /nfs/dbraw/zinc/46/87/73/821468773.db2.gz RDVPLZLBUOHTAN-UHFFFAOYSA-N 0 0 391.399 4.195 20 5 GIBDRN COc1ccccc1NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000180844513 821490672 /nfs/dbraw/zinc/49/06/72/821490672.db2.gz INULUEZYWFWKHE-UHFFFAOYSA-N 0 0 386.326 4.165 20 5 GIBDRN COCCOc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1OC ZINC000044024618 821505476 /nfs/dbraw/zinc/50/54/76/821505476.db2.gz IHDKOLWNVYTJKE-RMKNXTFCSA-N 0 0 380.400 4.347 20 5 GIBDRN COCCc1nc(C)c([C@@H](C)OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000180885466 821513428 /nfs/dbraw/zinc/51/34/28/821513428.db2.gz CYBSUORWBOLZKN-SNVBAGLBSA-N 0 0 384.841 4.120 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000180946891 821551775 /nfs/dbraw/zinc/55/17/75/821551775.db2.gz CHUZBICZTSDKEA-UHFFFAOYSA-N 0 0 388.836 4.130 20 5 GIBDRN CC[C@H](CSC)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000180962353 821558249 /nfs/dbraw/zinc/55/82/49/821558249.db2.gz LQSNNEUQDLGNRT-SECBINFHSA-N 0 0 395.706 4.224 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000180980725 821571748 /nfs/dbraw/zinc/57/17/48/821571748.db2.gz JOSSSCOWUFJNQS-UHFFFAOYSA-N 0 0 391.427 4.189 20 5 GIBDRN Cc1ccc(OC(=O)CSCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000044340400 821573205 /nfs/dbraw/zinc/57/32/05/821573205.db2.gz DKFVVNXSKHGZST-UHFFFAOYSA-N 0 0 384.413 4.397 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180984997 821574739 /nfs/dbraw/zinc/57/47/39/821574739.db2.gz GUFVITCIAROGFF-CVEARBPZSA-N 0 0 397.765 4.178 20 5 GIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181027999 821600564 /nfs/dbraw/zinc/60/05/64/821600564.db2.gz UBMYTJUBTXXJDN-XJKSGUPXSA-N 0 0 399.205 4.301 20 5 GIBDRN CCc1ccc(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000181029885 821602098 /nfs/dbraw/zinc/60/20/98/821602098.db2.gz KGIHAFSKEHPMQE-JTQLQIEISA-N 0 0 398.385 4.024 20 5 GIBDRN O=C(NC1CCC(CO)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000181036748 821605022 /nfs/dbraw/zinc/60/50/22/821605022.db2.gz ARALACAYRBSRGQ-UHFFFAOYSA-N 0 0 386.473 4.027 20 5 GIBDRN COCc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000044549623 821606528 /nfs/dbraw/zinc/60/65/28/821606528.db2.gz WVTLRSLVGRKTAC-HZPDHXFCSA-N 0 0 397.475 4.476 20 5 GIBDRN Cc1ccccc1COc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181072419 821618384 /nfs/dbraw/zinc/61/83/84/821618384.db2.gz WVWVQZFTOINNTG-UHFFFAOYSA-N 0 0 377.400 4.317 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000044635922 821633152 /nfs/dbraw/zinc/63/31/52/821633152.db2.gz PHMOADXKBJFTIC-CQSZACIVSA-N 0 0 384.432 4.416 20 5 GIBDRN COc1cc([C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000044636037 821633238 /nfs/dbraw/zinc/63/32/38/821633238.db2.gz AXVHXZDYJBKTMR-LBPRGKRZSA-N 0 0 390.461 4.477 20 5 GIBDRN Cc1nn(C)c(C)c1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000045000282 821687426 /nfs/dbraw/zinc/68/74/26/821687426.db2.gz SSLZXSQAQDWAKP-UHFFFAOYSA-N 0 0 376.482 4.336 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)c1ccco1 ZINC000181580383 821887555 /nfs/dbraw/zinc/88/75/55/821887555.db2.gz BQCRDIBAAAWKON-LBPRGKRZSA-N 0 0 376.434 4.080 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000181583356 821889149 /nfs/dbraw/zinc/88/91/49/821889149.db2.gz VIIGVBIXJMXPRH-YOEHRIQHSA-N 0 0 388.493 4.015 20 5 GIBDRN COCc1ccsc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181665615 821932004 /nfs/dbraw/zinc/93/20/04/821932004.db2.gz CIZDSFKDWRWTER-UHFFFAOYSA-N 0 0 375.431 4.179 20 5 GIBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(F)cccc1Cl ZINC000181734584 821967331 /nfs/dbraw/zinc/96/73/31/821967331.db2.gz MPTAXCZHLLGKKL-SNVBAGLBSA-N 0 0 376.775 4.288 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000181788350 821992865 /nfs/dbraw/zinc/99/28/65/821992865.db2.gz OYJUXVUDAOMGEL-ZDUSSCGKSA-N 0 0 383.330 4.096 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ncccc1C(F)(F)F ZINC000181950869 822043595 /nfs/dbraw/zinc/04/35/95/822043595.db2.gz ITZUCBRMKKKQNB-UHFFFAOYSA-N 0 0 379.216 4.280 20 5 GIBDRN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000182010643 822061413 /nfs/dbraw/zinc/06/14/13/822061413.db2.gz BMZOPYHGFWFWFO-UHFFFAOYSA-N 0 0 378.319 4.189 20 5 GIBDRN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000182075630 822082934 /nfs/dbraw/zinc/08/29/34/822082934.db2.gz YWVQWHGSOFEEOL-SFHVURJKSA-N 0 0 384.823 4.239 20 5 GIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cnn1-c1cccc(F)c1 ZINC000182171482 822130138 /nfs/dbraw/zinc/13/01/38/822130138.db2.gz IDQPHXYISHCNTL-UHFFFAOYSA-N 0 0 386.358 4.264 20 5 GIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000182176162 822133075 /nfs/dbraw/zinc/13/30/75/822133075.db2.gz NJINRTKCKJCUPK-UGSOOPFHSA-N 0 0 394.456 4.337 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)cc1SC ZINC000182205733 822146689 /nfs/dbraw/zinc/14/66/89/822146689.db2.gz VSKCXCZYFZCFBQ-HXPMCKFVSA-N 0 0 386.473 4.297 20 5 GIBDRN CN(Cc1cc2ccccc2o1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182270950 822181503 /nfs/dbraw/zinc/18/15/03/822181503.db2.gz KHXDFBRQUUQICW-UHFFFAOYSA-N 0 0 376.315 4.215 20 5 GIBDRN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182283656 822185940 /nfs/dbraw/zinc/18/59/40/822185940.db2.gz ATDPLAVBMTYGNO-QMMMGPOBSA-N 0 0 382.214 4.094 20 5 GIBDRN O=c1nc(Cc2ccc([N+](=O)[O-])cn2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000182329198 822204086 /nfs/dbraw/zinc/20/40/86/822204086.db2.gz IYUYIEDIDIJMSF-UHFFFAOYSA-N 0 0 398.831 4.199 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(OCC2CCCC2)CC1 ZINC000182333698 822205605 /nfs/dbraw/zinc/20/56/05/822205605.db2.gz SHMVSXOJPAMAFG-UHFFFAOYSA-N 0 0 398.406 4.008 20 5 GIBDRN C[C@@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1F ZINC000182383062 822223780 /nfs/dbraw/zinc/22/37/80/822223780.db2.gz LTZIKKLDQCXVRF-HWPZZCPQSA-N 0 0 378.400 4.330 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)O[C@H](C)C2 ZINC000182397318 822228731 /nfs/dbraw/zinc/22/87/31/822228731.db2.gz OUSSEHAZJVBLOU-VXGBXAGGSA-N 0 0 388.395 4.198 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000182406107 822231969 /nfs/dbraw/zinc/23/19/69/822231969.db2.gz IFQJAKCVNXYVHY-MRXNPFEDSA-N 0 0 382.464 4.146 20 5 GIBDRN Cc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)ccc1[N+](=O)[O-] ZINC000182415926 822235265 /nfs/dbraw/zinc/23/52/65/822235265.db2.gz IRGDYCSDUVFSGG-UHFFFAOYSA-N 0 0 381.413 4.469 20 5 GIBDRN C[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000182428265 822240112 /nfs/dbraw/zinc/24/01/12/822240112.db2.gz AHSJYMCAFXOTFV-LLVKDONJSA-N 0 0 392.246 4.333 20 5 GIBDRN Cc1cc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000182448407 822246459 /nfs/dbraw/zinc/24/64/59/822246459.db2.gz PXWHMPQQRRSUNZ-UHFFFAOYSA-N 0 0 389.411 4.432 20 5 GIBDRN C[C@@H](C(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cc1F ZINC000182460728 822251825 /nfs/dbraw/zinc/25/18/25/822251825.db2.gz IBXHJDPSLSSDMH-SNVBAGLBSA-N 0 0 394.786 4.291 20 5 GIBDRN O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182473665 822256461 /nfs/dbraw/zinc/25/64/61/822256461.db2.gz VKAZECPAKWAIIG-UHFFFAOYSA-N 0 0 376.237 4.467 20 5 GIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182482334 822259653 /nfs/dbraw/zinc/25/96/53/822259653.db2.gz VNTZXPLKGRDYSV-LPHOPBHVSA-N 0 0 397.818 4.056 20 5 GIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182482271 822259831 /nfs/dbraw/zinc/25/98/31/822259831.db2.gz VNTZXPLKGRDYSV-VQIMIIECSA-N 0 0 397.818 4.056 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182483781 822261011 /nfs/dbraw/zinc/26/10/11/822261011.db2.gz GQJPCBXAFFSEKW-CQSZACIVSA-N 0 0 379.391 4.462 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCSc2ccccc21 ZINC000182492283 822265347 /nfs/dbraw/zinc/26/53/47/822265347.db2.gz YSKCJOJUMQHTBZ-UHFFFAOYSA-N 0 0 380.372 4.339 20 5 GIBDRN COc1cc(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)ccc1[N+](=O)[O-] ZINC000182510372 822275055 /nfs/dbraw/zinc/27/50/55/822275055.db2.gz MRAABZNWCNCTCC-UHFFFAOYSA-N 0 0 386.795 4.003 20 5 GIBDRN COc1ccc(F)cc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182538525 822290243 /nfs/dbraw/zinc/29/02/43/822290243.db2.gz IXQGJWGTURJTQQ-UHFFFAOYSA-N 0 0 386.326 4.007 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182547501 822295599 /nfs/dbraw/zinc/29/55/99/822295599.db2.gz OVNFKZRGSQLLNO-OLZOCXBDSA-N 0 0 399.422 4.063 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000178064779 822306369 /nfs/dbraw/zinc/30/63/69/822306369.db2.gz UCAKNDPAWPWTEH-SNVBAGLBSA-N 0 0 396.230 4.026 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)OCO2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178095855 822317662 /nfs/dbraw/zinc/31/76/62/822317662.db2.gz MTEFSELSJPZIOO-UHFFFAOYSA-N 0 0 389.795 4.173 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(Cl)c(OC(F)F)c1 ZINC000182623733 822326890 /nfs/dbraw/zinc/32/68/90/822326890.db2.gz IWDBAEJSKOARRJ-UHFFFAOYSA-N 0 0 385.754 4.209 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(Sc2nnc(COc3ccc(Cl)cc3)o2)n1 ZINC000178158393 822336678 /nfs/dbraw/zinc/33/66/78/822336678.db2.gz SGKAHRZSNZQSDB-UHFFFAOYSA-N 0 0 378.797 4.065 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000178227010 822356064 /nfs/dbraw/zinc/35/60/64/822356064.db2.gz DCJCPFPVUDWMAU-UHFFFAOYSA-N 0 0 385.811 4.098 20 5 GIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccn(C2CCCC2)n1 ZINC000178243588 822357793 /nfs/dbraw/zinc/35/77/93/822357793.db2.gz CIDILXBHSRIZEZ-UHFFFAOYSA-N 0 0 383.433 4.282 20 5 GIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccc(F)cc1F ZINC000453415339 822359743 /nfs/dbraw/zinc/35/97/43/822359743.db2.gz DLKLAEXGTCJSCI-QGZVFWFLSA-N 0 0 385.374 4.010 20 5 GIBDRN COc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1OC1CCCC1 ZINC000182771275 822365071 /nfs/dbraw/zinc/36/50/71/822365071.db2.gz IMTNVKQNOVPAFJ-UHFFFAOYSA-N 0 0 382.416 4.128 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000182835590 822375411 /nfs/dbraw/zinc/37/54/11/822375411.db2.gz ICNAZVFGHPOMQT-LJQANCHMSA-N 0 0 395.503 4.131 20 5 GIBDRN CCc1ccc(-c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000045336570 822379322 /nfs/dbraw/zinc/37/93/22/822379322.db2.gz GQIPPVWJKBISKI-UHFFFAOYSA-N 0 0 388.470 4.255 20 5 GIBDRN CCn1cnnc1-c1cccc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000182856557 822379719 /nfs/dbraw/zinc/37/97/19/822379719.db2.gz NBENTDKYLFIYFJ-IBGZPJMESA-N 0 0 377.448 4.306 20 5 GIBDRN C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178473398 822382833 /nfs/dbraw/zinc/38/28/33/822382833.db2.gz CFSBGJSWWSRYRY-KBXCAEBGSA-N 0 0 399.447 4.038 20 5 GIBDRN Cc1ccc([C@H](C)NCc2nn(-c3ccccc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000178477593 822382980 /nfs/dbraw/zinc/38/29/80/822382980.db2.gz YSCMHOALEKYYCM-INIZCTEOSA-N 0 0 376.460 4.428 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1OC ZINC000045443386 822387831 /nfs/dbraw/zinc/38/78/31/822387831.db2.gz PUFDHSDUOPGFBE-LBPRGKRZSA-N 0 0 392.839 4.489 20 5 GIBDRN O=C(Nc1ccn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178533924 822388923 /nfs/dbraw/zinc/38/89/23/822388923.db2.gz DCOGUSAJPIHJDB-UHFFFAOYSA-N 0 0 390.321 4.111 20 5 GIBDRN Cc1ccc(CN2CCC[C@H]2c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000453610226 822392621 /nfs/dbraw/zinc/39/26/21/822392621.db2.gz JCILUACXYHHJEH-INIZCTEOSA-N 0 0 376.254 4.398 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000178728836 822405917 /nfs/dbraw/zinc/40/59/17/822405917.db2.gz JVPVUFHYEVGWBC-NSHDSACASA-N 0 0 382.363 4.064 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2cccc(SC)c2)cc1[N+](=O)[O-] ZINC000045713308 822407106 /nfs/dbraw/zinc/40/71/06/822407106.db2.gz IKOUCBWQCUZJQI-UHFFFAOYSA-N 0 0 378.475 4.197 20 5 GIBDRN O=C(NC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183004013 822409437 /nfs/dbraw/zinc/40/94/37/822409437.db2.gz KCQVNEPEAIIMDA-HNNXBMFYSA-N 0 0 378.494 4.034 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(CC(F)(F)F)C1CCC1 ZINC000183018152 822412241 /nfs/dbraw/zinc/41/22/41/822412241.db2.gz VILROEKGZBXKRP-UHFFFAOYSA-N 0 0 382.791 4.284 20 5 GIBDRN Cc1c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1cc(C)ccc1C ZINC000178811010 822412796 /nfs/dbraw/zinc/41/27/96/822412796.db2.gz MBFZQBAMKNSMBI-UHFFFAOYSA-N 0 0 393.447 4.370 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178866118 822417481 /nfs/dbraw/zinc/41/74/81/822417481.db2.gz NRODDMVKBYUYMV-SFTDATJTSA-N 0 0 395.459 4.189 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(CC1CCC1)CC(F)(F)F ZINC000183082059 822422481 /nfs/dbraw/zinc/42/24/81/822422481.db2.gz PTJCGWPKIQUCMC-UHFFFAOYSA-N 0 0 382.285 4.001 20 5 GIBDRN CCC[C@H]1C[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCO1 ZINC000183096690 822424017 /nfs/dbraw/zinc/42/40/17/822424017.db2.gz IEDRFBQJRPRLFH-HIFRSBDPSA-N 0 0 388.386 4.081 20 5 GIBDRN COCCOc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000183096217 822424023 /nfs/dbraw/zinc/42/40/23/822424023.db2.gz SPOUVGNERSIQTM-LLVKDONJSA-N 0 0 396.802 4.155 20 5 GIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000045939848 822425594 /nfs/dbraw/zinc/42/55/94/822425594.db2.gz IWVMONVZYBISHE-GFCCVEGCSA-N 0 0 389.839 4.163 20 5 GIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000045939851 822425598 /nfs/dbraw/zinc/42/55/98/822425598.db2.gz IWVMONVZYBISHE-LBPRGKRZSA-N 0 0 389.839 4.163 20 5 GIBDRN O=C(NCc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000183150820 822431966 /nfs/dbraw/zinc/43/19/66/822431966.db2.gz BVZLLKLXCKUCGU-UHFFFAOYSA-N 0 0 390.443 4.063 20 5 GIBDRN CN(C)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000179034771 822432098 /nfs/dbraw/zinc/43/20/98/822432098.db2.gz PCNDHQYTOGIMFX-UHFFFAOYSA-N 0 0 386.839 4.259 20 5 GIBDRN C[C@@H](C(=O)NCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000183153907 822432424 /nfs/dbraw/zinc/43/24/24/822432424.db2.gz HTISNOWCKREBDM-SECBINFHSA-N 0 0 399.191 4.055 20 5 GIBDRN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000046001261 822432999 /nfs/dbraw/zinc/43/29/99/822432999.db2.gz MHLMKJMDPBWXEE-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000046023595 822435999 /nfs/dbraw/zinc/43/59/99/822435999.db2.gz LUCMPLIOZLHQEF-UHFFFAOYSA-N 0 0 389.839 4.158 20 5 GIBDRN COc1ccc(C2(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000183179597 822436604 /nfs/dbraw/zinc/43/66/04/822436604.db2.gz BBFZRQBXFCEGFO-OAHLLOKOSA-N 0 0 398.459 4.301 20 5 GIBDRN Cc1c(NC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000454199335 822438007 /nfs/dbraw/zinc/43/80/07/822438007.db2.gz MXGIDHUTZDJBAT-OAHLLOKOSA-N 0 0 397.353 4.167 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000454201135 822438123 /nfs/dbraw/zinc/43/81/23/822438123.db2.gz AOYSSDWCERARQT-JOCQHMNTSA-N 0 0 375.812 4.325 20 5 GIBDRN COC[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000454208005 822438807 /nfs/dbraw/zinc/43/88/07/822438807.db2.gz WQHSJXXSWHBFDZ-AWEZNQCLSA-N 0 0 377.828 4.108 20 5 GIBDRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000183200791 822440396 /nfs/dbraw/zinc/44/03/96/822440396.db2.gz QALFNTQRLJXIQU-UHFFFAOYSA-N 0 0 387.823 4.025 20 5 GIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)c1ccncc1 ZINC000183230106 822444896 /nfs/dbraw/zinc/44/48/96/822444896.db2.gz MKYHRQNNHWANMA-UHFFFAOYSA-N 0 0 399.410 4.023 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000179199932 822449785 /nfs/dbraw/zinc/44/97/85/822449785.db2.gz URVMZCIGPMCZRS-QGZVFWFLSA-N 0 0 398.488 4.174 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCc2cc(F)c(F)cc21 ZINC000046222618 822451727 /nfs/dbraw/zinc/45/17/27/822451727.db2.gz YMFUALAAVOYXEV-UHFFFAOYSA-N 0 0 387.386 4.066 20 5 GIBDRN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454308574 822455821 /nfs/dbraw/zinc/45/58/21/822455821.db2.gz SBJFZWMSJDXEBC-APWZRJJASA-N 0 0 381.432 4.008 20 5 GIBDRN O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454311239 822456212 /nfs/dbraw/zinc/45/62/12/822456212.db2.gz KWVPMKQBCZIPAR-KRWDZBQOSA-N 0 0 395.463 4.002 20 5 GIBDRN CCOc1cc(NC(=O)N2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC ZINC000454342958 822460094 /nfs/dbraw/zinc/46/00/94/822460094.db2.gz BUBGGVMAJBTUBK-AWEZNQCLSA-N 0 0 377.441 4.046 20 5 GIBDRN Cc1c(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cccc1[N+](=O)[O-] ZINC000046308788 822460124 /nfs/dbraw/zinc/46/01/24/822460124.db2.gz CNYJIAALEDMBRQ-UHFFFAOYSA-N 0 0 381.363 4.160 20 5 GIBDRN C[N@H+](Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000183358762 822463525 /nfs/dbraw/zinc/46/35/25/822463525.db2.gz BRSSGPZOZBEFNM-UHFFFAOYSA-N 0 0 383.448 4.317 20 5 GIBDRN COc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000179315171 822465108 /nfs/dbraw/zinc/46/51/08/822465108.db2.gz JYZZPTDJONBEFN-UHFFFAOYSA-N 0 0 393.443 4.209 20 5 GIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000183400719 822468451 /nfs/dbraw/zinc/46/84/51/822468451.db2.gz GIJQFHJTTHZIMS-MAUKXSAKSA-N 0 0 398.887 4.117 20 5 GIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000183400682 822468501 /nfs/dbraw/zinc/46/85/01/822468501.db2.gz GIJQFHJTTHZIMS-CRAIPNDOSA-N 0 0 398.887 4.117 20 5 GIBDRN Cc1ccccc1C1(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000454400533 822469435 /nfs/dbraw/zinc/46/94/35/822469435.db2.gz YMTULLLUWNYRAX-KRWDZBQOSA-N 0 0 397.475 4.012 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179350187 822469675 /nfs/dbraw/zinc/46/96/75/822469675.db2.gz YBVRFVMZEXNZES-GFCCVEGCSA-N 0 0 394.456 4.448 20 5 GIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000179395794 822476779 /nfs/dbraw/zinc/47/67/79/822476779.db2.gz XIWVDJWXPFCOCK-CQSZACIVSA-N 0 0 399.447 4.047 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCO[C@@H](c4ccc(F)cc4)C3)cs2)c1 ZINC000179425708 822480838 /nfs/dbraw/zinc/48/08/38/822480838.db2.gz IUMFCEVVNRLOJF-LJQANCHMSA-N 0 0 399.447 4.431 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000183476573 822481714 /nfs/dbraw/zinc/48/17/14/822481714.db2.gz XUARGSRQAGYXDZ-HNNXBMFYSA-N 0 0 376.281 4.275 20 5 GIBDRN C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183476869 822481722 /nfs/dbraw/zinc/48/17/22/822481722.db2.gz PSNZYFGIRAGRLF-HOCLYGCPSA-N 0 0 392.521 4.253 20 5 GIBDRN CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 ZINC000179438812 822483032 /nfs/dbraw/zinc/48/30/32/822483032.db2.gz LOQFIIZEMWVUBR-HXUWFJFHSA-N 0 0 391.431 4.008 20 5 GIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000046536731 822483675 /nfs/dbraw/zinc/48/36/75/822483675.db2.gz FUNPVERRBQLFMX-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN O=[N+]([O-])c1ccc(Cl)c(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000179465734 822486800 /nfs/dbraw/zinc/48/68/00/822486800.db2.gz SNPZYPPTBRKAKP-UHFFFAOYSA-N 0 0 382.794 4.322 20 5 GIBDRN COc1ccc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(F)(F)F)cc1 ZINC000183521255 822489294 /nfs/dbraw/zinc/48/92/94/822489294.db2.gz NNEDONGKHPIIBM-OAHLLOKOSA-N 0 0 383.326 4.337 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cccnc2)c1 ZINC000046598254 822490062 /nfs/dbraw/zinc/49/00/62/822490062.db2.gz NNYRRNJJYLRHRG-UHFFFAOYSA-N 0 0 392.415 4.010 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000454525344 822491473 /nfs/dbraw/zinc/49/14/73/822491473.db2.gz SXKSDVNLBKUPMA-MEDUHNTESA-N 0 0 375.812 4.132 20 5 GIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000046614148 822492801 /nfs/dbraw/zinc/49/28/01/822492801.db2.gz YFMWJLQZNYCHDY-UHFFFAOYSA-N 0 0 399.428 4.172 20 5 GIBDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183549771 822493628 /nfs/dbraw/zinc/49/36/28/822493628.db2.gz DBBJHKNVKMERMC-UHFFFAOYSA-N 0 0 379.420 4.191 20 5 GIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454545018 822494713 /nfs/dbraw/zinc/49/47/13/822494713.db2.gz FPGAUXINVJBZIZ-LJQANCHMSA-N 0 0 383.448 4.447 20 5 GIBDRN Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183564226 822495311 /nfs/dbraw/zinc/49/53/11/822495311.db2.gz HWMITNHCLPGPDS-UHFFFAOYSA-N 0 0 377.404 4.101 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000183573096 822496474 /nfs/dbraw/zinc/49/64/74/822496474.db2.gz AAWUTIFPZWHWFI-UHFFFAOYSA-N 0 0 389.415 4.248 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183579562 822497135 /nfs/dbraw/zinc/49/71/35/822497135.db2.gz CTWBUSQLSAMJDT-GFCCVEGCSA-N 0 0 383.433 4.304 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000046652012 822499107 /nfs/dbraw/zinc/49/91/07/822499107.db2.gz OQOHIIJOFSHWHV-UHFFFAOYSA-N 0 0 383.448 4.418 20 5 GIBDRN O=C(Nc1ccccc1OC1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000046664852 822500827 /nfs/dbraw/zinc/50/08/27/822500827.db2.gz DYSOTWVSZRIXAL-UHFFFAOYSA-N 0 0 392.415 4.354 20 5 GIBDRN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179558640 822503508 /nfs/dbraw/zinc/50/35/08/822503508.db2.gz PWCHYAJMWSLDEL-UHFFFAOYSA-N 0 0 399.790 4.210 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000046714967 822508767 /nfs/dbraw/zinc/50/87/67/822508767.db2.gz NSEPNESDTNGPKH-UHFFFAOYSA-N 0 0 397.309 4.102 20 5 GIBDRN CCc1c(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cnn1CC(C)C ZINC000183681394 822510507 /nfs/dbraw/zinc/51/05/07/822510507.db2.gz OALHNUBOTLNJBO-UHFFFAOYSA-N 0 0 381.436 4.119 20 5 GIBDRN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000183690870 822511960 /nfs/dbraw/zinc/51/19/60/822511960.db2.gz SWAPOOBKWPQAJE-JTQLQIEISA-N 0 0 397.262 4.492 20 5 GIBDRN COCCC1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC000454675870 822515591 /nfs/dbraw/zinc/51/55/91/822515591.db2.gz LIOGVRLCNAYBJX-SFHVURJKSA-N 0 0 389.496 4.081 20 5 GIBDRN O=C(NCc1ccc(C(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183715368 822515781 /nfs/dbraw/zinc/51/57/81/822515781.db2.gz RIVPREWQJHKDEP-UHFFFAOYSA-N 0 0 387.289 4.456 20 5 GIBDRN C[C@@H](CC(=O)c1cccs1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183730405 822517923 /nfs/dbraw/zinc/51/79/23/822517923.db2.gz UEQJPSREJMIMBJ-JTQLQIEISA-N 0 0 398.893 4.180 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000183731413 822518205 /nfs/dbraw/zinc/51/82/05/822518205.db2.gz HTUUZQCCFLSHPX-UHFFFAOYSA-N 0 0 398.488 4.475 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(F)cc3OCC(F)F)n2)c1 ZINC000179653628 822520783 /nfs/dbraw/zinc/52/07/83/822520783.db2.gz HRVAFPXACTWEBH-UHFFFAOYSA-N 0 0 394.309 4.040 20 5 GIBDRN CC[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1c(C)noc1C ZINC000454714212 822522172 /nfs/dbraw/zinc/52/21/72/822522172.db2.gz KPHDJQCCCOWJAP-AEFFLSMTSA-N 0 0 386.452 4.240 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Oc2ccncc2)c1 ZINC000183762355 822524226 /nfs/dbraw/zinc/52/42/26/822524226.db2.gz JXPBQAUWVOXUGF-UHFFFAOYSA-N 0 0 383.791 4.366 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000454755789 822528768 /nfs/dbraw/zinc/52/87/68/822528768.db2.gz HVXGALSSVCXYLE-GFCCVEGCSA-N 0 0 389.839 4.086 20 5 GIBDRN COc1sc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000183799127 822529509 /nfs/dbraw/zinc/52/95/09/822529509.db2.gz KWTSIAVFKQRBTK-UHFFFAOYSA-N 0 0 391.674 4.371 20 5 GIBDRN CC(C)(C)c1ccc(O)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000046910441 822529717 /nfs/dbraw/zinc/52/97/17/822529717.db2.gz TXRRYIJASGSROI-UHFFFAOYSA-N 0 0 380.404 4.036 20 5 GIBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000183821754 822532078 /nfs/dbraw/zinc/53/20/78/822532078.db2.gz FNTJYSYXVXJQAO-JTQLQIEISA-N 0 0 376.775 4.288 20 5 GIBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000454783198 822533180 /nfs/dbraw/zinc/53/31/80/822533180.db2.gz UNCNFJZFRXPJND-ZYHUDNBSSA-N 0 0 393.793 4.163 20 5 GIBDRN CCC1(CC)CN(C(=O)c2cc3ccccc3c3cccnc23)CC[S@]1=O ZINC000183877708 822539608 /nfs/dbraw/zinc/53/96/08/822539608.db2.gz WMIJUVUNOOQANZ-HHHXNRCGSA-N 0 0 380.513 4.151 20 5 GIBDRN COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(C)C ZINC000183892384 822541550 /nfs/dbraw/zinc/54/15/50/822541550.db2.gz BOPUIDDJULNWIK-GFCCVEGCSA-N 0 0 376.384 4.272 20 5 GIBDRN O=C(N[C@H]1CCOc2c(F)cccc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454827882 822541736 /nfs/dbraw/zinc/54/17/36/822541736.db2.gz HWWSPQJCGIIDMA-BEFAXECRSA-N 0 0 399.422 4.147 20 5 GIBDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC1CCOCC1 ZINC000454834914 822543078 /nfs/dbraw/zinc/54/30/78/822543078.db2.gz JAXACMWHDSSCRE-HNNXBMFYSA-N 0 0 399.447 4.344 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000179755845 822544085 /nfs/dbraw/zinc/54/40/85/822544085.db2.gz GKBGZFACQXFYBE-UHFFFAOYSA-N 0 0 398.440 4.294 20 5 GIBDRN CC[C@@H](C)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000047174014 822550894 /nfs/dbraw/zinc/55/08/94/822550894.db2.gz GPWSUVNANMKNKR-YJYMSZOUSA-N 0 0 398.488 4.467 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000047176010 822551294 /nfs/dbraw/zinc/55/12/94/822551294.db2.gz QVEQIJFZTGDLLF-VLIAUNLRSA-N 0 0 380.400 4.163 20 5 GIBDRN COc1cc(COc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])cc1F ZINC000183968082 822555419 /nfs/dbraw/zinc/55/54/19/822555419.db2.gz CGBOOHPBVKWNTL-UHFFFAOYSA-N 0 0 386.335 4.167 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000454915135 822556163 /nfs/dbraw/zinc/55/61/63/822556163.db2.gz CYXZKTVXDOVKKL-ZDUSSCGKSA-N 0 0 395.419 4.398 20 5 GIBDRN O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047231752 822556592 /nfs/dbraw/zinc/55/65/92/822556592.db2.gz ITPRTMAHBUDHIO-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000047235804 822557079 /nfs/dbraw/zinc/55/70/79/822557079.db2.gz HNWQDFZXXSETQS-FQEVSTJZSA-N 0 0 389.411 4.013 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000047235805 822557092 /nfs/dbraw/zinc/55/70/92/822557092.db2.gz HNWQDFZXXSETQS-HXUWFJFHSA-N 0 0 389.411 4.013 20 5 GIBDRN Cc1nc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)sc1Br ZINC000454923601 822557663 /nfs/dbraw/zinc/55/76/63/822557663.db2.gz HUTVBOCLUUOADZ-UHFFFAOYSA-N 0 0 399.270 4.061 20 5 GIBDRN Cc1ccnc(-c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000183992700 822559563 /nfs/dbraw/zinc/55/95/63/822559563.db2.gz FWCIPLLYZTUFAM-ZDUSSCGKSA-N 0 0 380.379 4.242 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000454947816 822561804 /nfs/dbraw/zinc/56/18/04/822561804.db2.gz UWTBFRXZVCSSNA-UKRRQHHQSA-N 0 0 375.450 4.315 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c2ccccc2c1Br ZINC000047305748 822563856 /nfs/dbraw/zinc/56/38/56/822563856.db2.gz FZKUVDJHAUSABB-UHFFFAOYSA-N 0 0 388.221 4.111 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000047323440 822565648 /nfs/dbraw/zinc/56/56/48/822565648.db2.gz LFCLNUYVEDELMF-UHFFFAOYSA-N 0 0 392.415 4.199 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCc2ccc(F)cc21 ZINC000047370560 822571523 /nfs/dbraw/zinc/57/15/23/822571523.db2.gz PYSOWLHBTGQSKK-UHFFFAOYSA-N 0 0 386.426 4.273 20 5 GIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000047412750 822576976 /nfs/dbraw/zinc/57/69/76/822576976.db2.gz WJXLGXQGBSZQTH-MRXNPFEDSA-N 0 0 396.447 4.094 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000047419934 822577927 /nfs/dbraw/zinc/57/79/27/822577927.db2.gz VGNSJFCUMRRJML-GFCCVEGCSA-N 0 0 386.408 4.039 20 5 GIBDRN CCCN(CCc1cccs1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000184122609 822582113 /nfs/dbraw/zinc/58/21/13/822582113.db2.gz DAKAEHHNTULCED-UHFFFAOYSA-N 0 0 387.505 4.351 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047506858 822585355 /nfs/dbraw/zinc/58/53/55/822585355.db2.gz KDGIMVSDEIWLCZ-LIRRHRJNSA-N 0 0 385.420 4.035 20 5 GIBDRN CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000455075706 822585757 /nfs/dbraw/zinc/58/57/57/822585757.db2.gz PBRHJHYIQAQXLC-AWEZNQCLSA-N 0 0 396.447 4.167 20 5 GIBDRN Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cn1 ZINC000047536919 822588284 /nfs/dbraw/zinc/58/82/84/822588284.db2.gz YRQVFPWXENVTTF-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000455097642 822588424 /nfs/dbraw/zinc/58/84/24/822588424.db2.gz CZQIGKBTTDRRRF-GUYCJALGSA-N 0 0 387.436 4.124 20 5 GIBDRN COc1cc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000047584613 822593861 /nfs/dbraw/zinc/59/38/61/822593861.db2.gz RTLMLUQZYTUMKB-HNNXBMFYSA-N 0 0 386.448 4.058 20 5 GIBDRN COc1ccc2cc(CN(C)C(=O)CCOc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000047610379 822596735 /nfs/dbraw/zinc/59/67/35/822596735.db2.gz FWPFRBRVQZVLTH-UHFFFAOYSA-N 0 0 394.427 4.184 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000455175723 822602161 /nfs/dbraw/zinc/60/21/61/822602161.db2.gz WTXLQTDRGSDGPB-INIZCTEOSA-N 0 0 375.812 4.242 20 5 GIBDRN C[C@@H](c1nc2ccccc2s1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184252487 822603469 /nfs/dbraw/zinc/60/34/69/822603469.db2.gz XZIPSNCHSYPZCA-LBPRGKRZSA-N 0 0 395.444 4.448 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000184288791 822609114 /nfs/dbraw/zinc/60/91/14/822609114.db2.gz BTHWOCQIAFZJSZ-GFCCVEGCSA-N 0 0 386.839 4.174 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnc(COc2ccccc2)n1C ZINC000180093103 822613863 /nfs/dbraw/zinc/61/38/63/822613863.db2.gz MUZABGCRBXSXOH-AWEZNQCLSA-N 0 0 384.461 4.464 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1F ZINC000047864998 822615002 /nfs/dbraw/zinc/61/50/02/822615002.db2.gz XFEOPZASMVVSIJ-SECBINFHSA-N 0 0 399.325 4.227 20 5 GIBDRN CN(C)c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000047867409 822615164 /nfs/dbraw/zinc/61/51/64/822615164.db2.gz KNRLAWYXHABTDS-UHFFFAOYSA-N 0 0 382.342 4.001 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000455251225 822617870 /nfs/dbraw/zinc/61/78/70/822617870.db2.gz SHJQLMHCMVAGKF-BBRMVZONSA-N 0 0 375.450 4.315 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000047908013 822618762 /nfs/dbraw/zinc/61/87/62/822618762.db2.gz BADFIFYLAGWUIJ-UHFFFAOYSA-N 0 0 399.790 4.275 20 5 GIBDRN CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000455256908 822619250 /nfs/dbraw/zinc/61/92/50/822619250.db2.gz HGEDITNKKGFULY-PBHICJAKSA-N 0 0 385.468 4.482 20 5 GIBDRN CC[C@H](C)n1ncc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000455256910 822619294 /nfs/dbraw/zinc/61/92/94/822619294.db2.gz HGEDITNKKGFULY-WMLDXEAASA-N 0 0 385.468 4.482 20 5 GIBDRN O=C(NCc1cccc(Cl)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047934678 822620666 /nfs/dbraw/zinc/62/06/66/822620666.db2.gz XVIBVNSZNYFQDI-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN COc1ccc([C@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000184357448 822621483 /nfs/dbraw/zinc/62/14/83/822621483.db2.gz NEYKBNSFXUDZRJ-INIZCTEOSA-N 0 0 388.317 4.144 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OC(F)F)cc3)[n+]2[O-])c1 ZINC000047971313 822623204 /nfs/dbraw/zinc/62/32/04/822623204.db2.gz QIDYATYZYHCBMY-QPJJXVBHSA-N 0 0 385.326 4.062 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCSc2ccccc21 ZINC000184372947 822623855 /nfs/dbraw/zinc/62/38/55/822623855.db2.gz JNRTZMOUADYZNG-OAHLLOKOSA-N 0 0 377.853 4.285 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1coc(-c2cccs2)n1 ZINC000180138693 822624279 /nfs/dbraw/zinc/62/42/79/822624279.db2.gz OMXSCGZFTQOQEN-GFCCVEGCSA-N 0 0 392.458 4.296 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cncc(Cl)c1Cl ZINC000180147892 822626714 /nfs/dbraw/zinc/62/67/14/822626714.db2.gz BIQRUMGVOVWDBL-UHFFFAOYSA-N 0 0 398.249 4.495 20 5 GIBDRN C[C@H]1C[C@H]1c1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)o1 ZINC000048055605 822627870 /nfs/dbraw/zinc/62/78/70/822627870.db2.gz COQIEYCBDYBTAX-ORAYPTAESA-N 0 0 384.432 4.342 20 5 GIBDRN CC(C)(NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000455302533 822631210 /nfs/dbraw/zinc/63/12/10/822631210.db2.gz MMWJLNZPQGROJL-HNNXBMFYSA-N 0 0 399.344 4.414 20 5 GIBDRN COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1Br ZINC000184423170 822632358 /nfs/dbraw/zinc/63/23/58/822632358.db2.gz GQDONWGUKHARHB-SECBINFHSA-N 0 0 397.200 4.247 20 5 GIBDRN CO[C@H]1CCOc2c(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cccc21 ZINC000455314278 822632879 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ZINC000184510309 822648017 /nfs/dbraw/zinc/64/80/17/822648017.db2.gz YNMIOTXHSAFDLD-INIZCTEOSA-N 0 0 376.796 4.315 20 5 GIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180256992 822649442 /nfs/dbraw/zinc/64/94/42/822649442.db2.gz RNWVYRDJCACZMA-GOEBONIOSA-N 0 0 399.205 4.301 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000048340868 822654649 /nfs/dbraw/zinc/65/46/49/822654649.db2.gz BFLNIWZBXNAQJZ-OAHLLOKOSA-N 0 0 398.459 4.345 20 5 GIBDRN CN(C(=O)c1cc(F)c(F)cc1F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180285639 822655469 /nfs/dbraw/zinc/65/54/69/822655469.db2.gz ZSHVPGLZSCMTNY-UHFFFAOYSA-N 0 0 393.346 4.412 20 5 GIBDRN COc1ccc(OC)c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180286347 822655644 /nfs/dbraw/zinc/65/56/44/822655644.db2.gz HQKAPBGRPZUISY-UHFFFAOYSA-N 0 0 399.428 4.012 20 5 GIBDRN CC(=O)c1c(C)[nH]c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C ZINC000180286162 822655672 /nfs/dbraw/zinc/65/56/72/822655672.db2.gz DGUVEHVXGAVSLQ-UHFFFAOYSA-N 0 0 398.444 4.142 20 5 GIBDRN Cc1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cnn1C(C)(C)C ZINC000180294473 822658019 /nfs/dbraw/zinc/65/80/19/822658019.db2.gz YBDCLQLPXFFJCW-UHFFFAOYSA-N 0 0 399.476 4.255 20 5 GIBDRN O=C(Nc1cc(F)cc(F)c1F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455537228 822671906 /nfs/dbraw/zinc/67/19/06/822671906.db2.gz IWAYOTBAKPIPNJ-LBPRGKRZSA-N 0 0 379.338 4.424 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000184663868 822672419 /nfs/dbraw/zinc/67/24/19/822672419.db2.gz GPVMPAMQULXCKH-MRXNPFEDSA-N 0 0 398.463 4.332 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000184689951 822677196 /nfs/dbraw/zinc/67/71/96/822677196.db2.gz PGJYWBGMWOHWIA-SFHVURJKSA-N 0 0 394.475 4.028 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC(=O)NC(C)C ZINC000184695820 822677888 /nfs/dbraw/zinc/67/78/88/822677888.db2.gz YLCLVXBOTZSHDD-INIZCTEOSA-N 0 0 398.463 4.332 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184751546 822686038 /nfs/dbraw/zinc/68/60/38/822686038.db2.gz WJVBHOQGEMBMKG-ZDUSSCGKSA-N 0 0 397.522 4.006 20 5 GIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000048873862 822687089 /nfs/dbraw/zinc/68/70/89/822687089.db2.gz MCAYGSQPFMHYHS-GFCCVEGCSA-N 0 0 397.818 4.217 20 5 GIBDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000455657003 822692953 /nfs/dbraw/zinc/69/29/53/822692953.db2.gz CLRATQBQIHJLGL-QGZVFWFLSA-N 0 0 381.432 4.295 20 5 GIBDRN CC[C@](C)(CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184838775 822698178 /nfs/dbraw/zinc/69/81/78/822698178.db2.gz KXGUQTLFTOIJHE-GOSISDBHSA-N 0 0 394.880 4.290 20 5 GIBDRN CC[C@H](CSC)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000180551306 822700585 /nfs/dbraw/zinc/70/05/85/822700585.db2.gz MKLGTJRQXCKEQX-DZGCQCFKSA-N 0 0 388.493 4.034 20 5 GIBDRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049624798 822703066 /nfs/dbraw/zinc/70/30/66/822703066.db2.gz ZIUTXQUZYRSNEK-UHFFFAOYSA-N 0 0 399.410 4.019 20 5 GIBDRN CN(C)C(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000049637222 822703447 /nfs/dbraw/zinc/70/34/47/822703447.db2.gz DCZSZUIRJNJHOQ-UHFFFAOYSA-N 0 0 383.451 4.020 20 5 GIBDRN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ncc(-c2ccccc2)o1 ZINC000184877118 822705596 /nfs/dbraw/zinc/70/55/96/822705596.db2.gz FBORCSVUNMVTRK-ZDUSSCGKSA-N 0 0 391.387 4.151 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000184889919 822708057 /nfs/dbraw/zinc/70/80/57/822708057.db2.gz GKRWNZSTSINLKD-NQIIRXRSSA-N 0 0 398.503 4.082 20 5 GIBDRN Cc1cc(Br)cc(Cl)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000049769681 822708635 /nfs/dbraw/zinc/70/86/35/822708635.db2.gz GGYJDTDRUNZYHQ-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN COc1cc(CNc2ccc(C)nc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184896931 822709328 /nfs/dbraw/zinc/70/93/28/822709328.db2.gz CHURNFVRYIAPTG-UHFFFAOYSA-N 0 0 385.342 4.168 20 5 GIBDRN COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000180615119 822713082 /nfs/dbraw/zinc/71/30/82/822713082.db2.gz HZKNVUJQDCGHKI-QLJPJBMISA-N 0 0 383.231 4.467 20 5 GIBDRN O=C(Nc1ccccc1OCCF)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455739304 822717739 /nfs/dbraw/zinc/71/77/39/822717739.db2.gz UOAQCHFIPDDCKP-INIZCTEOSA-N 0 0 387.411 4.355 20 5 GIBDRN Cc1cc2ccccc2c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000455748299 822719288 /nfs/dbraw/zinc/71/92/88/822719288.db2.gz XZNDCJADLDWFRW-UHFFFAOYSA-N 0 0 379.420 4.122 20 5 GIBDRN C[C@@H](CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nccs1 ZINC000184965543 822719338 /nfs/dbraw/zinc/71/93/38/822719338.db2.gz WTBDESHWNOCELW-NSHDSACASA-N 0 0 388.474 4.051 20 5 GIBDRN CCCn1ncc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1C1CC1 ZINC000455760389 822721458 /nfs/dbraw/zinc/72/14/58/822721458.db2.gz WJCNZGSGXNMYFU-UHFFFAOYSA-N 0 0 391.859 4.096 20 5 GIBDRN O=C(Nc1ccc2c(c1)OCCCO2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050290990 822723765 /nfs/dbraw/zinc/72/37/65/822723765.db2.gz JHKAYKBENCBEMJ-UHFFFAOYSA-N 0 0 397.412 4.132 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050292786 822723940 /nfs/dbraw/zinc/72/39/40/822723940.db2.gz ARHGYOVSFCHXJG-UHFFFAOYSA-N 0 0 384.373 4.187 20 5 GIBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCc2ccccc21 ZINC000050298861 822724607 /nfs/dbraw/zinc/72/46/07/822724607.db2.gz FKPDTQDHLAVTJH-GOSISDBHSA-N 0 0 379.441 4.478 20 5 GIBDRN O=C(Nc1ccc(-c2nnco2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050310794 822724753 /nfs/dbraw/zinc/72/47/53/822724753.db2.gz XYIRIZBESQVDDO-UHFFFAOYSA-N 0 0 393.384 4.021 20 5 GIBDRN COC(=O)c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000050310902 822724785 /nfs/dbraw/zinc/72/47/85/822724785.db2.gz RGTIXWKIIUSABI-UHFFFAOYSA-N 0 0 397.412 4.066 20 5 GIBDRN CN(Cc1ccc(F)cc1F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050310378 822724802 /nfs/dbraw/zinc/72/48/02/822724802.db2.gz CUEXVOSVXKFLJM-UHFFFAOYSA-N 0 0 389.383 4.269 20 5 GIBDRN O=C(Nc1ccc2oc(=O)ccc2c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050336304 822726429 /nfs/dbraw/zinc/72/64/29/822726429.db2.gz RFBQJMGLKTXQIG-UHFFFAOYSA-N 0 0 393.380 4.077 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000050399227 822728603 /nfs/dbraw/zinc/72/86/03/822728603.db2.gz ARRINBKPKHEWRL-AWEZNQCLSA-N 0 0 394.475 4.424 20 5 GIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2c1cccc2C(F)(F)F ZINC000185048578 822729093 /nfs/dbraw/zinc/72/90/93/822729093.db2.gz XLZYWDWPDMPYDP-UHFFFAOYSA-N 0 0 375.306 4.298 20 5 GIBDRN CCOc1ccc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000050550684 822733347 /nfs/dbraw/zinc/73/33/47/822733347.db2.gz AFMWRJBPNIESIN-UHFFFAOYSA-N 0 0 397.456 4.389 20 5 GIBDRN CCCN(CCc1ccccn1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050630176 822735167 /nfs/dbraw/zinc/73/51/67/822735167.db2.gz WPIHLOPSNRZXRK-UHFFFAOYSA-N 0 0 396.472 4.208 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000185102263 822737297 /nfs/dbraw/zinc/73/72/97/822737297.db2.gz LRLPNLXXENYKKT-HNNXBMFYSA-N 0 0 381.432 4.151 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000050766985 822737890 /nfs/dbraw/zinc/73/78/90/822737890.db2.gz CCPQUYZQYDYVHH-GFCCVEGCSA-N 0 0 387.436 4.055 20 5 GIBDRN CCOc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000050894393 822741787 /nfs/dbraw/zinc/74/17/87/822741787.db2.gz WPKWVQYNPQUMQX-GHTZIAJQSA-N 0 0 398.459 4.233 20 5 GIBDRN C[C@H](C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185143081 822742266 /nfs/dbraw/zinc/74/22/66/822742266.db2.gz IBQHMUOYZVGHDI-AUSJPIAWSA-N 0 0 386.423 4.122 20 5 GIBDRN O=[N+]([O-])c1cccc(F)c1OCc1nnc(-c2ccccc2Br)o1 ZINC000185183096 822746587 /nfs/dbraw/zinc/74/65/87/822746587.db2.gz XUPAVLIZNITJTL-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN CCCC(=O)Nc1ccc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185231796 822752373 /nfs/dbraw/zinc/75/23/73/822752373.db2.gz NKBNWFSLMNXGOZ-GOSISDBHSA-N 0 0 397.475 4.219 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1OCCOC ZINC000185253856 822755177 /nfs/dbraw/zinc/75/51/77/822755177.db2.gz MOUIECCQBSJJTM-QGZVFWFLSA-N 0 0 386.448 4.136 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000185272608 822757731 /nfs/dbraw/zinc/75/77/31/822757731.db2.gz PAVJTDIUNMJCLE-KAGYGMCKSA-N 0 0 396.487 4.448 20 5 GIBDRN COc1cc(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000174299885 822766631 /nfs/dbraw/zinc/76/66/31/822766631.db2.gz RNUSQUAKPVJKST-UHFFFAOYSA-N 0 0 396.365 4.159 20 5 GIBDRN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000185348842 822769361 /nfs/dbraw/zinc/76/93/61/822769361.db2.gz QRGZUWXDNAPNKI-STQMWFEESA-N 0 0 377.441 4.009 20 5 GIBDRN Cc1noc(C)c1COc1ccc(CC(=O)Oc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051705495 822775283 /nfs/dbraw/zinc/77/52/83/822775283.db2.gz UAHOHBZYJJKTLT-UHFFFAOYSA-N 0 0 396.399 4.235 20 5 GIBDRN C[C@H](N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)(C)O ZINC000456085376 822776042 /nfs/dbraw/zinc/77/60/42/822776042.db2.gz ADYAONLCIGUTRF-LBPRGKRZSA-N 0 0 392.839 4.272 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456113448 822779181 /nfs/dbraw/zinc/77/91/81/822779181.db2.gz HCYLGGBQZRWZME-SCZZXKLOSA-N 0 0 384.276 4.417 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456118524 822780127 /nfs/dbraw/zinc/78/01/27/822780127.db2.gz SNZBKGSNWSRBON-NXHRZFHOSA-N 0 0 392.521 4.253 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000185414110 822780674 /nfs/dbraw/zinc/78/06/74/822780674.db2.gz YSUTYIDUTOTAOB-INIZCTEOSA-N 0 0 392.415 4.385 20 5 GIBDRN CSc1ccc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000174396620 822783986 /nfs/dbraw/zinc/78/39/86/822783986.db2.gz YGEOKHQPUHKJIK-KSSFIOAISA-N 0 0 386.473 4.227 20 5 GIBDRN CCO[C@@H](C)c1nc(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cs1 ZINC000456196262 822787749 /nfs/dbraw/zinc/78/77/49/822787749.db2.gz WTXABROKZCTQQI-LBPRGKRZSA-N 0 0 392.481 4.150 20 5 GIBDRN CC(C)Oc1ncc(Cl)cc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000456226674 822788649 /nfs/dbraw/zinc/78/86/49/822788649.db2.gz KBEQHUSPOIWDNT-UHFFFAOYSA-N 0 0 391.811 4.032 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000174429162 822788943 /nfs/dbraw/zinc/78/89/43/822788943.db2.gz GMLSOPBKFJDWGZ-UHFFFAOYSA-N 0 0 391.383 4.047 20 5 GIBDRN O=C(Nc1ccccc1CC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174447958 822791007 /nfs/dbraw/zinc/79/10/07/822791007.db2.gz JTAUJDHXHJHLQJ-UHFFFAOYSA-N 0 0 390.321 4.138 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000174451704 822791567 /nfs/dbraw/zinc/79/15/67/822791567.db2.gz YJOQFLCUYQCTSK-OAHLLOKOSA-N 0 0 389.839 4.319 20 5 GIBDRN C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000174451041 822791597 /nfs/dbraw/zinc/79/15/97/822791597.db2.gz WKXMOIRPFMQVFW-STQMWFEESA-N 0 0 385.445 4.267 20 5 GIBDRN COc1cccc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000185514979 822792479 /nfs/dbraw/zinc/79/24/79/822792479.db2.gz NIFLVSGJIRBRNV-MRXNPFEDSA-N 0 0 382.338 4.200 20 5 GIBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000052314137 822795951 /nfs/dbraw/zinc/79/59/51/822795951.db2.gz RBWBFMWDAOKAMX-CQSZACIVSA-N 0 0 394.406 4.483 20 5 GIBDRN CC(=O)c1ccc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c([N+](=O)[O-])c1 ZINC000052313719 822795978 /nfs/dbraw/zinc/79/59/78/822795978.db2.gz OEMINJCSKDUVQX-LBPRGKRZSA-N 0 0 382.420 4.254 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C(C)C)[C@H]3C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000456308351 822796809 /nfs/dbraw/zinc/79/68/09/822796809.db2.gz YRDJZZFJHOTPKU-WOJBJXKFSA-N 0 0 398.507 4.209 20 5 GIBDRN CC[C@H](C)NC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000052358298 822797137 /nfs/dbraw/zinc/79/71/37/822797137.db2.gz YNNIGQIZJYQZNK-AWEZNQCLSA-N 0 0 378.432 4.283 20 5 GIBDRN C[C@@H](C(=O)N[C@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1F ZINC000185568571 822797480 /nfs/dbraw/zinc/79/74/80/822797480.db2.gz OWIOWPVVHJFTBS-DIFFPNOSSA-N 0 0 376.359 4.007 20 5 GIBDRN CCc1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000185569274 822797488 /nfs/dbraw/zinc/79/74/88/822797488.db2.gz BLEYFIPRMJVWKE-UHFFFAOYSA-N 0 0 380.404 4.105 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)cccc1NC1CC1 ZINC000174505198 822797992 /nfs/dbraw/zinc/79/79/92/822797992.db2.gz SUWJDJKFKVNNSX-NSHDSACASA-N 0 0 375.425 4.428 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000174508507 822798569 /nfs/dbraw/zinc/79/85/69/822798569.db2.gz ACOBOAYKVGAYDM-UHFFFAOYSA-N 0 0 399.790 4.453 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000185602876 822801121 /nfs/dbraw/zinc/80/11/21/822801121.db2.gz PSTKBMSKUIXDDO-UHFFFAOYSA-N 0 0 385.420 4.059 20 5 GIBDRN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2cccc(F)c2O1 ZINC000185603561 822801125 /nfs/dbraw/zinc/80/11/25/822801125.db2.gz ODOYLGGMYMCMDY-LLVKDONJSA-N 0 0 399.403 4.285 20 5 GIBDRN COc1ccc(Br)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000052494871 822801377 /nfs/dbraw/zinc/80/13/77/822801377.db2.gz WOLWNGZJPOPUIB-UHFFFAOYSA-N 0 0 394.225 4.030 20 5 GIBDRN CC(C)(C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc([N+](=O)[O-])cc1 ZINC000456440310 822807168 /nfs/dbraw/zinc/80/71/68/822807168.db2.gz FDLNHQXWLANINX-AWEZNQCLSA-N 0 0 378.350 4.093 20 5 GIBDRN Cc1cc(OCc2nnc(-c3ccc(Br)o3)o2)c(F)cc1[N+](=O)[O-] ZINC000185661305 822807871 /nfs/dbraw/zinc/80/78/71/822807871.db2.gz PRQYDWTWGRTPBN-UHFFFAOYSA-N 0 0 398.144 4.027 20 5 GIBDRN O=C(NC1CCc2ccccc2CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000456454063 822808206 /nfs/dbraw/zinc/80/82/06/822808206.db2.gz JKWLOGJDRSYPIJ-UHFFFAOYSA-N 0 0 389.249 4.035 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000456497129 822810366 /nfs/dbraw/zinc/81/03/66/822810366.db2.gz DPBZRHJTQLKAAW-GXTWGEPZSA-N 0 0 380.853 4.268 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCSCc1nc(CCc2ccccc2)no1 ZINC000174601540 822810668 /nfs/dbraw/zinc/81/06/68/822810668.db2.gz RWFVVDQOUNEXRK-UHFFFAOYSA-N 0 0 385.445 4.075 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)c1 ZINC000456505216 822811027 /nfs/dbraw/zinc/81/10/27/822811027.db2.gz HKWNICCCILPVIZ-MQMHXKEQSA-N 0 0 394.349 4.298 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)c1 ZINC000456513524 822811756 /nfs/dbraw/zinc/81/17/56/822811756.db2.gz PTRKFJFBUODBRT-MQMHXKEQSA-N 0 0 394.349 4.298 20 5 GIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456554190 822815524 /nfs/dbraw/zinc/81/55/24/822815524.db2.gz DCHQNWDSQOUPFR-HNNXBMFYSA-N 0 0 378.331 4.157 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Sc2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000052915465 822815582 /nfs/dbraw/zinc/81/55/82/822815582.db2.gz CVQNHNSWGGFMOL-SNVBAGLBSA-N 0 0 396.266 4.180 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(-c2ccccc2)no1 ZINC000052990026 822817589 /nfs/dbraw/zinc/81/75/89/822817589.db2.gz QNANOHBFVSOVER-ZDUSSCGKSA-N 0 0 383.429 4.047 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)c([N+](=O)[O-])c4)CC3)c2c1 ZINC000053075606 822820342 /nfs/dbraw/zinc/82/03/42/822820342.db2.gz RGCLJENJJPPOED-UHFFFAOYSA-N 0 0 393.443 4.383 20 5 GIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cccc(C(F)(F)F)c1 ZINC000053111368 822822018 /nfs/dbraw/zinc/82/20/18/822822018.db2.gz DVOMUPNTOLUTNN-LBPRGKRZSA-N 0 0 381.354 4.073 20 5 GIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000174693430 822824238 /nfs/dbraw/zinc/82/42/38/822824238.db2.gz BYRPITREMDABNM-YJYMSZOUSA-N 0 0 390.386 4.092 20 5 GIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000456704426 822824870 /nfs/dbraw/zinc/82/48/70/822824870.db2.gz YHHDAVQUAPPWBC-OAQYLSRUSA-N 0 0 398.484 4.389 20 5 GIBDRN CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000053332911 822830794 /nfs/dbraw/zinc/83/07/94/822830794.db2.gz ZPZAVFBDQRKTMO-UHFFFAOYSA-N 0 0 399.413 4.231 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000053394468 822832851 /nfs/dbraw/zinc/83/28/51/822832851.db2.gz OVAKTSXEGVWALJ-UHFFFAOYSA-N 0 0 382.401 4.297 20 5 GIBDRN Cc1cc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000053463260 822836176 /nfs/dbraw/zinc/83/61/76/822836176.db2.gz OJZMPODEIYJBLP-GFCCVEGCSA-N 0 0 384.461 4.165 20 5 GIBDRN CC[C@@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000053481567 822837171 /nfs/dbraw/zinc/83/71/71/822837171.db2.gz HTPMNTVBDAUDOV-HZPDHXFCSA-N 0 0 382.464 4.425 20 5 GIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456852889 822838236 /nfs/dbraw/zinc/83/82/36/822838236.db2.gz XQAYHKSROLTDIU-CQSZACIVSA-N 0 0 398.312 4.452 20 5 GIBDRN CSc1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000185976684 822840066 /nfs/dbraw/zinc/84/00/66/822840066.db2.gz ICRILQIJHZCBGM-UHFFFAOYSA-N 0 0 382.388 4.190 20 5 GIBDRN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1F ZINC000053599780 822842177 /nfs/dbraw/zinc/84/21/77/822842177.db2.gz GWAZXDJVPNJFOB-LJQANCHMSA-N 0 0 377.379 4.217 20 5 GIBDRN Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000186002873 822842940 /nfs/dbraw/zinc/84/29/40/822842940.db2.gz CHEPSFINCMEJHK-JTQLQIEISA-N 0 0 382.873 4.224 20 5 GIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000186016776 822844068 /nfs/dbraw/zinc/84/40/68/822844068.db2.gz ATMNOEFUSPIJDX-LLVKDONJSA-N 0 0 396.900 4.478 20 5 GIBDRN C[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000053769020 822847314 /nfs/dbraw/zinc/84/73/14/822847314.db2.gz AUYNYNYZGLZSLE-OAHLLOKOSA-N 0 0 393.399 4.038 20 5 GIBDRN COC[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000457036482 822847454 /nfs/dbraw/zinc/84/74/54/822847454.db2.gz LQDJBRLDKFEHMF-SFHVURJKSA-N 0 0 397.475 4.096 20 5 GIBDRN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1F ZINC000186062187 822848512 /nfs/dbraw/zinc/84/85/12/822848512.db2.gz FETMMPOCQOLWAJ-UHFFFAOYSA-N 0 0 383.173 4.066 20 5 GIBDRN COC(=O)c1cccc(-c2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000174879221 822849919 /nfs/dbraw/zinc/84/99/19/822849919.db2.gz UKJXJRKETUITDL-LLVKDONJSA-N 0 0 385.401 4.285 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-])c1ccccn1 ZINC000174894071 822851887 /nfs/dbraw/zinc/85/18/87/822851887.db2.gz RBLIEIIFCYFXRY-LBPRGKRZSA-N 0 0 396.378 4.260 20 5 GIBDRN CC1(CC(F)(F)F)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457120031 822855115 /nfs/dbraw/zinc/85/51/15/822855115.db2.gz OVSVTILXVDSOOL-UHFFFAOYSA-N 0 0 385.367 4.133 20 5 GIBDRN COc1ccccc1NC(=O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000174922684 822856548 /nfs/dbraw/zinc/85/65/48/822856548.db2.gz JFKJZFBZXBTUJG-UHFFFAOYSA-N 0 0 392.411 4.212 20 5 GIBDRN Cc1ccccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005431 822856964 /nfs/dbraw/zinc/85/69/64/822856964.db2.gz AKBNPVWQLUTOLR-QGZVFWFLSA-N 0 0 385.420 4.108 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@H](CCCO)C1 ZINC000457152118 822857603 /nfs/dbraw/zinc/85/76/03/822857603.db2.gz WZMNUNWKHWWSRX-HNNXBMFYSA-N 0 0 392.521 4.112 20 5 GIBDRN CC(C)[C@@H]1N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC000457158371 822857992 /nfs/dbraw/zinc/85/79/92/822857992.db2.gz FNNCTOITBIXPLE-IBGZPJMESA-N 0 0 382.464 4.036 20 5 GIBDRN CN(C[C@H]1CCCOC1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000186187298 822859162 /nfs/dbraw/zinc/85/91/62/822859162.db2.gz KKIQHZFRPFWQHM-MRXNPFEDSA-N 0 0 392.521 4.376 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000054059933 822860772 /nfs/dbraw/zinc/86/07/72/822860772.db2.gz PKMOTPSVVTUJRM-GFCCVEGCSA-N 0 0 385.420 4.363 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000457210561 822860914 /nfs/dbraw/zinc/86/09/14/822860914.db2.gz DGRMCOQKGOOZDM-QKKBWIMNSA-N 0 0 394.475 4.471 20 5 GIBDRN CCC1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000054102668 822862570 /nfs/dbraw/zinc/86/25/70/822862570.db2.gz XYJBBHDEARWVFK-OAHLLOKOSA-N 0 0 382.464 4.425 20 5 GIBDRN Cc1ccc(O)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000054141234 822863972 /nfs/dbraw/zinc/86/39/72/822863972.db2.gz BQLKBFILXURXNC-CQSZACIVSA-N 0 0 392.415 4.429 20 5 GIBDRN CSc1cccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1[N+](=O)[O-] ZINC000186253100 822865422 /nfs/dbraw/zinc/86/54/22/822865422.db2.gz BTEQMUDREDOXSU-ZDUSSCGKSA-N 0 0 378.837 4.224 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000054196202 822867874 /nfs/dbraw/zinc/86/78/74/822867874.db2.gz FRLKHDAXTNQZLW-LLVKDONJSA-N 0 0 375.812 4.029 20 5 GIBDRN C[C@H](C(=O)NCc1ccncc1OCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569027926 822871092 /nfs/dbraw/zinc/87/10/92/822871092.db2.gz VZURZTCAMIKEQU-HNNXBMFYSA-N 0 0 385.464 4.225 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457380722 822871682 /nfs/dbraw/zinc/87/16/82/822871682.db2.gz URITVLJVOFWYOS-SFHVURJKSA-N 0 0 398.850 4.421 20 5 GIBDRN CC[C@H](C)n1ncc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 ZINC000186304524 822873805 /nfs/dbraw/zinc/87/38/05/822873805.db2.gz NHYJSPKSEIXJEG-NSHDSACASA-N 0 0 376.844 4.223 20 5 GIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000569053549 822874345 /nfs/dbraw/zinc/87/43/45/822874345.db2.gz MCFIIEWFDUCDNN-OAHLLOKOSA-N 0 0 398.459 4.081 20 5 GIBDRN COc1cc(Cc2noc(-c3csc4ccccc34)n2)c([N+](=O)[O-])c(OC)c1 ZINC000569067570 822876233 /nfs/dbraw/zinc/87/62/33/822876233.db2.gz XNVSBYGIQOJQNX-UHFFFAOYSA-N 0 0 397.412 4.468 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000054325884 822876572 /nfs/dbraw/zinc/87/65/72/822876572.db2.gz FXIMAPPHIMHPPF-UHFFFAOYSA-N 0 0 393.424 4.323 20 5 GIBDRN Cc1nn(CCC(=O)N(C)C2c3ccccc3-c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000175067778 822877098 /nfs/dbraw/zinc/87/70/98/822877098.db2.gz VTDGVFWCRPFFDN-UHFFFAOYSA-N 0 0 390.443 4.027 20 5 GIBDRN CCOC(=O)Cc1ccccc1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569077441 822877640 /nfs/dbraw/zinc/87/76/40/822877640.db2.gz SUQDFFPDVZVYNF-UHFFFAOYSA-N 0 0 382.338 4.331 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000186341183 822878578 /nfs/dbraw/zinc/87/85/78/822878578.db2.gz WQMLDZUHBXQWFV-UHFFFAOYSA-N 0 0 399.241 4.148 20 5 GIBDRN CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000186349681 822880017 /nfs/dbraw/zinc/88/00/17/822880017.db2.gz PRMBJOWHAFROIR-GFCCVEGCSA-N 0 0 394.518 4.480 20 5 GIBDRN CCc1cc(Oc2ccc(-c3nnco3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389510 822880863 /nfs/dbraw/zinc/88/08/63/822880863.db2.gz SYCSHOKMVRLDTP-UHFFFAOYSA-N 0 0 389.371 4.457 20 5 GIBDRN COc1ccc(-c2ncc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)s2)cc1 ZINC000175100028 822882255 /nfs/dbraw/zinc/88/22/55/822882255.db2.gz PFCDVNUGKOUPDH-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccoc3C3CC3)n2)c(Br)c1 ZINC000569153004 822884844 /nfs/dbraw/zinc/88/48/44/822884844.db2.gz CABORVDHYSJMQS-UHFFFAOYSA-N 0 0 390.193 4.469 20 5 GIBDRN Cc1sc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000175150130 822892584 /nfs/dbraw/zinc/89/25/84/822892584.db2.gz ANUPICCKSIFOBJ-ABAIWWIYSA-N 0 0 375.450 4.313 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000054585799 822897175 /nfs/dbraw/zinc/89/71/75/822897175.db2.gz OERAKJUHMSRDIN-UHFFFAOYSA-N 0 0 394.309 4.284 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000175177870 822898163 /nfs/dbraw/zinc/89/81/63/822898163.db2.gz FQFVPFRWJIZFQU-UHFFFAOYSA-N 0 0 383.448 4.232 20 5 GIBDRN Cc1ccc2snc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000569267530 822898392 /nfs/dbraw/zinc/89/83/92/822898392.db2.gz LEMPWMRVGUMADN-GOSISDBHSA-N 0 0 385.470 4.401 20 5 GIBDRN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c(OCC2CC2)c1 ZINC000569289086 822902038 /nfs/dbraw/zinc/90/20/38/822902038.db2.gz JRAFUZRGJKGLDL-UHFFFAOYSA-N 0 0 381.388 4.418 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000186493155 822904506 /nfs/dbraw/zinc/90/45/06/822904506.db2.gz ZKPKONQHHHGPLR-SFHVURJKSA-N 0 0 383.448 4.077 20 5 GIBDRN Cc1c(CS(=O)(=O)Cc2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000054708760 822907341 /nfs/dbraw/zinc/90/73/41/822907341.db2.gz NVHINWNJZFKMCY-UHFFFAOYSA-N 0 0 394.499 4.203 20 5 GIBDRN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000054773144 822911271 /nfs/dbraw/zinc/91/12/71/822911271.db2.gz URBZTNVTPSZTSB-UHFFFAOYSA-N 0 0 375.356 4.173 20 5 GIBDRN Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000054864748 822918766 /nfs/dbraw/zinc/91/87/66/822918766.db2.gz FJCOOKCBQIXJLS-UHFFFAOYSA-N 0 0 379.210 4.073 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1csc([C@@H](C)OCC)n1 ZINC000175273697 822921377 /nfs/dbraw/zinc/92/13/77/822921377.db2.gz JXABZHWMFGJAHT-CYBMUJFWSA-N 0 0 379.482 4.180 20 5 GIBDRN C[C@@H](NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000457859726 822926190 /nfs/dbraw/zinc/92/61/90/822926190.db2.gz WITQZXILEYONRF-KUHUBIRLSA-N 0 0 393.447 4.469 20 5 GIBDRN CSc1cccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1[N+](=O)[O-] ZINC000569505636 822931346 /nfs/dbraw/zinc/93/13/46/822931346.db2.gz ZEKFEQBXROTBDO-UHFFFAOYSA-N 0 0 382.323 4.448 20 5 GIBDRN COc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000175311830 822932043 /nfs/dbraw/zinc/93/20/43/822932043.db2.gz PKJJRPSQCRUREI-UHFFFAOYSA-N 0 0 398.444 4.076 20 5 GIBDRN O=[N+]([O-])c1cc(Br)ccc1-c1nc(COc2ccc(F)cc2)no1 ZINC000569523234 822934168 /nfs/dbraw/zinc/93/41/68/822934168.db2.gz RWXJOJBMRJRPKV-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN COc1cc(C(=O)Nc2cc(C)c(C)c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000175322426 822934815 /nfs/dbraw/zinc/93/48/15/822934815.db2.gz CTVDSEJUCFYKEW-UHFFFAOYSA-N 0 0 381.388 4.029 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nccc(Br)c1C ZINC000569557079 822939439 /nfs/dbraw/zinc/93/94/39/822939439.db2.gz CQDUVSLMUYACOX-UHFFFAOYSA-N 0 0 378.226 4.238 20 5 GIBDRN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000457935109 822939937 /nfs/dbraw/zinc/93/99/37/822939937.db2.gz FMRLPBDSATXKLQ-NSHDSACASA-N 0 0 382.338 4.422 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Nc2ccccc2OCC(C)C)c([N+](=O)[O-])c1 ZINC000055154431 822941932 /nfs/dbraw/zinc/94/19/32/822941932.db2.gz CTKIAEKZPBLPFW-AWEZNQCLSA-N 0 0 387.436 4.077 20 5 GIBDRN CN(C(=O)c1cc(Cl)cc(F)c1Br)c1ccc([N+](=O)[O-])cc1 ZINC000569582116 822942091 /nfs/dbraw/zinc/94/20/91/822942091.db2.gz TZRXWEWIWXLUFA-UHFFFAOYSA-N 0 0 387.592 4.426 20 5 GIBDRN Cc1c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cccc1[N+](=O)[O-] ZINC000186723935 822944842 /nfs/dbraw/zinc/94/48/42/822944842.db2.gz CNKCHPVKEGRKLK-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc([N+](=O)[O-])c1 ZINC000175369118 822948804 /nfs/dbraw/zinc/94/88/04/822948804.db2.gz BMKRECGJCZCULO-UHFFFAOYSA-N 0 0 391.383 4.047 20 5 GIBDRN CC[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000186759245 822950799 /nfs/dbraw/zinc/95/07/99/822950799.db2.gz WCROOZLSEOZUGQ-CYBMUJFWSA-N 0 0 378.425 4.043 20 5 GIBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458052478 822953654 /nfs/dbraw/zinc/95/36/54/822953654.db2.gz DTTOURJTZPSLQC-FPOVZHCZSA-N 0 0 390.443 4.189 20 5 GIBDRN CCCc1[nH]nc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000175385259 822954062 /nfs/dbraw/zinc/95/40/62/822954062.db2.gz LMOXLKIUQPFCJT-UHFFFAOYSA-N 0 0 399.451 4.042 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000186787450 822955203 /nfs/dbraw/zinc/95/52/03/822955203.db2.gz JMRYRZZZLCVBCX-CQSZACIVSA-N 0 0 385.489 4.408 20 5 GIBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458087685 822956870 /nfs/dbraw/zinc/95/68/70/822956870.db2.gz MAAPFVWEUJYLII-LEWJYISDSA-N 0 0 390.443 4.189 20 5 GIBDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000458088623 822957058 /nfs/dbraw/zinc/95/70/58/822957058.db2.gz DBJTYXVMCUTXDQ-JBYOLUDKSA-N 0 0 382.464 4.327 20 5 GIBDRN Cc1cc2c(cc1Br)N(C(=O)c1ccc([N+](=O)[O-])s1)C[C@H](C)O2 ZINC000175422640 822965117 /nfs/dbraw/zinc/96/51/17/822965117.db2.gz IPJKHNRNUSHATB-VIFPVBQESA-N 0 0 397.250 4.155 20 5 GIBDRN CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000055464703 822966634 /nfs/dbraw/zinc/96/66/34/822966634.db2.gz IMTYVRXRHHGRFV-NSHDSACASA-N 0 0 378.812 4.147 20 5 GIBDRN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000055466232 822967087 /nfs/dbraw/zinc/96/70/87/822967087.db2.gz XZCZFFBXBOAQAS-OAHLLOKOSA-N 0 0 379.416 4.368 20 5 GIBDRN Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000055466926 822967099 /nfs/dbraw/zinc/96/70/99/822967099.db2.gz HZVLXQSSGMJTPP-LBPRGKRZSA-N 0 0 384.823 4.233 20 5 GIBDRN C[C@@H](NC(=O)CCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000055467683 822967288 /nfs/dbraw/zinc/96/72/88/822967288.db2.gz UKCQMTUNEMELSW-GFCCVEGCSA-N 0 0 393.237 4.004 20 5 GIBDRN Cc1c(Cc2noc(/C=C\c3ccc(-n4ccnc4)cc3)n2)cccc1[N+](=O)[O-] ZINC000569775710 822967316 /nfs/dbraw/zinc/96/73/16/822967316.db2.gz PAHOSLXODVGGKK-YFHOEESVSA-N 0 0 387.399 4.233 20 5 GIBDRN CCOc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000186854172 822968531 /nfs/dbraw/zinc/96/85/31/822968531.db2.gz AXLSKPBGVWNISB-UHFFFAOYSA-N 0 0 378.812 4.018 20 5 GIBDRN Cc1ccc(Br)c(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000569785369 822968777 /nfs/dbraw/zinc/96/87/77/822968777.db2.gz KJYATRDJBUCZAL-UHFFFAOYSA-N 0 0 377.238 4.246 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000055484951 822969144 /nfs/dbraw/zinc/96/91/44/822969144.db2.gz SMOWJJYXZXKJRB-LJQANCHMSA-N 0 0 396.443 4.009 20 5 GIBDRN COc1ccccc1[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000186865012 822970737 /nfs/dbraw/zinc/97/07/37/822970737.db2.gz HLADAAVALBUVGO-SFHVURJKSA-N 0 0 398.440 4.438 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1OC ZINC000175467166 822976157 /nfs/dbraw/zinc/97/61/57/822976157.db2.gz YAWYUOVVIANJBS-CZUORRHYSA-N 0 0 388.420 4.209 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OC ZINC000055543330 822976498 /nfs/dbraw/zinc/97/64/98/822976498.db2.gz RHKAMKAPZGCLNC-GOSISDBHSA-N 0 0 395.415 4.071 20 5 GIBDRN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000055561198 822979216 /nfs/dbraw/zinc/97/92/16/822979216.db2.gz FEAHUNQYFZTTNL-UHFFFAOYSA-N 0 0 394.214 4.046 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000186916771 822979895 /nfs/dbraw/zinc/97/98/95/822979895.db2.gz DFWAYBFYLXDWNO-GOSISDBHSA-N 0 0 397.431 4.370 20 5 GIBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2C)sc1Cc1cccc(C)c1 ZINC000055580740 822982012 /nfs/dbraw/zinc/98/20/12/822982012.db2.gz YSBFLVVSPCOFIO-UHFFFAOYSA-N 0 0 382.445 4.215 20 5 GIBDRN C[C@H](Nc1ccc2c(c1)C(=O)CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175515055 822988559 /nfs/dbraw/zinc/98/85/59/822988559.db2.gz HJQCTBYXKWOIMG-LBPRGKRZSA-N 0 0 378.388 4.337 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000186966461 822988865 /nfs/dbraw/zinc/98/88/65/822988865.db2.gz URXIELIMCXTLQN-RHSMWYFYSA-N 0 0 392.864 4.230 20 5 GIBDRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569949865 822989026 /nfs/dbraw/zinc/98/90/26/822989026.db2.gz LYYLYBWLOHLSRY-MRXNPFEDSA-N 0 0 382.460 4.238 20 5 GIBDRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000186976322 822990816 /nfs/dbraw/zinc/99/08/16/822990816.db2.gz WDWZKUYBADEMJX-UHFFFAOYSA-N 0 0 397.431 4.379 20 5 GIBDRN Cc1ccccc1Cc1noc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000175567179 822999140 /nfs/dbraw/zinc/99/91/40/822999140.db2.gz LNINVVVLLUDYEJ-UHFFFAOYSA-N 0 0 386.839 4.162 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000055714055 823002047 /nfs/dbraw/zinc/00/20/47/823002047.db2.gz RQTUFSBSXQUASX-UHFFFAOYSA-N 0 0 389.411 4.086 20 5 GIBDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000570072350 823003315 /nfs/dbraw/zinc/00/33/15/823003315.db2.gz XOTKSZAKEDEFMS-BEFAXECRSA-N 0 0 383.448 4.286 20 5 GIBDRN Cc1sc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000187046527 823003313 /nfs/dbraw/zinc/00/33/13/823003313.db2.gz OOBVRJZZDSFLKM-MEBBXXQBSA-N 0 0 380.853 4.220 20 5 GIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000187048423 823003642 /nfs/dbraw/zinc/00/36/42/823003642.db2.gz CYEIJNXQENORCG-BLVKFPJESA-N 0 0 399.834 4.332 20 5 GIBDRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000570080163 823004129 /nfs/dbraw/zinc/00/41/29/823004129.db2.gz DIOOCOAHSBWQDJ-HNNXBMFYSA-N 0 0 377.400 4.202 20 5 GIBDRN 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823819702 /nfs/dbraw/zinc/81/97/02/823819702.db2.gz STOKBVWVZKUKFN-UHFFFAOYSA-N 0 0 390.465 4.243 20 5 GIBDRN C[C@@](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)(c1ccccc1)C(F)(F)F ZINC000413705363 823822155 /nfs/dbraw/zinc/82/21/55/823822155.db2.gz XQCWNSWLOFAOPW-LZLYRXPVSA-N 0 0 378.350 4.292 20 5 GIBDRN C[C@@H](CSCc1ccccc1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574790068 823827226 /nfs/dbraw/zinc/82/72/26/823827226.db2.gz XQQDSLWNTXOUTR-HNNXBMFYSA-N 0 0 397.500 4.304 20 5 GIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413760128 823835433 /nfs/dbraw/zinc/83/54/33/823835433.db2.gz AQSKEBZXZJFOPJ-CQSZACIVSA-N 0 0 387.436 4.081 20 5 GIBDRN COc1cc(CNCc2ncccc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000126307234 823835698 /nfs/dbraw/zinc/83/56/98/823835698.db2.gz HIHHVNVTAJWXAJ-UHFFFAOYSA-N 0 0 397.406 4.006 20 5 GIBDRN Cc1c(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000165152965 823836711 /nfs/dbraw/zinc/83/67/11/823836711.db2.gz 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COc1ccc(CSCC(=O)N(C)c2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000574936523 823864639 /nfs/dbraw/zinc/86/46/39/823864639.db2.gz XLWQPTXWDFBVDC-UHFFFAOYSA-N 0 0 394.880 4.461 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000462198391 823866334 /nfs/dbraw/zinc/86/63/34/823866334.db2.gz HUTPUSWSFIWJJO-HOCLYGCPSA-N 0 0 382.464 4.026 20 5 GIBDRN O=C(N[C@@H]1CCc2sc(Cl)cc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000574966009 823874654 /nfs/dbraw/zinc/87/46/54/823874654.db2.gz HHHKHZNHXGAIGN-SECBINFHSA-N 0 0 388.779 4.328 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)c1[N+](=O)[O-] ZINC000126466688 823875019 /nfs/dbraw/zinc/87/50/19/823875019.db2.gz BJIIDWFHULEBDM-UHFFFAOYSA-N 0 0 389.383 4.499 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)cc1[N+](=O)[O-] ZINC000574969398 823876071 /nfs/dbraw/zinc/87/60/71/823876071.db2.gz RWMNMENMBYMMJR-QGZVFWFLSA-N 0 0 398.459 4.097 20 5 GIBDRN CCN(Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c1)C(C)=O ZINC000462219377 823878508 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ZINC000120885754 823082080 /nfs/dbraw/zinc/08/20/80/823082080.db2.gz JCQVNLPIRGLYHP-CHWSQXEVSA-N 0 0 386.452 4.188 20 5 GIBDRN CN(C)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000175964299 823083600 /nfs/dbraw/zinc/08/36/00/823083600.db2.gz HTCPKUAYRQUEMY-UHFFFAOYSA-N 0 0 381.354 4.251 20 5 GIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1 ZINC000056136989 823087252 /nfs/dbraw/zinc/08/72/52/823087252.db2.gz JONOSOHRBRWSOH-UHFFFAOYSA-N 0 0 386.795 4.330 20 5 GIBDRN CCOc1cc(Cl)ccc1-c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000570809411 823089800 /nfs/dbraw/zinc/08/98/00/823089800.db2.gz YBYOJGONFQQVNV-UHFFFAOYSA-N 0 0 389.795 4.296 20 5 GIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187576324 823091245 /nfs/dbraw/zinc/09/12/45/823091245.db2.gz HVFAUSOAIGGJBJ-NRFANRHFSA-N 0 0 395.459 4.370 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3cncc(Br)c3)cs2)c1 ZINC000120956572 823092893 /nfs/dbraw/zinc/09/28/93/823092893.db2.gz ROBIGWCGHFJJFL-UHFFFAOYSA-N 0 0 391.250 4.488 20 5 GIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176022681 823098246 /nfs/dbraw/zinc/09/82/46/823098246.db2.gz CTQBGGRXVDKPIB-NEPJUHHUSA-N 0 0 387.299 4.104 20 5 GIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000120960041 823093392 /nfs/dbraw/zinc/09/33/92/823093392.db2.gz NVHAPGWIQCTXQF-UHFFFAOYSA-N 0 0 397.362 4.491 20 5 GIBDRN Cc1ccc(O[C@H](C)CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000570857983 823096867 /nfs/dbraw/zinc/09/68/67/823096867.db2.gz SPCMDBYNKHRCOA-GFCCVEGCSA-N 0 0 382.338 4.119 20 5 GIBDRN COc1cccc(NC(=O)[C@H](NCc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000056178659 823097127 /nfs/dbraw/zinc/09/71/27/823097127.db2.gz RUUZEKSBMUVBHE-OAQYLSRUSA-N 0 0 391.427 4.073 20 5 GIBDRN C[C@@H](c1ccco1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000176020565 823097570 /nfs/dbraw/zinc/09/75/70/823097570.db2.gz VDPBHMGMOMWTQU-NSHDSACASA-N 0 0 393.237 4.245 20 5 GIBDRN CCc1ccc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000570878509 823100955 /nfs/dbraw/zinc/10/09/55/823100955.db2.gz XIEQXCCRXLBGCH-YJYMSZOUSA-N 0 0 381.432 4.171 20 5 GIBDRN C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000458884531 823101644 /nfs/dbraw/zinc/10/16/44/823101644.db2.gz DBMNTNRVTITBJK-JXFKEZNVSA-N 0 0 383.448 4.047 20 5 GIBDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458890417 823102289 /nfs/dbraw/zinc/10/22/89/823102289.db2.gz PFMWXLIFJAEXIS-SCLBCKFNSA-N 0 0 385.468 4.323 20 5 GIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121021807 823104101 /nfs/dbraw/zinc/10/41/01/823104101.db2.gz VSUNHERXBYHKMJ-UHFFFAOYSA-N 0 0 379.420 4.074 20 5 GIBDRN COc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000176042626 823104758 /nfs/dbraw/zinc/10/47/58/823104758.db2.gz FKPNFBGZCVFIOC-UHFFFAOYSA-N 0 0 388.729 4.206 20 5 GIBDRN O=C(c1ccc(Br)c(F)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121049391 823109055 /nfs/dbraw/zinc/10/90/55/823109055.db2.gz ZDFGEXUDAIOUMK-UHFFFAOYSA-N 0 0 379.185 4.089 20 5 GIBDRN CCC[C@@H](Nc1ccc2c(c1)CCN2C(=O)COC)c1cccc([N+](=O)[O-])c1 ZINC000187668300 823109672 /nfs/dbraw/zinc/10/96/72/823109672.db2.gz UPNFRYBJSFPYSQ-LJQANCHMSA-N 0 0 383.448 4.084 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(COc2ccc(F)cc2)no1 ZINC000121054768 823110047 /nfs/dbraw/zinc/11/00/47/823110047.db2.gz XHALSPGDDHSTJU-SNVBAGLBSA-N 0 0 393.758 4.489 20 5 GIBDRN O=C(Cc1csc(-c2ccccc2)n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121059500 823110789 /nfs/dbraw/zinc/11/07/89/823110789.db2.gz FBSSVROCICKBIJ-UHFFFAOYSA-N 0 0 379.441 4.240 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000176069125 823111802 /nfs/dbraw/zinc/11/18/02/823111802.db2.gz CHIMOPIPFNVFAG-NVXWUHKLSA-N 0 0 389.452 4.270 20 5 GIBDRN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cc2ccccc2o1 ZINC000056278133 823119369 /nfs/dbraw/zinc/11/93/69/823119369.db2.gz OMPOEGSFQRWNDU-LBPRGKRZSA-N 0 0 378.388 4.441 20 5 GIBDRN Cc1ccc(Br)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000121104491 823119452 /nfs/dbraw/zinc/11/94/52/823119452.db2.gz PGEOOGKXODJIMG-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN Cc1c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000121103950 823119480 /nfs/dbraw/zinc/11/94/80/823119480.db2.gz VLADQCPRJIKXFT-GOSISDBHSA-N 0 0 381.388 4.104 20 5 GIBDRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000056274063 823118003 /nfs/dbraw/zinc/11/80/03/823118003.db2.gz LZFXLOJUXZBGIK-AWEZNQCLSA-N 0 0 390.823 4.367 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000176094270 823118367 /nfs/dbraw/zinc/11/83/67/823118367.db2.gz BSSCKJZIWGWIAI-AWEZNQCLSA-N 0 0 380.404 4.119 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000056288399 823122080 /nfs/dbraw/zinc/12/20/80/823122080.db2.gz LZASVXGVOCIPIC-MGPUTAFESA-N 0 0 395.459 4.240 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000459063724 823122483 /nfs/dbraw/zinc/12/24/83/823122483.db2.gz HWFBTIOLABLZAV-VQTJNVASSA-N 0 0 383.448 4.080 20 5 GIBDRN COc1cccc([C@H]2C[C@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000459085582 823125890 /nfs/dbraw/zinc/12/58/90/823125890.db2.gz UTJRPHHDLJUICB-WKILWMFISA-N 0 0 383.448 4.084 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] ZINC000176124946 823128966 /nfs/dbraw/zinc/12/89/66/823128966.db2.gz JANURZKZPRKCHD-HRAATJIYSA-N 0 0 390.443 4.448 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] ZINC000176124889 823128979 /nfs/dbraw/zinc/12/89/79/823128979.db2.gz JANURZKZPRKCHD-IERDGZPVSA-N 0 0 390.443 4.448 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c2cccc3Cl)cc1OC ZINC000056338038 823130677 /nfs/dbraw/zinc/13/06/77/823130677.db2.gz KLUUMQKTSGJNLA-OAHLLOKOSA-N 0 0 390.823 4.073 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC=C(c2ccccn2)C1 ZINC000571112885 823133940 /nfs/dbraw/zinc/13/39/40/823133940.db2.gz QYMKPRYEVQATJX-UHFFFAOYSA-N 0 0 383.473 4.420 20 5 GIBDRN C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000056401554 823143951 /nfs/dbraw/zinc/14/39/51/823143951.db2.gz FHLGZSKKGRSCHI-VXGBXAGGSA-N 0 0 379.363 4.318 20 5 GIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056402739 823144321 /nfs/dbraw/zinc/14/43/21/823144321.db2.gz SXJILYAUKWSETQ-UHFFFAOYSA-N 0 0 377.322 4.367 20 5 GIBDRN CCN(Cc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000176183790 823147347 /nfs/dbraw/zinc/14/73/47/823147347.db2.gz VCDJNTRSDTWQAS-UHFFFAOYSA-N 0 0 383.267 4.010 20 5 GIBDRN COc1ccc(Cc2nc3cc4ccccc4cc3c(=O)[nH]2)c(Cl)c1OC ZINC000121254997 823148638 /nfs/dbraw/zinc/14/86/38/823148638.db2.gz NXTPEFIOKKRCGU-UHFFFAOYSA-N 0 0 380.831 4.338 20 5 GIBDRN O=C(N[C@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000187895580 823154238 /nfs/dbraw/zinc/15/42/38/823154238.db2.gz KEAWYEFVVCDOSS-QAPCUYQASA-N 0 0 392.521 4.158 20 5 GIBDRN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121282386 823154349 /nfs/dbraw/zinc/15/43/49/823154349.db2.gz SCIZPRZVXSBXJE-UHFFFAOYSA-N 0 0 396.406 4.408 20 5 GIBDRN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571225368 823151588 /nfs/dbraw/zinc/15/15/88/823151588.db2.gz VBWPUQHBKWGYAS-HNNXBMFYSA-N 0 0 376.412 4.100 20 5 GIBDRN O=C(NC[C@H]1CCCC1(F)F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000571276132 823159617 /nfs/dbraw/zinc/15/96/17/823159617.db2.gz IEZNHISTUFGCOP-SNVBAGLBSA-N 0 0 392.352 4.125 20 5 GIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056504015 823159838 /nfs/dbraw/zinc/15/98/38/823159838.db2.gz MUVQTKAWSJIKCO-UHFFFAOYSA-N 0 0 393.447 4.370 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000176239358 823160841 /nfs/dbraw/zinc/16/08/41/823160841.db2.gz VJBRTIODOAAGSD-HHHXNRCGSA-N 0 0 392.452 4.342 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc([N+](=O)[O-])c1C ZINC000187966477 823165027 /nfs/dbraw/zinc/16/50/27/823165027.db2.gz GALVVBVEAXYSGE-CYBMUJFWSA-N 0 0 381.388 4.058 20 5 GIBDRN COc1c(-c2nc(-c3cc(Br)cs3)no2)cccc1[N+](=O)[O-] ZINC000571363498 823171651 /nfs/dbraw/zinc/17/16/51/823171651.db2.gz VADMOHDBPIULMW-UHFFFAOYSA-N 0 0 382.195 4.144 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(F)(c2ccccn2)CC1 ZINC000571337795 823167447 /nfs/dbraw/zinc/16/74/47/823167447.db2.gz XEHRFAUMTUEBFV-UHFFFAOYSA-N 0 0 397.328 4.110 20 5 GIBDRN COc1cc(CCNC(=O)Nc2ccc3occ(C)c3c2)c([N+](=O)[O-])cc1OC ZINC000188006867 823171011 /nfs/dbraw/zinc/17/10/11/823171011.db2.gz VVZPZKPZYJWXDU-UHFFFAOYSA-N 0 0 399.403 4.031 20 5 GIBDRN CC(C)c1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000188016490 823172470 /nfs/dbraw/zinc/17/24/70/823172470.db2.gz NEUNKTOQJCIFHX-UHFFFAOYSA-N 0 0 378.432 4.381 20 5 GIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000188048010 823177281 /nfs/dbraw/zinc/17/72/81/823177281.db2.gz MIHVGLCTYMKVNI-LBPRGKRZSA-N 0 0 392.481 4.188 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)s1 ZINC000188036545 823175068 /nfs/dbraw/zinc/17/50/68/823175068.db2.gz SSVAAKJUAKKZIS-LBPRGKRZSA-N 0 0 377.466 4.072 20 5 GIBDRN C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000188064173 823180338 /nfs/dbraw/zinc/18/03/38/823180338.db2.gz CERBNSDKIQIKFF-SNVBAGLBSA-N 0 0 389.260 4.082 20 5 GIBDRN CCn1c(SC[C@H]2CCC3(CCCC3)O2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000571424981 823180992 /nfs/dbraw/zinc/18/09/92/823180992.db2.gz ODYCRINZNYIEFX-MRXNPFEDSA-N 0 0 388.493 4.457 20 5 GIBDRN O=C(Nc1nnc(Cc2ccccc2F)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176320518 823181270 /nfs/dbraw/zinc/18/12/70/823181270.db2.gz GEVVAMVJAUDIIR-UHFFFAOYSA-N 0 0 392.799 4.082 20 5 GIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000188081285 823183541 /nfs/dbraw/zinc/18/35/41/823183541.db2.gz MHCXLAKXQYBVHV-QGZVFWFLSA-N 0 0 382.416 4.025 20 5 GIBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000121455637 823187866 /nfs/dbraw/zinc/18/78/66/823187866.db2.gz JDEIYMQQZFWTHY-SGTLLEGYSA-N 0 0 389.249 4.119 20 5 GIBDRN O=C1COc2c(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cccc2N1 ZINC000571485137 823189950 /nfs/dbraw/zinc/18/99/50/823189950.db2.gz FIOPBYMWNXRSKY-UHFFFAOYSA-N 0 0 381.413 4.266 20 5 GIBDRN CCc1cccc2c(CCNC(=O)c3cccc(SC)c3[N+](=O)[O-])c[nH]c21 ZINC000188154320 823195092 /nfs/dbraw/zinc/19/50/92/823195092.db2.gz JZIOKACHCROPNQ-UHFFFAOYSA-N 0 0 383.473 4.333 20 5 GIBDRN O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000121532898 823200982 /nfs/dbraw/zinc/20/09/82/823200982.db2.gz SGVWGXQAOONFKK-KSSFIOAISA-N 0 0 390.505 4.317 20 5 GIBDRN CSc1cccc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000188172070 823197416 /nfs/dbraw/zinc/19/74/16/823197416.db2.gz ORHOKNQNDXKOEP-UHFFFAOYSA-N 0 0 385.489 4.342 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000121521195 823199385 /nfs/dbraw/zinc/19/93/85/823199385.db2.gz KUICZIWZJRWODL-GOSISDBHSA-N 0 0 379.460 4.215 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000188187565 823200434 /nfs/dbraw/zinc/20/04/34/823200434.db2.gz JSHQERHTOPORJB-HXUWFJFHSA-N 0 0 388.427 4.364 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)oc1C ZINC000056739584 823204183 /nfs/dbraw/zinc/20/41/83/823204183.db2.gz HNSYUVBQPWKKAI-UHFFFAOYSA-N 0 0 380.404 4.231 20 5 GIBDRN O=C(NCc1ccc2ccccc2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000121579831 823210065 /nfs/dbraw/zinc/21/00/65/823210065.db2.gz ULJPUQMUIWMNEZ-UHFFFAOYSA-N 0 0 389.455 4.281 20 5 GIBDRN C[C@@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000176467804 823214213 /nfs/dbraw/zinc/21/42/13/823214213.db2.gz XVTYKQKLNFKNNT-CQSZACIVSA-N 0 0 388.489 4.273 20 5 GIBDRN CC(C)Cn1ncc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000571674518 823217222 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397.431 4.108 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000460280533 823338682 /nfs/dbraw/zinc/33/86/82/823338682.db2.gz CUYDHLUIWYBRQB-SMDDNHRTSA-N 0 0 383.374 4.040 20 5 GIBDRN O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000016709960 818467770 /nfs/dbraw/zinc/46/77/70/818467770.db2.gz BLWZSCRBZCEEBM-UHFFFAOYSA-N 0 0 391.214 4.399 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000016735890 818471004 /nfs/dbraw/zinc/47/10/04/818471004.db2.gz YIDRITCYLRTPHZ-AWEZNQCLSA-N 0 0 398.893 4.072 20 5 GIBDRN Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000016736000 818471810 /nfs/dbraw/zinc/47/18/10/818471810.db2.gz GXRSPJSOAIYNOE-AWEZNQCLSA-N 0 0 398.893 4.072 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000057874090 823343462 /nfs/dbraw/zinc/34/34/62/823343462.db2.gz PPRAVTVLFCCXAK-NSHDSACASA-N 0 0 382.247 4.499 20 5 GIBDRN 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ZINC000017937247 818534389 /nfs/dbraw/zinc/53/43/89/818534389.db2.gz MDRBDKHGHYBEKV-UHFFFAOYSA-N 0 0 375.377 4.452 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000176991448 823344410 /nfs/dbraw/zinc/34/44/10/823344410.db2.gz GTJJABPHJGMXHQ-OAHLLOKOSA-N 0 0 398.463 4.233 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC000460298858 823344545 /nfs/dbraw/zinc/34/45/45/823344545.db2.gz QANBJKSLSZOQTM-CRAIPNDOSA-N 0 0 377.448 4.256 20 5 GIBDRN CC(C)[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000057886527 823344903 /nfs/dbraw/zinc/34/49/03/823344903.db2.gz HGCJZQYDXSJAPB-HXUWFJFHSA-N 0 0 395.463 4.177 20 5 GIBDRN Cc1ccccc1CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000018110506 818546912 /nfs/dbraw/zinc/54/69/12/818546912.db2.gz PRFWMZMWLIPVJE-UHFFFAOYSA-N 0 0 395.484 4.076 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN3CCC(Oc4ccc(F)cc4F)CC3)nc2c1 ZINC000177012478 823349350 /nfs/dbraw/zinc/34/93/50/823349350.db2.gz LVSHIUVEBXJXQF-UHFFFAOYSA-N 0 0 389.358 4.058 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H](C)c1sc(C)nc1C ZINC000460302405 823345912 /nfs/dbraw/zinc/34/59/12/823345912.db2.gz FAHNKBQRMYZKMC-LBPRGKRZSA-N 0 0 386.481 4.144 20 5 GIBDRN C[C@H](C(=O)N(C)Cc1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000572475902 823346739 /nfs/dbraw/zinc/34/67/39/823346739.db2.gz CFBWZNPPAFAVAJ-NSHDSACASA-N 0 0 395.228 4.259 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000018800350 818577831 /nfs/dbraw/zinc/57/78/31/818577831.db2.gz DCVVADFULVDRTR-SECBINFHSA-N 0 0 391.742 4.355 20 5 GIBDRN Cc1ccccc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018833838 818578768 /nfs/dbraw/zinc/57/87/68/818578768.db2.gz FPJXWOLHYOBKCQ-UHFFFAOYSA-N 0 0 384.379 4.331 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(Nc3ccccc3F)s2)c([N+](=O)[O-])c1 ZINC000018900844 818579823 /nfs/dbraw/zinc/57/98/23/818579823.db2.gz UQVZITKERJOSDC-UHFFFAOYSA-N 0 0 393.381 4.388 20 5 GIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000019163528 818585779 /nfs/dbraw/zinc/58/57/79/818585779.db2.gz RBJFRFSXCDAIPW-UHFFFAOYSA-N 0 0 383.383 4.189 20 5 GIBDRN COc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c([N+](=O)[O-])c1 ZINC000019160185 818585795 /nfs/dbraw/zinc/58/57/95/818585795.db2.gz QVMHHJWHIJNSOG-UHFFFAOYSA-N 0 0 396.399 4.246 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000019159485 818585820 /nfs/dbraw/zinc/58/58/20/818585820.db2.gz NCXQRZCWJARHIB-UHFFFAOYSA-N 0 0 378.384 4.288 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2Cl)cc1OC ZINC000019358336 818591919 /nfs/dbraw/zinc/59/19/19/818591919.db2.gz BBAAUQHLOPNMIA-NSHDSACASA-N 0 0 378.812 4.147 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000019678988 818597786 /nfs/dbraw/zinc/59/77/86/818597786.db2.gz LGKJUIFOJQHIFR-HNNXBMFYSA-N 0 0 386.496 4.401 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000019945124 818608356 /nfs/dbraw/zinc/60/83/56/818608356.db2.gz LERSENFRCKIZOJ-UHFFFAOYSA-N 0 0 393.365 4.395 20 5 GIBDRN CN(Cc1csc(Br)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177022575 823351749 /nfs/dbraw/zinc/35/17/49/823351749.db2.gz SMCQSSMKWJOHCS-UHFFFAOYSA-N 0 0 382.239 4.192 20 5 GIBDRN Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000020751328 818630608 /nfs/dbraw/zinc/63/06/08/818630608.db2.gz BJFGGKKPTAWEAC-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1Cl ZINC000020815032 818631980 /nfs/dbraw/zinc/63/19/80/818631980.db2.gz HITVXOXFHRXUJT-VIFPVBQESA-N 0 0 397.214 4.164 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000122431607 823353109 /nfs/dbraw/zinc/35/31/09/823353109.db2.gz YIEPZLKXPXFRHT-UHFFFAOYSA-N 0 0 379.420 4.027 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000021007028 818647818 /nfs/dbraw/zinc/64/78/18/818647818.db2.gz CBHJAEPIWFHOJJ-UHFFFAOYSA-N 0 0 391.383 4.377 20 5 GIBDRN COc1ccc(C(F)(F)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000122440104 823354416 /nfs/dbraw/zinc/35/44/16/823354416.db2.gz JHJPOPYDFNMPCM-UHFFFAOYSA-N 0 0 378.375 4.132 20 5 GIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000409960461 823354480 /nfs/dbraw/zinc/35/44/80/823354480.db2.gz GKALGTXIJPDDAC-UHFFFAOYSA-N 0 0 375.787 4.001 20 5 GIBDRN CCn1c(-c2cc(C)oc2C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460314291 823350347 /nfs/dbraw/zinc/35/03/47/823350347.db2.gz SMXOLIYBHFHADK-UHFFFAOYSA-N 0 0 381.436 4.252 20 5 GIBDRN Cc1cc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000021352322 818679015 /nfs/dbraw/zinc/67/90/15/818679015.db2.gz YQIVEVFGOGROTG-NSHDSACASA-N 0 0 379.210 4.072 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021499807 818697107 /nfs/dbraw/zinc/69/71/07/818697107.db2.gz ZXOCPOAMYWPMIQ-GFCCVEGCSA-N 0 0 398.346 4.178 20 5 GIBDRN O=C(OC[C@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000021729700 818731043 /nfs/dbraw/zinc/73/10/43/818731043.db2.gz NGMGJOLPLAFDRL-OAHLLOKOSA-N 0 0 377.780 4.376 20 5 GIBDRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409976996 823360052 /nfs/dbraw/zinc/36/00/52/823360052.db2.gz DPAMFHPOFVDMGB-UHFFFAOYSA-N 0 0 381.413 4.090 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000021902178 818753827 /nfs/dbraw/zinc/75/38/27/818753827.db2.gz UFOGWRNFOQXLIG-LLVKDONJSA-N 0 0 377.491 4.440 20 5 GIBDRN O=C(NCc1ccccc1OCC1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122496373 823363207 /nfs/dbraw/zinc/36/32/07/823363207.db2.gz IYSXSJWDCBKKAC-UHFFFAOYSA-N 0 0 395.459 4.258 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000177065957 823363412 /nfs/dbraw/zinc/36/34/12/823363412.db2.gz FBVNTPCIQDLNIG-PWSUYJOCSA-N 0 0 377.491 4.381 20 5 GIBDRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359299 823363551 /nfs/dbraw/zinc/36/35/51/823363551.db2.gz NRGMELSJYPAYCP-SGTLLEGYSA-N 0 0 392.864 4.290 20 5 GIBDRN CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc1C ZINC000022285482 818789779 /nfs/dbraw/zinc/78/97/79/818789779.db2.gz GMEGNPIWAAKPFZ-GFCCVEGCSA-N 0 0 390.461 4.410 20 5 GIBDRN O=[N+]([O-])c1cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1Cl ZINC000122526539 823367166 /nfs/dbraw/zinc/36/71/66/823367166.db2.gz XTEYKHHTLLJOHN-UHFFFAOYSA-N 0 0 399.838 4.073 20 5 GIBDRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000058138494 823364357 /nfs/dbraw/zinc/36/43/57/823364357.db2.gz PUVIJHDSWFRBGA-UHFFFAOYSA-N 0 0 399.366 4.327 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122510925 823365269 /nfs/dbraw/zinc/36/52/69/823365269.db2.gz UGOPAVCOZJSIIB-GFCCVEGCSA-N 0 0 380.853 4.241 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000022501341 818818664 /nfs/dbraw/zinc/81/86/64/818818664.db2.gz PZZZOCWAZHIIBW-LSDHHAIUSA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1ccc(CSCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460368213 823365815 /nfs/dbraw/zinc/36/58/15/823365815.db2.gz YBJGQYGTNWBMTI-LJQANCHMSA-N 0 0 388.514 4.411 20 5 GIBDRN CCCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1[C@@H](CC)N(C)C ZINC000058165716 823365919 /nfs/dbraw/zinc/36/59/19/823365919.db2.gz IFCAZEQUKIRRQK-MRXNPFEDSA-N 0 0 377.514 4.291 20 5 GIBDRN CCn1cc(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000460368262 823365915 /nfs/dbraw/zinc/36/59/15/823365915.db2.gz YUZYFOCGLKVODQ-OAQYLSRUSA-N 0 0 395.484 4.386 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000022547592 818823543 /nfs/dbraw/zinc/82/35/43/818823543.db2.gz CNGQMFFTKHVUOM-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000022547537 818823550 /nfs/dbraw/zinc/82/35/50/818823550.db2.gz AIWHSWLJLXKZQB-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000022668432 818839371 /nfs/dbraw/zinc/83/93/71/818839371.db2.gz MUCMBEYMMQFLED-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000022671469 818840117 /nfs/dbraw/zinc/84/01/17/818840117.db2.gz SSKKYFGSTAZXAD-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000022911063 818875437 /nfs/dbraw/zinc/87/54/37/818875437.db2.gz QEDYHTRXBRIZAT-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CO1 ZINC000460382599 823370695 /nfs/dbraw/zinc/37/06/95/823370695.db2.gz BYEQVIBSEOIUEH-XOBRGWDASA-N 0 0 380.400 4.252 20 5 GIBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000023052311 818893452 /nfs/dbraw/zinc/89/34/52/818893452.db2.gz ZELVCFDMPJTCPE-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000023445096 818941699 /nfs/dbraw/zinc/94/16/99/818941699.db2.gz XGOISJQNEOBWKL-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)o1 ZINC000023495657 818948648 /nfs/dbraw/zinc/94/86/48/818948648.db2.gz IBXMABGZABYVQD-UHFFFAOYSA-N 0 0 379.416 4.381 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000460405547 823378320 /nfs/dbraw/zinc/37/83/20/823378320.db2.gz AFWDLGUMAFGKST-QWHCGFSZSA-N 0 0 394.880 4.313 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024028224 819011171 /nfs/dbraw/zinc/01/11/71/819011171.db2.gz LPNOWPXBHHVNGX-UHFFFAOYSA-N 0 0 381.413 4.090 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410051248 823380381 /nfs/dbraw/zinc/38/03/81/823380381.db2.gz GAVRVLITVBXQSD-CQSZACIVSA-N 0 0 392.209 4.003 20 5 GIBDRN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000177146678 823382496 /nfs/dbraw/zinc/38/24/96/823382496.db2.gz HULNFMKJZFMBRS-CYBMUJFWSA-N 0 0 387.411 4.083 20 5 GIBDRN C[C@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024497594 819064915 /nfs/dbraw/zinc/06/49/15/819064915.db2.gz UOUGUTIIDJEPLW-JTQLQIEISA-N 0 0 388.376 4.133 20 5 GIBDRN O=C(NCCc1cccc(Cl)c1Cl)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058398269 823385974 /nfs/dbraw/zinc/38/59/74/823385974.db2.gz UNQSGENIXZEMSW-UHFFFAOYSA-N 0 0 378.215 4.355 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000572706364 823386440 /nfs/dbraw/zinc/38/64/40/823386440.db2.gz KKHCCXAZWPUHPQ-OUAUKWLOSA-N 0 0 387.299 4.460 20 5 GIBDRN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000177175246 823391317 /nfs/dbraw/zinc/39/13/17/823391317.db2.gz JKBUVUGPRGIOJN-ZDUSSCGKSA-N 0 0 387.411 4.083 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3[C@@H](c4ccccc4)C3(F)F)n2)c1 ZINC000572762387 823394193 /nfs/dbraw/zinc/39/41/93/823394193.db2.gz KIWAILZOMBOSOV-SJORKVTESA-N 0 0 387.342 4.094 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000058456149 823394609 /nfs/dbraw/zinc/39/46/09/823394609.db2.gz CHYNWEIIHZAIDM-UHFFFAOYSA-N 0 0 386.423 4.228 20 5 GIBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177204116 823398639 /nfs/dbraw/zinc/39/86/39/823398639.db2.gz RASGHKDAIIKOFK-UHFFFAOYSA-N 0 0 396.378 4.103 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1Br ZINC000122697460 823396485 /nfs/dbraw/zinc/39/64/85/823396485.db2.gz PVGPJDZLPJJHMH-UHFFFAOYSA-N 0 0 395.600 4.139 20 5 GIBDRN CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000572800854 823401185 /nfs/dbraw/zinc/40/11/85/823401185.db2.gz RVIVWWJERXXEQY-RDTXWAMCSA-N 0 0 394.431 4.401 20 5 GIBDRN Cc1ccc(C)c([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000572802727 823401848 /nfs/dbraw/zinc/40/18/48/823401848.db2.gz OHONROCRTKZNGX-IBGZPJMESA-N 0 0 377.448 4.349 20 5 GIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C2SCCS2)cc1 ZINC000122731109 823402179 /nfs/dbraw/zinc/40/21/79/823402179.db2.gz GWRNPMVINFZUDI-UHFFFAOYSA-N 0 0 386.458 4.202 20 5 GIBDRN CCc1ccc(-c2nc(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1 ZINC000058522168 823403464 /nfs/dbraw/zinc/40/34/64/823403464.db2.gz BSULBELXDARFCR-UHFFFAOYSA-N 0 0 393.468 4.413 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000058529879 823404539 /nfs/dbraw/zinc/40/45/39/823404539.db2.gz HJSVCIMDWYOROT-UHFFFAOYSA-N 0 0 395.337 4.188 20 5 GIBDRN O=C(Nc1ccccc1)c1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000058543637 823406806 /nfs/dbraw/zinc/40/68/06/823406806.db2.gz IGSJNWWFFGMJFT-UHFFFAOYSA-N 0 0 380.385 4.349 20 5 GIBDRN COc1ccc(F)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000189395841 823407879 /nfs/dbraw/zinc/40/78/79/823407879.db2.gz KLMCNZNFZVMAGS-UHFFFAOYSA-N 0 0 378.425 4.173 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)[C@@H]1C[C@@H]1C ZINC000572873342 823412257 /nfs/dbraw/zinc/41/22/57/823412257.db2.gz NYFNEPWTVOOYKZ-FKIZINRSSA-N 0 0 392.415 4.090 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000460512633 823413917 /nfs/dbraw/zinc/41/39/17/823413917.db2.gz AFHXZCCMFDCAIM-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN O=C(Nc1ccccc1C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122792049 823413057 /nfs/dbraw/zinc/41/30/57/823413057.db2.gz SDUWPTXCAJITMI-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN O=C(CCc1cccc(OC2CCCC2)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000460501080 823409896 /nfs/dbraw/zinc/40/98/96/823409896.db2.gz FRAATSBYYSZCLX-UHFFFAOYSA-N 0 0 382.460 4.208 20 5 GIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000410187292 823414226 /nfs/dbraw/zinc/41/42/26/823414226.db2.gz CJYHIVBSLIURIT-UHFFFAOYSA-N 0 0 382.445 4.035 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c(OC)ccc2ccccc21 ZINC000410191923 823415236 /nfs/dbraw/zinc/41/52/36/823415236.db2.gz NHXKGHVDWMLBPI-UHFFFAOYSA-N 0 0 381.388 4.087 20 5 GIBDRN COc1cc(N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000572896708 823416443 /nfs/dbraw/zinc/41/64/43/823416443.db2.gz DCYXXFPXRXETAN-VFNWGFHPSA-N 0 0 386.448 4.341 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 ZINC000410203307 823418965 /nfs/dbraw/zinc/41/89/65/823418965.db2.gz AYSKZCFTQYKKCO-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN Cc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000460532196 823421971 /nfs/dbraw/zinc/42/19/71/823421971.db2.gz CTSFUDXENXVMSC-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN C[C@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000410225770 823425104 /nfs/dbraw/zinc/42/51/04/823425104.db2.gz VFFFITHHVZPOMG-GOSISDBHSA-N 0 0 384.479 4.465 20 5 GIBDRN COc1cccc([C@H](C)CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000177316604 823431145 /nfs/dbraw/zinc/43/11/45/823431145.db2.gz AWXPGBHOZNZWCO-MRXNPFEDSA-N 0 0 398.459 4.167 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(CC)Cc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000058699897 823434814 /nfs/dbraw/zinc/43/48/14/823434814.db2.gz HUEPQBXJGJYGCH-UHFFFAOYSA-N 0 0 390.823 4.087 20 5 GIBDRN CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000573038011 823437967 /nfs/dbraw/zinc/43/79/67/823437967.db2.gz OQNNEIZRAJRHPR-UHFFFAOYSA-N 0 0 375.400 4.229 20 5 GIBDRN COc1ccc2c(c1)CCN2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000058715950 823438064 /nfs/dbraw/zinc/43/80/64/823438064.db2.gz HWTNEILTHCZRGA-UHFFFAOYSA-N 0 0 395.459 4.043 20 5 GIBDRN CCCCSc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000025070139 819920064 /nfs/dbraw/zinc/92/00/64/819920064.db2.gz LMHMIZZSNIHCHG-UHFFFAOYSA-N 0 0 384.508 4.069 20 5 GIBDRN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000025414776 819977138 /nfs/dbraw/zinc/97/71/38/819977138.db2.gz GUTLZORBYVFKEV-SFHVURJKSA-N 0 0 389.839 4.032 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Nc2ccc(NC(=O)CC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000025496983 819991332 /nfs/dbraw/zinc/99/13/32/819991332.db2.gz QHLLJTQPQNKILA-HNNXBMFYSA-N 0 0 398.463 4.327 20 5 GIBDRN CC(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000025693626 820015370 /nfs/dbraw/zinc/01/53/70/820015370.db2.gz DQRNSAOKDYBAEH-KKSFZXQISA-N 0 0 395.459 4.464 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000025786479 820024694 /nfs/dbraw/zinc/02/46/94/820024694.db2.gz SYSUHYOELJLUFH-UHFFFAOYSA-N 0 0 398.850 4.225 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cccc1[N+](=O)[O-] ZINC000123009310 823447563 /nfs/dbraw/zinc/44/75/63/823447563.db2.gz SOCFVMNYSYOBHM-UHFFFAOYSA-N 0 0 398.806 4.320 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccco3)Cc3ccco3)n2)c1 ZINC000025928370 820040816 /nfs/dbraw/zinc/04/08/16/820040816.db2.gz HNDCZYAADSBZGR-UHFFFAOYSA-N 0 0 380.360 4.033 20 5 GIBDRN Cc1c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cccc1[N+](=O)[O-] ZINC000058770652 823448007 /nfs/dbraw/zinc/44/80/07/823448007.db2.gz WWROKXSZTWCDLI-MRXNPFEDSA-N 0 0 376.359 4.312 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000058770926 823448289 /nfs/dbraw/zinc/44/82/89/823448289.db2.gz HVXYRBKUTARDEG-MRXNPFEDSA-N 0 0 392.358 4.012 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000026332725 820085640 /nfs/dbraw/zinc/08/56/40/820085640.db2.gz PPUVTVJEXDAZCN-GFCCVEGCSA-N 0 0 379.819 4.155 20 5 GIBDRN CCNc1ccc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000460602434 823451616 /nfs/dbraw/zinc/45/16/16/823451616.db2.gz CRCPMQQMUJWQTL-IERDGZPVSA-N 0 0 397.475 4.246 20 5 GIBDRN C[C@@H](NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000026347262 820086690 /nfs/dbraw/zinc/08/66/90/820086690.db2.gz YJAWVSHSSPACJT-GFCCVEGCSA-N 0 0 396.274 4.211 20 5 GIBDRN CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349307 820087658 /nfs/dbraw/zinc/08/76/58/820087658.db2.gz XYOYGPKUMAEQFO-UHFFFAOYSA-N 0 0 375.428 4.479 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)cn1 ZINC000026594631 820119326 /nfs/dbraw/zinc/11/93/26/820119326.db2.gz NVXMJZKXHXHZRQ-UHFFFAOYSA-N 0 0 388.880 4.180 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000026696610 820133328 /nfs/dbraw/zinc/13/33/28/820133328.db2.gz KOCFXEHEKQZNHB-LBPRGKRZSA-N 0 0 384.413 4.302 20 5 GIBDRN C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027043143 820184511 /nfs/dbraw/zinc/18/45/11/820184511.db2.gz NPINRPUPCRRVOB-LBPRGKRZSA-N 0 0 382.420 4.473 20 5 GIBDRN C[C@@H](C(=O)NCCOc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000573177585 823461129 /nfs/dbraw/zinc/46/11/29/823461129.db2.gz FTUVKWRTVWDTDC-LLVKDONJSA-N 0 0 383.231 4.200 20 5 GIBDRN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027305444 820223106 /nfs/dbraw/zinc/22/31/06/820223106.db2.gz GRPKOMZCQSLPKO-NSHDSACASA-N 0 0 387.823 4.088 20 5 GIBDRN O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000027391087 820237799 /nfs/dbraw/zinc/23/77/99/820237799.db2.gz JABACCGDKBEHJZ-UHFFFAOYSA-N 0 0 392.367 4.217 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000027533166 820256539 /nfs/dbraw/zinc/25/65/39/820256539.db2.gz QEWXLNOLSPHYST-UHFFFAOYSA-N 0 0 389.868 4.259 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CN1C(=O)c2cccc3cccc1c23 ZINC000027533362 820256620 /nfs/dbraw/zinc/25/66/20/820256620.db2.gz OGBDXNRTLRGFDU-UHFFFAOYSA-N 0 0 381.819 4.451 20 5 GIBDRN Cc1nc(-c2ccc([C@H](C)Nc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)cs1 ZINC000027546113 820258583 /nfs/dbraw/zinc/25/85/83/820258583.db2.gz SNPZIKAUEVVRTM-NSHDSACASA-N 0 0 382.445 4.299 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3cc(C)ccn3)cc2[N+](=O)[O-])n1 ZINC000027646007 820270375 /nfs/dbraw/zinc/27/03/75/820270375.db2.gz IOCPJVYYJWQMAP-UHFFFAOYSA-N 0 0 386.458 4.467 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCSc3ccccc32)cc1OC ZINC000028248655 820320490 /nfs/dbraw/zinc/32/04/90/820320490.db2.gz LICXWPJCAGMMEZ-UHFFFAOYSA-N 0 0 388.445 4.145 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000189660317 823469624 /nfs/dbraw/zinc/46/96/24/823469624.db2.gz VSZDCKMESXGZDK-LJQANCHMSA-N 0 0 390.386 4.210 20 5 GIBDRN CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028266514 820321602 /nfs/dbraw/zinc/32/16/02/820321602.db2.gz HIPWAMUIOZEFHI-UHFFFAOYSA-N 0 0 381.413 4.185 20 5 GIBDRN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1[C@H]1CCCO1 ZINC000573251456 823470743 /nfs/dbraw/zinc/47/07/43/823470743.db2.gz NJJQXGGZKCRKFX-KGLIPLIRSA-N 0 0 387.358 4.035 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000177472403 823470800 /nfs/dbraw/zinc/47/08/00/823470800.db2.gz IGTSPNHUOKRFQG-LLVKDONJSA-N 0 0 385.203 4.178 20 5 GIBDRN C[C@@H]1C[C@]1(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000410357821 823473138 /nfs/dbraw/zinc/47/31/38/823473138.db2.gz CFGUPTMIUXTXFP-MPBGBICISA-N 0 0 383.835 4.324 20 5 GIBDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000177485092 823473368 /nfs/dbraw/zinc/47/33/68/823473368.db2.gz KJEAQYXNTAGYBM-UHFFFAOYSA-N 0 0 399.450 4.351 20 5 GIBDRN O=[N+]([O-])c1cccc(CSc2n[nH]c(-c3ccccc3Br)n2)c1 ZINC000028831067 820361174 /nfs/dbraw/zinc/36/11/74/820361174.db2.gz RKTROFYZTIHJSA-UHFFFAOYSA-N 0 0 391.250 4.435 20 5 GIBDRN CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028928876 820374497 /nfs/dbraw/zinc/37/44/97/820374497.db2.gz LSJGVKZWMDFJKP-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000123179393 823474949 /nfs/dbraw/zinc/47/49/49/823474949.db2.gz HHLNGIRIDCFKBZ-FQEVSTJZSA-N 0 0 392.415 4.218 20 5 GIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189685295 823475203 /nfs/dbraw/zinc/47/52/03/823475203.db2.gz QDYUVCLRTFSSSB-LJQANCHMSA-N 0 0 376.416 4.352 20 5 GIBDRN Cc1ccnc(-n2c(Sc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 ZINC000029072466 820389673 /nfs/dbraw/zinc/38/96/73/820389673.db2.gz AZPVOXOKWQYDJT-UHFFFAOYSA-N 0 0 390.424 4.149 20 5 GIBDRN COCc1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000029143686 820398861 /nfs/dbraw/zinc/39/88/61/820398861.db2.gz GBLRUOAERKXJLG-OAHLLOKOSA-N 0 0 383.448 4.230 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189696398 823477676 /nfs/dbraw/zinc/47/76/76/823477676.db2.gz RFFOOANFPVEVJE-UHFFFAOYSA-N 0 0 381.354 4.068 20 5 GIBDRN COc1ccc(CSCC(=O)NCCCC2CCCCC2)cc1[N+](=O)[O-] ZINC000029229397 820415271 /nfs/dbraw/zinc/41/52/71/820415271.db2.gz AYFZNFRXGMFEKA-UHFFFAOYSA-N 0 0 380.510 4.313 20 5 GIBDRN C[C@H]1CCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000573296533 823477855 /nfs/dbraw/zinc/47/78/55/823477855.db2.gz MCBONHRALASPJU-INIZCTEOSA-N 0 0 377.448 4.280 20 5 GIBDRN CC(C)(NC(=O)Cc1ccc(F)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000573331728 823480838 /nfs/dbraw/zinc/48/08/38/823480838.db2.gz CEIVOSSSAJJYFK-UHFFFAOYSA-N 0 0 395.228 4.090 20 5 GIBDRN Cc1ccc(-n2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2C(F)(F)F)cc1 ZINC000029508351 820465497 /nfs/dbraw/zinc/46/54/97/820465497.db2.gz LOIBHELHOPOZEG-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN COC(=O)c1c(C2CC2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000177520866 823481282 /nfs/dbraw/zinc/48/12/82/823481282.db2.gz QTJNKJXWGZVLEK-UHFFFAOYSA-N 0 0 380.809 4.226 20 5 GIBDRN COc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2cccnc12 ZINC000123238299 823483460 /nfs/dbraw/zinc/48/34/60/823483460.db2.gz IEXRVLXQIQZTRA-UHFFFAOYSA-N 0 0 392.415 4.348 20 5 GIBDRN Cc1noc(CSc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000029602208 820482613 /nfs/dbraw/zinc/48/26/13/820482613.db2.gz GLYFTWVAYRZQND-UHFFFAOYSA-N 0 0 384.417 4.139 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029712159 820504076 /nfs/dbraw/zinc/50/40/76/820504076.db2.gz IPDAWZGJOVRDAB-NRFANRHFSA-N 0 0 388.427 4.084 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnccc1-c1cccc(F)c1 ZINC000177535794 823484994 /nfs/dbraw/zinc/48/49/94/823484994.db2.gz QXCJCOIYOGFZNM-UHFFFAOYSA-N 0 0 380.379 4.237 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000123252419 823485701 /nfs/dbraw/zinc/48/57/01/823485701.db2.gz IUWPKFHJMCUFRN-LPHOPBHVSA-N 0 0 399.491 4.066 20 5 GIBDRN O=[N+]([O-])c1cccc(OCCSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000059123707 823486553 /nfs/dbraw/zinc/48/65/53/823486553.db2.gz OFPHKWSDLSVHQE-UHFFFAOYSA-N 0 0 382.445 4.224 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410399492 823486775 /nfs/dbraw/zinc/48/67/75/823486775.db2.gz OQVMEIZWBHBVAP-UHFFFAOYSA-N 0 0 388.729 4.371 20 5 GIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889056 820539913 /nfs/dbraw/zinc/53/99/13/820539913.db2.gz BXGMRDMJUMMGEN-UHFFFAOYSA-N 0 0 397.412 4.013 20 5 GIBDRN Cc1nc2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc2n1-c1ccccc1 ZINC000029889636 820540539 /nfs/dbraw/zinc/54/05/39/820540539.db2.gz RCASTUKACIUGOD-UHFFFAOYSA-N 0 0 398.422 4.445 20 5 GIBDRN O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000410412362 823489958 /nfs/dbraw/zinc/48/99/58/823489958.db2.gz BLRFZZIAJFWIJC-UHFFFAOYSA-N 0 0 393.790 4.234 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nocc2C)cc1[N+](=O)[O-] ZINC000123305143 823493603 /nfs/dbraw/zinc/49/36/03/823493603.db2.gz PXQHTJGUBRGIGD-UHFFFAOYSA-N 0 0 397.412 4.096 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000030151476 820579732 /nfs/dbraw/zinc/57/97/32/820579732.db2.gz ZDIIOGDGNDQGEF-KBXCAEBGSA-N 0 0 383.448 4.223 20 5 GIBDRN Cc1sc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000030250846 820591033 /nfs/dbraw/zinc/59/10/33/820591033.db2.gz QXZIBTUBVJXZKQ-GFCCVEGCSA-N 0 0 393.896 4.137 20 5 GIBDRN COc1ncccc1CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000030306816 820598073 /nfs/dbraw/zinc/59/80/73/820598073.db2.gz YPOMRQLPYINSHU-UHFFFAOYSA-N 0 0 389.477 4.067 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410416447 823491000 /nfs/dbraw/zinc/49/10/00/823491000.db2.gz HGTDOSMSSBXTBD-UHFFFAOYSA-N 0 0 386.301 4.246 20 5 GIBDRN CC[C@@H]1CCc2nc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)sc2C1 ZINC000059318005 823491513 /nfs/dbraw/zinc/49/15/13/823491513.db2.gz NOEGZMFMEQMQIX-GFCCVEGCSA-N 0 0 397.460 4.004 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC000030493603 820623377 /nfs/dbraw/zinc/62/33/77/820623377.db2.gz XELBIDDMLCMUCX-UHFFFAOYSA-N 0 0 385.397 4.038 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000030529873 820633343 /nfs/dbraw/zinc/63/33/43/820633343.db2.gz IUDCPXQFRDYZNW-UHFFFAOYSA-N 0 0 394.758 4.376 20 5 GIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(Cc2ccccc2)s1 ZINC000123299394 823492782 /nfs/dbraw/zinc/49/27/82/823492782.db2.gz CVHXTYIGDWQRTM-ZDUSSCGKSA-N 0 0 379.441 4.234 20 5 GIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000410423444 823492976 /nfs/dbraw/zinc/49/29/76/823492976.db2.gz SBNXXQKHUMMNCJ-OWQGQXMQSA-N 0 0 396.443 4.368 20 5 GIBDRN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123326012 823496619 /nfs/dbraw/zinc/49/66/19/823496619.db2.gz MBQSJUXMYJLDKF-INIZCTEOSA-N 0 0 392.253 4.063 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nccn1Cc1ccccc1 ZINC000030733594 820674932 /nfs/dbraw/zinc/67/49/32/820674932.db2.gz PXHOAAVOOADSOS-OAHLLOKOSA-N 0 0 397.456 4.064 20 5 GIBDRN C[C@@H](OCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1 ZINC000059733944 823497519 /nfs/dbraw/zinc/49/75/19/823497519.db2.gz BPCKSQZRNAKVHM-QGZVFWFLSA-N 0 0 397.475 4.411 20 5 GIBDRN COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 ZINC000410466455 823497722 /nfs/dbraw/zinc/49/77/22/823497722.db2.gz NXWBRYYNGANKSG-UHFFFAOYSA-N 0 0 380.322 4.041 20 5 GIBDRN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410474313 823498308 /nfs/dbraw/zinc/49/83/08/823498308.db2.gz WYXAEUPVEBVTNB-YVEFUNNKSA-N 0 0 394.349 4.216 20 5 GIBDRN C[C@@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000177596856 823498490 /nfs/dbraw/zinc/49/84/90/823498490.db2.gz HKJKITFEVFCQNU-CYBMUJFWSA-N 0 0 376.372 4.269 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000059785211 823498875 /nfs/dbraw/zinc/49/88/75/823498875.db2.gz YZRPKATYTOZDNS-UHFFFAOYSA-N 0 0 388.326 4.078 20 5 GIBDRN CN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000030965706 820712138 /nfs/dbraw/zinc/71/21/38/820712138.db2.gz JFNDMEUVZICWRS-KRWDZBQOSA-N 0 0 396.472 4.004 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000123344573 823499389 /nfs/dbraw/zinc/49/93/89/823499389.db2.gz ADUAQMBANHWJHS-DZGCQCFKSA-N 0 0 380.853 4.038 20 5 GIBDRN Cc1c(C(=O)NCc2cccc(COc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000059826549 823499975 /nfs/dbraw/zinc/49/99/75/823499975.db2.gz BEGBMYFUCRAYJY-UHFFFAOYSA-N 0 0 376.412 4.412 20 5 GIBDRN Cc1nc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)ccc1[N+](=O)[O-] ZINC000410554330 823503844 /nfs/dbraw/zinc/50/38/44/823503844.db2.gz RHQOROIDRMVVIX-UHFFFAOYSA-N 0 0 379.388 4.331 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c3ncccc23)cc1OC ZINC000031096238 820740254 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0 0 396.321 4.050 20 5 GIBDRN COc1ccc([C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000031257987 820779787 /nfs/dbraw/zinc/77/97/87/820779787.db2.gz ASTXCMFGVJQHJX-OAQYLSRUSA-N 0 0 395.459 4.085 20 5 GIBDRN CCc1nc2ccccc2n1Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000460745705 823502795 /nfs/dbraw/zinc/50/27/95/823502795.db2.gz DRSGGPSJINZAOA-KHPPLWFESA-N 0 0 375.388 4.109 20 5 GIBDRN CSc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000177624724 823503461 /nfs/dbraw/zinc/50/34/61/823503461.db2.gz FRNFBFPBNQTZBR-UHFFFAOYSA-N 0 0 394.412 4.477 20 5 GIBDRN COc1cc(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000410545842 823503523 /nfs/dbraw/zinc/50/35/23/823503523.db2.gz DAKHALBTEIYQOG-QGZVFWFLSA-N 0 0 378.375 4.399 20 5 GIBDRN Cc1cc(Br)c(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)s1 ZINC000410624301 823506958 /nfs/dbraw/zinc/50/69/58/823506958.db2.gz RWHIKEYOBWOXQH-UHFFFAOYSA-N 0 0 381.251 4.320 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000031491173 820817681 /nfs/dbraw/zinc/81/76/81/820817681.db2.gz VCPRZWXGVXRTMU-UHFFFAOYSA-N 0 0 382.338 4.007 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410666157 823508385 /nfs/dbraw/zinc/50/83/85/823508385.db2.gz YFFJBMITUYBDOA-SUMWQHHRSA-N 0 0 394.349 4.121 20 5 GIBDRN Cc1cccc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000031648164 820838700 /nfs/dbraw/zinc/83/87/00/820838700.db2.gz VGKOPYRBKIYTKH-UHFFFAOYSA-N 0 0 384.417 4.074 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000410705212 823510134 /nfs/dbraw/zinc/51/01/34/823510134.db2.gz USDOCVVPDANJCG-BZNIZROVSA-N 0 0 379.338 4.232 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000031873936 820868551 /nfs/dbraw/zinc/86/85/51/820868551.db2.gz PUCQRMOEZQYPNB-UHFFFAOYSA-N 0 0 384.816 4.268 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)COC(c1ccccc1)c1ccccc1 ZINC000031930495 820876793 /nfs/dbraw/zinc/87/67/93/820876793.db2.gz 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CCOc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000036784283 821082893 /nfs/dbraw/zinc/08/28/93/821082893.db2.gz MZUNNFAYWCDNPX-LLVKDONJSA-N 0 0 378.812 4.147 20 5 GIBDRN CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000410959475 823524882 /nfs/dbraw/zinc/52/48/82/823524882.db2.gz SPQMNCQXUWBRMV-HNNXBMFYSA-N 0 0 379.338 4.232 20 5 GIBDRN CN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037991861 821094168 /nfs/dbraw/zinc/09/41/68/821094168.db2.gz VOBKGPAEOATTKP-UHFFFAOYSA-N 0 0 389.658 4.344 20 5 GIBDRN CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123670937 823530528 /nfs/dbraw/zinc/53/05/28/823530528.db2.gz ZWCDUINSOCDIBI-UHFFFAOYSA-N 0 0 381.417 4.307 20 5 GIBDRN CCn1c(S/C=C/c2ccc([N+](=O)[O-])o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123679296 823531022 /nfs/dbraw/zinc/53/10/22/823531022.db2.gz AOMYDHVOLNRHRF-MDZDMXLPSA-N 0 0 387.377 4.137 20 5 GIBDRN COc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000040112427 821140467 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KHICHPROCRXMBA-GFCCVEGCSA-N 0 0 385.445 4.348 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000177844166 823535177 /nfs/dbraw/zinc/53/51/77/823535177.db2.gz XAOZVPQYBHFXBF-UONOGXRCSA-N 0 0 398.488 4.451 20 5 GIBDRN Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000177850747 823536171 /nfs/dbraw/zinc/53/61/71/823536171.db2.gz RKGRNOHJJRDVMX-HNNXBMFYSA-N 0 0 398.488 4.187 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1COc1ccccc1 ZINC000060514540 823537040 /nfs/dbraw/zinc/53/70/40/823537040.db2.gz JNMFKXIMRLGANF-UHFFFAOYSA-N 0 0 378.384 4.435 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041748676 821222398 /nfs/dbraw/zinc/22/23/98/821222398.db2.gz VLFIOAVPDAPDGS-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000177862105 823537945 /nfs/dbraw/zinc/53/79/45/823537945.db2.gz WRVBWQXFMXEDKK-QGZVFWFLSA-N 0 0 392.459 4.256 20 5 GIBDRN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177863989 823538164 /nfs/dbraw/zinc/53/81/64/823538164.db2.gz CVJKAKKNEFYQSK-AWEZNQCLSA-N 0 0 379.416 4.287 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OC ZINC000041907461 821245489 /nfs/dbraw/zinc/24/54/89/821245489.db2.gz KKPXWYWFCJKVMK-DZKIICNBSA-N 0 0 376.453 4.043 20 5 GIBDRN CC(C)NC(=O)c1ccc(NCc2csc(Br)c2)c([N+](=O)[O-])c1 ZINC000042110695 821267353 /nfs/dbraw/zinc/26/73/53/821267353.db2.gz SFPBPDFPWHWSEW-UHFFFAOYSA-N 0 0 398.282 4.169 20 5 GIBDRN COc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000042128699 821270793 /nfs/dbraw/zinc/27/07/93/821270793.db2.gz YCZYADHBZIUFIF-UHFFFAOYSA-N 0 0 388.474 4.359 20 5 GIBDRN COc1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000042152034 821275496 /nfs/dbraw/zinc/27/54/96/821275496.db2.gz INBDHUFFLYTSCE-UHFFFAOYSA-N 0 0 376.825 4.334 20 5 GIBDRN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000042153170 821275845 /nfs/dbraw/zinc/27/58/45/821275845.db2.gz NBRNDEGVPNHQQJ-UHFFFAOYSA-N 0 0 377.809 4.469 20 5 GIBDRN O=C(COc1ccc(F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918382 821344887 /nfs/dbraw/zinc/34/48/87/821344887.db2.gz VXSBCMMIXAWNBZ-UHFFFAOYSA-N 0 0 390.701 4.006 20 5 GIBDRN COc1ccccc1OCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000042391630 821306825 /nfs/dbraw/zinc/30/68/25/821306825.db2.gz XDOPKCMEYVVBSL-UHFFFAOYSA-N 0 0 382.372 4.336 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000042661178 821321574 /nfs/dbraw/zinc/32/15/74/821321574.db2.gz NKBIBIJMPRWCJF-UHFFFAOYSA-N 0 0 395.459 4.381 20 5 GIBDRN O=C(COc1ccc(F)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918117 821344446 /nfs/dbraw/zinc/34/44/46/821344446.db2.gz GGXQVMXIJACNQI-UHFFFAOYSA-N 0 0 390.701 4.006 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000043149643 821368706 /nfs/dbraw/zinc/36/87/06/821368706.db2.gz WWWNFRSKZNOQCX-GOSISDBHSA-N 0 0 385.420 4.289 20 5 GIBDRN COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000043341908 821395390 /nfs/dbraw/zinc/39/53/90/821395390.db2.gz HKMPHVALCFWRLO-JTQLQIEISA-N 0 0 379.800 4.148 20 5 GIBDRN O=C(NCCc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341906 821395537 /nfs/dbraw/zinc/39/55/37/821395537.db2.gz RKYMMSSAHSNTDF-UHFFFAOYSA-N 0 0 376.825 4.222 20 5 GIBDRN Cc1c(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000043346533 821395970 /nfs/dbraw/zinc/39/59/70/821395970.db2.gz XRMKHXPGYRRBPT-AWEZNQCLSA-N 0 0 375.450 4.178 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180698357 821401299 /nfs/dbraw/zinc/40/12/99/821401299.db2.gz BEPDXDCNLRIHKX-LLVKDONJSA-N 0 0 382.445 4.100 20 5 GIBDRN O=C(Nc1ccccc1SC(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000043545647 821424145 /nfs/dbraw/zinc/42/41/45/821424145.db2.gz DBOAEYTZASQKRO-UHFFFAOYSA-N 0 0 390.371 4.348 20 5 GIBDRN CCOc1cc(NC(=O)N(C)Cc2ccsc2)c([N+](=O)[O-])cc1OCC ZINC000043838512 821468790 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821631946 /nfs/dbraw/zinc/63/19/46/821631946.db2.gz XURVLLSTQQRFOD-UHFFFAOYSA-N 0 0 375.384 4.408 20 5 GIBDRN CCc1nc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])sc1C ZINC000044702044 821647445 /nfs/dbraw/zinc/64/74/45/821647445.db2.gz ALIVRRWBVYGURH-UHFFFAOYSA-N 0 0 389.355 4.116 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000181159023 821670933 /nfs/dbraw/zinc/67/09/33/821670933.db2.gz VBAHIAGPAWTYDN-INIZCTEOSA-N 0 0 385.489 4.422 20 5 GIBDRN CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181180993 821681618 /nfs/dbraw/zinc/68/16/18/821681618.db2.gz SEBOFLKMPYXUFA-UHFFFAOYSA-N 0 0 375.356 4.273 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)c(F)c1F ZINC000181361049 821787338 /nfs/dbraw/zinc/78/73/38/821787338.db2.gz UXIQLKBDMALJTF-UHFFFAOYSA-N 0 0 376.743 4.396 20 5 GIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000181368431 821791722 /nfs/dbraw/zinc/79/17/22/821791722.db2.gz WEBNCWSLJWBVJE-FNHZYXHNSA-N 0 0 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ZINC000181500512 821856103 /nfs/dbraw/zinc/85/61/03/821856103.db2.gz ZLGMAZHFFXVCPU-LBPRGKRZSA-N 0 0 384.479 4.022 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000181505402 821857583 /nfs/dbraw/zinc/85/75/83/821857583.db2.gz XTTSEZSFFUCVNC-JTQLQIEISA-N 0 0 399.373 4.162 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000181602237 821898297 /nfs/dbraw/zinc/89/82/97/821898297.db2.gz LYFRVHIHIZBZPJ-MRXNPFEDSA-N 0 0 388.292 4.225 20 5 GIBDRN CCN(CC)C(=O)CCC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000181803463 821999448 /nfs/dbraw/zinc/99/94/48/821999448.db2.gz JSBZQJADSPFTAF-UHFFFAOYSA-N 0 0 384.480 4.008 20 5 GIBDRN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(N2CCCC2)c1 ZINC000181878994 822024384 /nfs/dbraw/zinc/02/43/84/822024384.db2.gz LFAVNKOGGNLNMV-OAHLLOKOSA-N 0 0 393.447 4.096 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1csc([C@H]2CCCO2)n1 ZINC000181947880 822042890 /nfs/dbraw/zinc/04/28/90/822042890.db2.gz PQKJPBBZWOZSDM-GFCCVEGCSA-N 0 0 387.339 4.174 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(-c2ccncc2)s1 ZINC000181953424 822043957 /nfs/dbraw/zinc/04/39/57/822043957.db2.gz KHJLBECWWPSBGR-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC000182338127 822207675 /nfs/dbraw/zinc/20/76/75/822207675.db2.gz VAXHPVNVKKALLB-XOBRGWDASA-N 0 0 379.391 4.138 20 5 GIBDRN Cc1cc(NC(=O)COc2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] ZINC000182433976 822241332 /nfs/dbraw/zinc/24/13/32/822241332.db2.gz MAJPVIOSTBSQRA-UHFFFAOYSA-N 0 0 379.372 4.108 20 5 GIBDRN O=C(Nc1ccccc1O[C@H]1CCOC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177959337 822257423 /nfs/dbraw/zinc/25/74/23/822257423.db2.gz AGJJMZDYONYPTC-AWEZNQCLSA-N 0 0 384.413 4.230 20 5 GIBDRN O=[N+]([O-])c1ccc(F)cc1CNc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000178010290 822280790 /nfs/dbraw/zinc/28/07/90/822280790.db2.gz QTLVKTQRWFCNSI-UHFFFAOYSA-N 0 0 393.846 4.208 20 5 GIBDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182540221 822291448 /nfs/dbraw/zinc/29/14/48/822291448.db2.gz DINOVRHVUDGTMU-SECBINFHSA-N 0 0 386.301 4.308 20 5 GIBDRN C[C@@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182541641 822292786 /nfs/dbraw/zinc/29/27/86/822292786.db2.gz CHVPLFNLJNAOLC-DYVFJYSZSA-N 0 0 388.395 4.034 20 5 GIBDRN CC(=O)Nc1cccc([C@@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000182547928 822296263 /nfs/dbraw/zinc/29/62/63/822296263.db2.gz GDDICTUNYDYUHI-CYBMUJFWSA-N 0 0 380.404 4.059 20 5 GIBDRN COc1cc(COc2ccc(F)cc2C(C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000182606041 822319811 /nfs/dbraw/zinc/31/98/11/822319811.db2.gz XBZDYOQLXHHJIP-UHFFFAOYSA-N 0 0 399.321 4.168 20 5 GIBDRN CCc1nc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000182671553 822346330 /nfs/dbraw/zinc/34/63/30/822346330.db2.gz MTUXNPYXENSWKZ-VIFPVBQESA-N 0 0 385.898 4.237 20 5 GIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1ccc(F)cc1F ZINC000453415336 822359784 /nfs/dbraw/zinc/35/97/84/822359784.db2.gz DLKLAEXGTCJSCI-KRWDZBQOSA-N 0 0 385.374 4.010 20 5 GIBDRN C[C@@H](C(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000182743947 822361176 /nfs/dbraw/zinc/36/11/76/822361176.db2.gz WICJCSMTPGKOJI-SECBINFHSA-N 0 0 388.292 4.312 20 5 GIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ncc(-c2ccccc2)o1 ZINC000182811721 822371410 /nfs/dbraw/zinc/37/14/10/822371410.db2.gz CMYZKZKBHINQCA-STQMWFEESA-N 0 0 383.379 4.370 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178366962 822371765 /nfs/dbraw/zinc/37/17/65/822371765.db2.gz RZKMBCOHTXJJQG-NHCUHLMSSA-N 0 0 395.459 4.189 20 5 GIBDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000045242720 822372761 /nfs/dbraw/zinc/37/27/61/822372761.db2.gz FTYDXXIWTDJWED-CYBMUJFWSA-N 0 0 384.823 4.267 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(CC(F)(F)F)c1ccccc1 ZINC000182880027 822385078 /nfs/dbraw/zinc/38/50/78/822385078.db2.gz IQBIHKMAQGKSBJ-UHFFFAOYSA-N 0 0 390.264 4.405 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000178559475 822392017 /nfs/dbraw/zinc/39/20/17/822392017.db2.gz RUUXLKCXUCKYKG-JTQLQIEISA-N 0 0 385.367 4.090 20 5 GIBDRN CN1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000178570639 822392718 /nfs/dbraw/zinc/39/27/18/822392718.db2.gz OXZKGNWZEWKRKK-UHFFFAOYSA-N 0 0 379.338 4.100 20 5 GIBDRN Cn1ccnc1CC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000178622067 822396934 /nfs/dbraw/zinc/39/69/34/822396934.db2.gz LXWXVIZZWSEMDZ-UHFFFAOYSA-N 0 0 384.483 4.216 20 5 GIBDRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178638627 822398432 /nfs/dbraw/zinc/39/84/32/822398432.db2.gz PBUSGROJIOWMEG-UHFFFAOYSA-N 0 0 384.701 4.396 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178673712 822401870 /nfs/dbraw/zinc/40/18/70/822401870.db2.gz MZZQNNKKGBAYFP-MRVPVSSYSA-N 0 0 391.396 4.151 20 5 GIBDRN 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4.235 20 5 GIBDRN CC(C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1Br ZINC000179003753 822428813 /nfs/dbraw/zinc/42/88/13/822428813.db2.gz SRJIWTBGBHKBJR-UHFFFAOYSA-N 0 0 381.201 4.162 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1cc2ccccc2[nH]1 ZINC000183168943 822434765 /nfs/dbraw/zinc/43/47/65/822434765.db2.gz ATRJGLPNPINEID-UHFFFAOYSA-N 0 0 389.864 4.181 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000454205191 822438623 /nfs/dbraw/zinc/43/86/23/822438623.db2.gz TVXNILCWWJRGRH-UHFFFAOYSA-N 0 0 375.812 4.155 20 5 GIBDRN Cc1c(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000454208076 822439053 /nfs/dbraw/zinc/43/90/53/822439053.db2.gz WULVMTVNAHGIII-OAHLLOKOSA-N 0 0 375.812 4.242 20 5 GIBDRN COc1ccc(OC)c(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454229356 822441371 /nfs/dbraw/zinc/44/13/71/822441371.db2.gz VDHWWOJXEYYJGJ-HNNXBMFYSA-N 0 0 385.420 4.024 20 5 GIBDRN C[C@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000183243164 822447528 /nfs/dbraw/zinc/44/75/28/822447528.db2.gz SMDBEQUVHPHSSC-BBATYDOGSA-N 0 0 398.394 4.204 20 5 GIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCc2cc(Cl)ccc21 ZINC000046222424 822451673 /nfs/dbraw/zinc/45/16/73/822451673.db2.gz UWJSLUCZJYOGEB-UHFFFAOYSA-N 0 0 382.807 4.027 20 5 GIBDRN C[C@@H](C(=O)Nc1nc(-c2ccc(O)cc2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000183286536 822453486 /nfs/dbraw/zinc/45/34/86/822453486.db2.gz OHSZXVCHGMMPPE-SNVBAGLBSA-N 0 0 387.392 4.305 20 5 GIBDRN COCCOc1c(Cl)cccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183292026 822454192 /nfs/dbraw/zinc/45/41/92/822454192.db2.gz ZROGTJJVNRFVKI-LLVKDONJSA-N 0 0 396.802 4.155 20 5 GIBDRN C[C@H](NC(=O)NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000454311131 822456068 /nfs/dbraw/zinc/45/60/68/822456068.db2.gz WYYLBHYZYBQUPR-LBPRGKRZSA-N 0 0 397.353 4.096 20 5 GIBDRN CCOc1cc(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000454347718 822460441 /nfs/dbraw/zinc/46/04/41/822460441.db2.gz 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O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046480170 822477175 /nfs/dbraw/zinc/47/71/75/822477175.db2.gz KHGSJXHICLSMEC-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000046507637 822479302 /nfs/dbraw/zinc/47/93/02/822479302.db2.gz RPVSDUDUXLTZRS-HNNXBMFYSA-N 0 0 376.796 4.058 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000046510140 822479835 /nfs/dbraw/zinc/47/98/35/822479835.db2.gz SFZORBBRGILJBR-OAHLLOKOSA-N 0 0 388.445 4.127 20 5 GIBDRN CN(Cc1ccccc1F)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000179420950 822479946 /nfs/dbraw/zinc/47/99/46/822479946.db2.gz MBQKRDVJRXOHOW-UHFFFAOYSA-N 0 0 382.189 4.160 20 5 GIBDRN C[C@H](O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183476910 822481621 /nfs/dbraw/zinc/48/16/21/822481621.db2.gz PSNZYFGIRAGRLF-GOEBONIOSA-N 0 0 392.521 4.253 20 5 GIBDRN C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183479628 822482302 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XPNRFVNUROKYSS-UHFFFAOYSA-N 0 0 387.508 4.408 20 5 GIBDRN COC[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000454765888 822529998 /nfs/dbraw/zinc/52/99/98/822529998.db2.gz QKCMLRRJBYNBEO-DZGCQCFKSA-N 0 0 391.855 4.039 20 5 GIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000183820896 822531851 /nfs/dbraw/zinc/53/18/51/822531851.db2.gz RFJHHCPRIJAHMB-QWRGUYRKSA-N 0 0 379.457 4.469 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000183823650 822532672 /nfs/dbraw/zinc/53/26/72/822532672.db2.gz LOCWOPZBZHIRHQ-SNVBAGLBSA-N 0 0 390.317 4.334 20 5 GIBDRN Cc1csc([C@H](C)CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000454788450 822534410 /nfs/dbraw/zinc/53/44/10/822534410.db2.gz UHZPSXDJMANBGO-CJNGLKHVSA-N 0 0 388.493 4.052 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000454791298 822534725 /nfs/dbraw/zinc/53/47/25/822534725.db2.gz HGXCJVDTUFDMBZ-WFASDCNBSA-N 0 0 395.868 4.029 20 5 GIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@]2(CCOC2)C1 ZINC000454812444 822539152 /nfs/dbraw/zinc/53/91/52/822539152.db2.gz MZVSMXNXFWWOGZ-NRFANRHFSA-N 0 0 397.431 4.422 20 5 GIBDRN COC[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000454814192 822539516 /nfs/dbraw/zinc/53/95/16/822539516.db2.gz PAGPMOTUJQUYJI-QGZVFWFLSA-N 0 0 385.420 4.420 20 5 GIBDRN Cc1cc(NC(=O)c2scnc2C2CCCC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183911668 822544603 /nfs/dbraw/zinc/54/46/03/822544603.db2.gz QGPWANFBGZWPMT-UHFFFAOYSA-N 0 0 397.460 4.455 20 5 GIBDRN CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1[N+](=O)[O-] ZINC000183920494 822546655 /nfs/dbraw/zinc/54/66/55/822546655.db2.gz YHQJYBNGVSTESC-UHFFFAOYSA-N 0 0 384.461 4.217 20 5 GIBDRN Cc1c(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000454855098 822546721 /nfs/dbraw/zinc/54/67/21/822546721.db2.gz MZCULNIKIICCKU-SFHVURJKSA-N 0 0 375.375 4.228 20 5 GIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000047169475 822550124 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20 5 GIBDRN COc1cccc(-c2nsc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000184104968 822578767 /nfs/dbraw/zinc/57/87/67/822578767.db2.gz ONBBXWCKXLLHAF-NSHDSACASA-N 0 0 399.432 4.005 20 5 GIBDRN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000184115396 822580567 /nfs/dbraw/zinc/58/05/67/822580567.db2.gz ZOACGTXDVQLLJK-JTQLQIEISA-N 0 0 389.260 4.082 20 5 GIBDRN CCOc1cccc(N2CCC(OCc3ccccc3OC)CC2)c1[N+](=O)[O-] ZINC000184143977 822585095 /nfs/dbraw/zinc/58/50/95/822585095.db2.gz LVXBEFQIGAKBED-UHFFFAOYSA-N 0 0 386.448 4.188 20 5 GIBDRN C[C@@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047506859 822585340 /nfs/dbraw/zinc/58/53/40/822585340.db2.gz KDGIMVSDEIWLCZ-KUHUBIRLSA-N 0 0 385.420 4.035 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccco1)c1ccccc1 ZINC000184154043 822586809 /nfs/dbraw/zinc/58/68/09/822586809.db2.gz ITWZOQUQMAQCFR-GOSISDBHSA-N 0 0 385.807 4.430 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000455096702 822588540 /nfs/dbraw/zinc/58/85/40/822588540.db2.gz BSKCUMSJROFDOC-SGTLLEGYSA-N 0 0 375.375 4.481 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000455098974 822588690 /nfs/dbraw/zinc/58/86/90/822588690.db2.gz VEOYUADESHSTFG-KSSFIOAISA-N 0 0 399.447 4.220 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000047550111 822589827 /nfs/dbraw/zinc/58/98/27/822589827.db2.gz UHWPFPJDGDONQX-SECBINFHSA-N 0 0 382.189 4.379 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000047584611 822593859 /nfs/dbraw/zinc/59/38/59/822593859.db2.gz RTLMLUQZYTUMKB-OAHLLOKOSA-N 0 0 386.448 4.058 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000455135385 822594631 /nfs/dbraw/zinc/59/46/31/822594631.db2.gz GBIIMKICZKLSOW-SJKOYZFVSA-N 0 0 375.450 4.097 20 5 GIBDRN COc1cc(CSCc2ncc(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000180013859 822596606 /nfs/dbraw/zinc/59/66/06/822596606.db2.gz 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COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184355228 822621100 /nfs/dbraw/zinc/62/11/00/822621100.db2.gz BACSCWOBSIAZPY-DZGCQCFKSA-N 0 0 386.423 4.082 20 5 GIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184357961 822621533 /nfs/dbraw/zinc/62/15/33/822621533.db2.gz LZPORBPXPSINBP-UHFFFAOYSA-N 0 0 389.824 4.088 20 5 GIBDRN COc1ccc(Cl)cc1CS(=O)(=O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000180132607 822622602 /nfs/dbraw/zinc/62/26/02/822622602.db2.gz OGRCAFRMQOHMMH-GFCCVEGCSA-N 0 0 383.853 4.241 20 5 GIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000455270403 822622726 /nfs/dbraw/zinc/62/27/26/822622726.db2.gz LBYZWVXQPWFKBF-INIZCTEOSA-N 0 0 397.431 4.101 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3cccc(Br)c3)[n+]2[O-])c1 ZINC000047971327 822623263 /nfs/dbraw/zinc/62/32/63/822623263.db2.gz VEZVEWLGYIHROI-BQYQJAHWSA-N 0 0 398.216 4.223 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1csc(-c2ccco2)n1 ZINC000180134936 822623367 /nfs/dbraw/zinc/62/33/67/822623367.db2.gz QJUWIHILQFGDHG-LBPRGKRZSA-N 0 0 392.458 4.296 20 5 GIBDRN O=C(Nc1cncc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1Br ZINC000180137873 822624082 /nfs/dbraw/zinc/62/40/82/822624082.db2.gz BONXEHSSJSUUOS-UHFFFAOYSA-N 0 0 391.008 4.311 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2Cl)n1C ZINC000184435026 822634619 /nfs/dbraw/zinc/63/46/19/822634619.db2.gz FHBPTJIYFHSFMK-UHFFFAOYSA-N 0 0 390.852 4.499 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000455361797 822640458 /nfs/dbraw/zinc/64/04/58/822640458.db2.gz QSNFSXAOKVOWII-MNOVXSKESA-N 0 0 375.347 4.188 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000180227453 822643651 /nfs/dbraw/zinc/64/36/51/822643651.db2.gz ZYBXYLLEXMOTPQ-UHFFFAOYSA-N 0 0 398.843 4.402 20 5 GIBDRN CC1(CC(F)(F)F)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455408970 822648132 /nfs/dbraw/zinc/64/81/32/822648132.db2.gz ZRFQMIPRCGSKPT-UHFFFAOYSA-N 0 0 396.163 4.164 20 5 GIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C3)cs1 ZINC000180265402 822650935 /nfs/dbraw/zinc/65/09/35/822650935.db2.gz TXGAGLSALCLFDN-UHFFFAOYSA-N 0 0 385.470 4.287 20 5 GIBDRN CCOc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000184530390 822651841 /nfs/dbraw/zinc/65/18/41/822651841.db2.gz IVHYGLOCMKCYCF-RDTXWAMCSA-N 0 0 399.447 4.186 20 5 GIBDRN COc1cc(F)ccc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180293829 822657670 /nfs/dbraw/zinc/65/76/70/822657670.db2.gz QCGBDHXXEBJGHJ-UHFFFAOYSA-N 0 0 386.326 4.007 20 5 GIBDRN COc1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1F ZINC000180297334 822658821 /nfs/dbraw/zinc/65/88/21/822658821.db2.gz WRXHKSRLFIIRKC-UHFFFAOYSA-N 0 0 387.392 4.143 20 5 GIBDRN CN(C(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180299336 822659265 /nfs/dbraw/zinc/65/92/65/822659265.db2.gz CGDUHYCQNZPFJP-UHFFFAOYSA-N 0 0 397.460 4.307 20 5 GIBDRN CS[C@H](C)C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180301194 822659761 /nfs/dbraw/zinc/65/97/61/822659761.db2.gz QFYDKGFGHNUTPV-GFCCVEGCSA-N 0 0 379.507 4.459 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ncccc1C(F)(F)F ZINC000180307576 822661001 /nfs/dbraw/zinc/66/10/01/822661001.db2.gz RREUYNFXVDTJQF-UHFFFAOYSA-N 0 0 390.115 4.023 20 5 GIBDRN Cc1c2ccc(NC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2nn1C ZINC000455473192 822661320 /nfs/dbraw/zinc/66/13/20/822661320.db2.gz FJGZHIUHHSZBDO-MRXNPFEDSA-N 0 0 393.447 4.201 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(C(F)F)cc1 ZINC000184617101 822666318 /nfs/dbraw/zinc/66/63/18/822666318.db2.gz UYALXGHUTPBEHI-UHFFFAOYSA-N 0 0 399.191 4.154 20 5 GIBDRN Cc1cc(C)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1 ZINC000455518708 822669760 /nfs/dbraw/zinc/66/97/60/822669760.db2.gz LXBNVGCLHJQDDD-UHFFFAOYSA-N 0 0 382.342 4.256 20 5 GIBDRN COc1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1C ZINC000455572735 822676707 /nfs/dbraw/zinc/67/67/07/822676707.db2.gz KFBSEIFFIGMKCJ-MRXNPFEDSA-N 0 0 399.447 4.332 20 5 GIBDRN C[C@H](NCC(=O)Nc1nc(-c2cccs2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000180410718 822677073 /nfs/dbraw/zinc/67/70/73/822677073.db2.gz KHLDYWRIDOPYFK-NSHDSACASA-N 0 0 388.474 4.069 20 5 GIBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180414734 822677643 /nfs/dbraw/zinc/67/76/43/822677643.db2.gz YSZDFRSXGKVEOW-OAHLLOKOSA-N 0 0 388.489 4.162 20 5 GIBDRN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1OC ZINC000180416086 822678124 /nfs/dbraw/zinc/67/81/24/822678124.db2.gz KKOCDMGMOPSFKS-LLVKDONJSA-N 0 0 395.253 4.225 20 5 GIBDRN COc1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000048720700 822679607 /nfs/dbraw/zinc/67/96/07/822679607.db2.gz GPCUIRHJZZWFGY-UHFFFAOYSA-N 0 0 390.244 4.025 20 5 GIBDRN CCSc1cccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c1 ZINC000184753285 822686240 /nfs/dbraw/zinc/68/62/40/822686240.db2.gz SOPLVGDOTCODJP-UVTDQMKNSA-N 0 0 379.441 4.361 20 5 GIBDRN COCCOc1c(Cl)cccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180473071 822687981 /nfs/dbraw/zinc/68/79/81/822687981.db2.gz XGMZEJITTGWDCX-UHFFFAOYSA-N 0 0 392.839 4.451 20 5 GIBDRN Cc1ccnc(Oc2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000184784553 822690482 /nfs/dbraw/zinc/69/04/82/822690482.db2.gz SKNMLXVSVMNBRH-ZDUSSCGKSA-N 0 0 396.378 4.367 20 5 GIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000180495897 822691048 /nfs/dbraw/zinc/69/10/48/822691048.db2.gz SIKDFSDIUPRKOA-UHFFFAOYSA-N 0 0 392.459 4.293 20 5 GIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180508061 822693284 /nfs/dbraw/zinc/69/32/84/822693284.db2.gz MDZDWPRTOJMQLU-ZFWWWQNUSA-N 0 0 398.431 4.346 20 5 GIBDRN CC[C@@H](CSC)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000180551326 822700642 /nfs/dbraw/zinc/70/06/42/822700642.db2.gz MKLGTJRQXCKEQX-HIFRSBDPSA-N 0 0 388.493 4.034 20 5 GIBDRN C[C@H](c1ccccc1Cl)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049655489 822704634 /nfs/dbraw/zinc/70/46/34/822704634.db2.gz TZWVKOPMXOFRLR-CYBMUJFWSA-N 0 0 384.823 4.267 20 5 GIBDRN CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000049656423 822704824 /nfs/dbraw/zinc/70/48/24/822704824.db2.gz NJUHOEOTYWEPIX-HNNXBMFYSA-N 0 0 394.431 4.012 20 5 GIBDRN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000180592984 822707481 /nfs/dbraw/zinc/70/74/81/822707481.db2.gz ZRQGCVOAOFQRJL-UHFFFAOYSA-N 0 0 384.722 4.305 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2nc(CC(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000455716497 822711658 /nfs/dbraw/zinc/71/16/58/822711658.db2.gz GWEPBGARYDJKDD-VIFPVBQESA-N 0 0 388.371 4.347 20 5 GIBDRN CC(C)(C)c1ncsc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000180622966 822714549 /nfs/dbraw/zinc/71/45/49/822714549.db2.gz XOZHLXMUSWTFSS-UHFFFAOYSA-N 0 0 384.255 4.364 20 5 GIBDRN Cc1c(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000184942158 822716361 /nfs/dbraw/zinc/71/63/61/822716361.db2.gz NSZZJCGOOYGPRQ-KRWDZBQOSA-N 0 0 375.812 4.162 20 5 GIBDRN C[C@@H](C(=O)N1CC[C@H](c2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184942375 822716403 /nfs/dbraw/zinc/71/64/03/822716403.db2.gz NATYGKSWYZIAGL-NEPJUHHUSA-N 0 0 378.350 4.132 20 5 GIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1CCOCC1 ZINC000184955811 822717980 /nfs/dbraw/zinc/71/79/80/822717980.db2.gz KKDRGLQMBQZVEZ-CQSZACIVSA-N 0 0 392.521 4.422 20 5 GIBDRN CCCn1ncc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1C1CC1 ZINC000455755127 822720290 /nfs/dbraw/zinc/72/02/90/822720290.db2.gz LZMXCDRXMIFOPG-KRWDZBQOSA-N 0 0 397.479 4.490 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184976697 822720668 /nfs/dbraw/zinc/72/06/68/822720668.db2.gz MBLHTZOXEJXYLF-OAHLLOKOSA-N 0 0 397.456 4.119 20 5 GIBDRN Cc1cccc(OCCN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050294984 822724228 /nfs/dbraw/zinc/72/42/28/822724228.db2.gz HLWUBHVEQTYISY-UHFFFAOYSA-N 0 0 397.456 4.178 20 5 GIBDRN O=C(Nc1ccc(-n2ccnc2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050310195 822724562 /nfs/dbraw/zinc/72/45/62/822724562.db2.gz ZVJNVFOVKVAOOW-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050312053 822724968 /nfs/dbraw/zinc/72/49/68/822724968.db2.gz WOBZDGMEQCDPGO-UHFFFAOYSA-N 0 0 397.456 4.389 20 5 GIBDRN O=C(Nc1cccc(-n2cccn2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050314845 822725209 /nfs/dbraw/zinc/72/52/09/822725209.db2.gz XYWOPMOKPQXOPE-UHFFFAOYSA-N 0 0 391.412 4.156 20 5 GIBDRN Cc1cc(N(C)C)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050315651 822725437 /nfs/dbraw/zinc/72/54/37/822725437.db2.gz JACFOXDWVVGHPV-UHFFFAOYSA-N 0 0 382.445 4.345 20 5 GIBDRN CC(F)(F)c1ccccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000455783120 822725937 /nfs/dbraw/zinc/72/59/37/822725937.db2.gz FZYMFVFOEXTBKJ-UHFFFAOYSA-N 0 0 377.347 4.133 20 5 GIBDRN CCn1ncc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc21 ZINC000050355915 822727336 /nfs/dbraw/zinc/72/73/36/822727336.db2.gz OSMCZERMMMVXJN-UHFFFAOYSA-N 0 0 393.428 4.340 20 5 GIBDRN CC[C@@H](NC(=O)Nc1ncc(C2CCOCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000455794961 822727893 /nfs/dbraw/zinc/72/78/93/822727893.db2.gz TYVLBMHGOJBKNL-OAHLLOKOSA-N 0 0 390.465 4.218 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000185044539 822728692 /nfs/dbraw/zinc/72/86/92/822728692.db2.gz SOGWFYPWLHWFDY-PGRDOPGGSA-N 0 0 389.455 4.464 20 5 GIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185047516 822728972 /nfs/dbraw/zinc/72/89/72/822728972.db2.gz VARBCJIHZUEANV-KPZWWZAWSA-N 0 0 392.814 4.091 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000185050139 822729396 /nfs/dbraw/zinc/72/93/96/822729396.db2.gz HOOQKZLGCVUQLQ-HOCLYGCPSA-N 0 0 386.448 4.058 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)ccc1CNc1ccccc1I ZINC000050443333 822729635 /nfs/dbraw/zinc/72/96/35/822729635.db2.gz CWAJBHCNZYDWLV-UHFFFAOYSA-N 0 0 388.592 4.465 20 5 GIBDRN Cn1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000185059262 822730702 /nfs/dbraw/zinc/73/07/02/822730702.db2.gz MUYPSWMSXIGGHN-UHFFFAOYSA-N 0 0 388.836 4.385 20 5 GIBDRN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000185063370 822731352 /nfs/dbraw/zinc/73/13/52/822731352.db2.gz ADVYRVWJBDMDER-JTQLQIEISA-N 0 0 376.775 4.288 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000185068402 822732290 /nfs/dbraw/zinc/73/22/90/822732290.db2.gz CDWJIEFITSBUIN-LBPRGKRZSA-N 0 0 376.796 4.184 20 5 GIBDRN O=C(NCc1cc2ccccc2[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050629709 822735142 /nfs/dbraw/zinc/73/51/42/822735142.db2.gz HAPIVHLMTDDCMY-UHFFFAOYSA-N 0 0 378.413 4.130 20 5 GIBDRN CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000050738093 822737216 /nfs/dbraw/zinc/73/72/16/822737216.db2.gz JQYJPWLDQXHGHU-SFHVURJKSA-N 0 0 389.499 4.157 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000185108204 822738032 /nfs/dbraw/zinc/73/80/32/822738032.db2.gz OIMPSWHKSHPJDV-KRWDZBQOSA-N 0 0 395.459 4.038 20 5 GIBDRN O=C(NCc1nccs1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000185112951 822738823 /nfs/dbraw/zinc/73/88/23/822738823.db2.gz REDIUVYMOCTVGV-UHFFFAOYSA-N 0 0 377.491 4.264 20 5 GIBDRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000050862431 822740206 /nfs/dbraw/zinc/74/02/06/822740206.db2.gz GFPAATFMJFXQAQ-DYESRHJHSA-N 0 0 393.443 4.316 20 5 GIBDRN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2s1 ZINC000185153207 822743516 /nfs/dbraw/zinc/74/35/16/822743516.db2.gz BIPKOZDJUMVBKA-UHFFFAOYSA-N 0 0 391.449 4.489 20 5 GIBDRN COc1cccc(NCCCc2nnc(SC)n2C2CCCC2)c1[N+](=O)[O-] ZINC000185160172 822744351 /nfs/dbraw/zinc/74/43/51/822744351.db2.gz ORTICEPLNYMJGD-UHFFFAOYSA-N 0 0 391.497 4.077 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)c1ccccn1 ZINC000185221258 822750901 /nfs/dbraw/zinc/75/09/01/822750901.db2.gz MJLQZMUEJUBZBJ-KRWDZBQOSA-N 0 0 379.416 4.385 20 5 GIBDRN COC(=O)[C@](C)(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000185280889 822758820 /nfs/dbraw/zinc/75/88/20/822758820.db2.gz CJJSSDMBMBUCII-QGZVFWFLSA-N 0 0 383.231 4.080 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(OC(F)F)c1 ZINC000185286722 822759858 /nfs/dbraw/zinc/75/98/58/822759858.db2.gz FVRVBEGADRNVDS-OAHLLOKOSA-N 0 0 378.375 4.081 20 5 GIBDRN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185304626 822762635 /nfs/dbraw/zinc/76/26/35/822762635.db2.gz CLSGLRVQYQJUOG-HOTGVXAUSA-N 0 0 390.361 4.307 20 5 GIBDRN CNc1nc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)ccc1[N+](=O)[O-] ZINC000456000821 822764535 /nfs/dbraw/zinc/76/45/35/822764535.db2.gz FPIPEDBFPUICDV-MYSGNRETSA-N 0 0 386.477 4.191 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582250 822766196 /nfs/dbraw/zinc/76/61/96/822766196.db2.gz OPOLKZXRGMOGDG-OXJNMPFZSA-N 0 0 399.447 4.235 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000185326154 822766475 /nfs/dbraw/zinc/76/64/75/822766475.db2.gz WAZUDMDXZBOLJJ-XMSQKQJNSA-N 0 0 389.455 4.464 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000456071311 822774327 /nfs/dbraw/zinc/77/43/27/822774327.db2.gz FGSANAWPXSPHTK-KXBFYZLASA-N 0 0 390.867 4.009 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185394784 822778224 /nfs/dbraw/zinc/77/82/24/822778224.db2.gz MLNWBTBZBIVSCN-HNNXBMFYSA-N 0 0 396.447 4.207 20 5 GIBDRN Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n[nH]2)o1 ZINC000185422653 822781705 /nfs/dbraw/zinc/78/17/05/822781705.db2.gz JJBRGHQOQHUVAJ-UHFFFAOYSA-N 0 0 387.421 4.034 20 5 GIBDRN COc1cccc(-n2c(NC(=O)c3ccccc3[N+](=O)[O-])nc3ccccc32)c1 ZINC000174387845 822782181 /nfs/dbraw/zinc/78/21/81/822782181.db2.gz SUZGBXNRINOOCD-UHFFFAOYSA-N 0 0 388.383 4.195 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000185428754 822782606 /nfs/dbraw/zinc/78/26/06/822782606.db2.gz IRVJAARGPBJVAD-SJLPKXTDSA-N 0 0 392.459 4.227 20 5 GIBDRN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000174392778 822782927 /nfs/dbraw/zinc/78/29/27/822782927.db2.gz VRRUYRUENREJHR-NSHDSACASA-N 0 0 388.371 4.021 20 5 GIBDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456137771 822782988 /nfs/dbraw/zinc/78/29/88/822782988.db2.gz WOHBMDDXCLATGA-DTWKUNHWSA-N 0 0 384.276 4.417 20 5 GIBDRN COC(C)(C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)s1 ZINC000456171293 822786109 /nfs/dbraw/zinc/78/61/09/822786109.db2.gz UVAXXCWNKHAVTA-UHFFFAOYSA-N 0 0 392.481 4.314 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000174411402 822786557 /nfs/dbraw/zinc/78/65/57/822786557.db2.gz NGMSJYRFIJPKQQ-AUUYWEPGSA-N 0 0 386.473 4.227 20 5 GIBDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000185457379 822786748 /nfs/dbraw/zinc/78/67/48/822786748.db2.gz VKTWYABJNGMVCE-UHFFFAOYSA-N 0 0 390.403 4.029 20 5 GIBDRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000185458707 822786760 /nfs/dbraw/zinc/78/67/60/822786760.db2.gz IDVVNPFNFASVCE-UHFFFAOYSA-N 0 0 394.412 4.349 20 5 GIBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000456196246 822787576 /nfs/dbraw/zinc/78/75/76/822787576.db2.gz WSZWSLSSOJLZIB-GUYCJALGSA-N 0 0 396.447 4.262 20 5 GIBDRN CCOc1cc(NCc2cccc(COC3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000174422456 822787797 /nfs/dbraw/zinc/78/77/97/822787797.db2.gz LSNMCEKKMHGMTJ-UHFFFAOYSA-N 0 0 386.448 4.301 20 5 GIBDRN O=C(N[C@@H]1CC12CCOCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000456245390 822789727 /nfs/dbraw/zinc/78/97/27/822789727.db2.gz NZOGMHOABRXTOY-GOSISDBHSA-N 0 0 390.505 4.176 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ccc(OCC(F)(F)F)nc2)c2ncccc12 ZINC000052103710 822790480 /nfs/dbraw/zinc/79/04/80/822790480.db2.gz RZTDMGHALSRJAT-UHFFFAOYSA-N 0 0 378.310 4.091 20 5 GIBDRN CCOCCOCc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000052131709 822791170 /nfs/dbraw/zinc/79/11/70/822791170.db2.gz AXAPPXKBLZRDRW-UHFFFAOYSA-N 0 0 381.432 4.308 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000185501255 822791316 /nfs/dbraw/zinc/79/13/16/822791316.db2.gz KXCYSLGMCZAUQH-INIZCTEOSA-N 0 0 387.505 4.010 20 5 GIBDRN COCC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456299212 822795586 /nfs/dbraw/zinc/79/55/86/822795586.db2.gz SKNRZJJELZKDCC-ZDUSSCGKSA-N 0 0 388.367 4.183 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456315336 822797597 /nfs/dbraw/zinc/79/75/97/822797597.db2.gz JUWIJANWGRCGQN-VYDXJSESSA-N 0 0 392.521 4.110 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174508006 822798588 /nfs/dbraw/zinc/79/85/88/822798588.db2.gz RXBJUOHWUMDIQV-UHFFFAOYSA-N 0 0 378.388 4.446 20 5 GIBDRN C[C@H](NC(=O)N1Cc2cccc(Br)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000185600178 822800905 /nfs/dbraw/zinc/80/09/05/822800905.db2.gz OKOXFUNPBYKAAN-NSHDSACASA-N 0 0 390.237 4.144 20 5 GIBDRN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccncc21 ZINC000052473595 822801128 /nfs/dbraw/zinc/80/11/28/822801128.db2.gz BNUIFLWPSNKMQS-UHFFFAOYSA-N 0 0 398.413 4.498 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185622052 822803444 /nfs/dbraw/zinc/80/34/44/822803444.db2.gz SYLVZOKUBUAHDB-VIFPVBQESA-N 0 0 390.793 4.475 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185622037 822803449 /nfs/dbraw/zinc/80/34/49/822803449.db2.gz SYLVZOKUBUAHDB-SECBINFHSA-N 0 0 390.793 4.475 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](c4cccc(Cl)c4)C3)co2)cc1 ZINC000185626720 822803820 /nfs/dbraw/zinc/80/38/20/822803820.db2.gz GYQMTLXQQIUFJD-LJQANCHMSA-N 0 0 399.834 4.477 20 5 GIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c2ncccc12 ZINC000185637463 822805168 /nfs/dbraw/zinc/80/51/68/822805168.db2.gz LVIXGGHLBBHMMR-UHFFFAOYSA-N 0 0 398.227 4.251 20 5 GIBDRN O=C1C[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000185640272 822805501 /nfs/dbraw/zinc/80/55/01/822805501.db2.gz HWKIDLBQMYFVSU-ZDUSSCGKSA-N 0 0 394.258 4.362 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456420626 822805900 /nfs/dbraw/zinc/80/59/00/822805900.db2.gz WTCSQNZEAFQPRH-JFIYKMOQSA-N 0 0 396.443 4.010 20 5 GIBDRN CCc1nc2ccccc2n1C1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185666584 822808271 /nfs/dbraw/zinc/80/82/71/822808271.db2.gz OMBJWLASSAETNV-UHFFFAOYSA-N 0 0 380.448 4.357 20 5 GIBDRN Cc1ccc(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2F)c(Br)c1 ZINC000185676281 822808984 /nfs/dbraw/zinc/80/89/84/822808984.db2.gz AXPCANDLJPUOCC-UHFFFAOYSA-N 0 0 397.200 4.131 20 5 GIBDRN CSc1ccc(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000456535727 822814036 /nfs/dbraw/zinc/81/40/36/822814036.db2.gz MOEAOBXYHWBDBO-JSGCOSHPSA-N 0 0 378.475 4.028 20 5 GIBDRN NC(=O)c1ccc(-c2nc(COc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1 ZINC000052889460 822814288 /nfs/dbraw/zinc/81/42/88/822814288.db2.gz LLTDKPZVBIJLKX-UHFFFAOYSA-N 0 0 389.820 4.050 20 5 GIBDRN Cc1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)no1 ZINC000052951596 822816579 /nfs/dbraw/zinc/81/65/79/822816579.db2.gz WGGABJKQXPZHKG-UHFFFAOYSA-N 0 0 386.795 4.409 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)NCc2ccccc2F)cc1[N+](=O)[O-])c1ccccn1 ZINC000052955236 822816865 /nfs/dbraw/zinc/81/68/65/822816865.db2.gz HKDYQKDWLNVWHQ-CQSZACIVSA-N 0 0 394.406 4.232 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456568500 822816885 /nfs/dbraw/zinc/81/68/85/822816885.db2.gz PFBRKPWQMLSLST-YVEFUNNKSA-N 0 0 390.823 4.362 20 5 GIBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cn(C)c2ccccc12 ZINC000185752347 822817623 /nfs/dbraw/zinc/81/76/23/822817623.db2.gz YMYPDAGVSLUAFF-LLVKDONJSA-N 0 0 389.358 4.430 20 5 GIBDRN CN1CCC[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c2ccccc21 ZINC000456598572 822818909 /nfs/dbraw/zinc/81/89/09/822818909.db2.gz BBQJCOUXKGJWJJ-AWEZNQCLSA-N 0 0 393.365 4.315 20 5 GIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c(C)c1O ZINC000185764233 822818921 /nfs/dbraw/zinc/81/89/21/822818921.db2.gz CSWDLSAKRJBNLB-UHFFFAOYSA-N 0 0 386.451 4.424 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2ccc(OCC(F)(F)F)nc2)cc1OC(F)F ZINC000174683008 822822794 /nfs/dbraw/zinc/82/27/94/822822794.db2.gz MFEQCGWSPJFPKA-UHFFFAOYSA-N 0 0 393.268 4.144 20 5 GIBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000053129406 822822905 /nfs/dbraw/zinc/82/29/05/822822905.db2.gz XOIJONCIAUBTCD-ZDUSSCGKSA-N 0 0 390.399 4.233 20 5 GIBDRN CCc1ccsc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000053152386 822823856 /nfs/dbraw/zinc/82/38/56/822823856.db2.gz XFEHNFHHHGOPHO-OAHLLOKOSA-N 0 0 390.461 4.032 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000053157236 822824082 /nfs/dbraw/zinc/82/40/82/822824082.db2.gz QIVMNNFQSWELHN-QGZVFWFLSA-N 0 0 389.839 4.032 20 5 GIBDRN 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822833539 /nfs/dbraw/zinc/83/35/39/822833539.db2.gz PXJMRUUMIBUFDO-HXUWFJFHSA-N 0 0 396.487 4.072 20 5 GIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456820263 822834852 /nfs/dbraw/zinc/83/48/52/822834852.db2.gz AQGVGZXOLZCLNF-OAHLLOKOSA-N 0 0 378.400 4.329 20 5 GIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456828962 822835901 /nfs/dbraw/zinc/83/59/01/822835901.db2.gz HOOUWYZOTXZSAO-IBGZPJMESA-N 0 0 385.370 4.191 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NCCc2ccsc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053463677 822836154 /nfs/dbraw/zinc/83/61/54/822836154.db2.gz FFQRUEPKSXOPHG-AWEZNQCLSA-N 0 0 396.472 4.197 20 5 GIBDRN CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000185982361 822840716 /nfs/dbraw/zinc/84/07/16/822840716.db2.gz NHSMNPFKLCNYSX-UHFFFAOYSA-N 0 0 387.461 4.051 20 5 GIBDRN CNC(=O)c1ccc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000053558712 822840861 /nfs/dbraw/zinc/84/08/61/822840861.db2.gz UMYTVHOVMTVZBO-JTQLQIEISA-N 0 0 383.326 4.026 20 5 GIBDRN O=C1CCCCN1c1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000053582956 822841644 /nfs/dbraw/zinc/84/16/44/822841644.db2.gz HRQPKXWSFIDBQH-UHFFFAOYSA-N 0 0 376.416 4.272 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000456919863 822841707 /nfs/dbraw/zinc/84/17/07/822841707.db2.gz IGFCKZXTUNDCDT-RUCARUNLSA-N 0 0 382.460 4.286 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(SC)c([N+](=O)[O-])c3)C2)c1 ZINC000456942341 822843326 /nfs/dbraw/zinc/84/33/26/822843326.db2.gz LDTFYIUZSNDQFE-WKILWMFISA-N 0 0 386.473 4.344 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000053674572 822844297 /nfs/dbraw/zinc/84/42/97/822844297.db2.gz OHVGAHWCLYHMKB-UHFFFAOYSA-N 0 0 390.852 4.206 20 5 GIBDRN C[C@]12CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456980303 822844416 /nfs/dbraw/zinc/84/44/16/822844416.db2.gz KTZZERPJSAOTLT-VQUBLIAUSA-N 0 0 390.458 4.329 20 5 GIBDRN Cc1csc([C@H](C)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000186025523 822844827 /nfs/dbraw/zinc/84/48/27/822844827.db2.gz DJQUMFZWBFXQRQ-SNVBAGLBSA-N 0 0 388.474 4.017 20 5 GIBDRN O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000186027144 822844958 /nfs/dbraw/zinc/84/49/58/822844958.db2.gz AJGQYWBJEXRKIB-CHWSQXEVSA-N 0 0 376.334 4.095 20 5 GIBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000174841597 822845070 /nfs/dbraw/zinc/84/50/70/822845070.db2.gz JWIRYVBMWFNHCT-UHFFFAOYSA-N 0 0 399.838 4.073 20 5 GIBDRN COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000457012495 822846163 /nfs/dbraw/zinc/84/61/63/822846163.db2.gz STEOIZJXRZJYMM-GRYCIOLGSA-N 0 0 386.395 4.149 20 5 GIBDRN CCCOc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174849748 822846299 /nfs/dbraw/zinc/84/62/99/822846299.db2.gz RNTMEZWUGIMPMM-UHFFFAOYSA-N 0 0 399.447 4.459 20 5 GIBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000174853359 822846743 /nfs/dbraw/zinc/84/67/43/822846743.db2.gz RXFBDBQVLCLHMB-IBGZPJMESA-N 0 0 378.831 4.333 20 5 GIBDRN Cc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000053760788 822847283 /nfs/dbraw/zinc/84/72/83/822847283.db2.gz GCCJEMZWPWAEDI-AWEZNQCLSA-N 0 0 377.404 4.119 20 5 GIBDRN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000174858716 822847390 /nfs/dbraw/zinc/84/73/90/822847390.db2.gz DRDRXCLXMOVSMN-NSHDSACASA-N 0 0 398.366 4.433 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000053761240 822847391 /nfs/dbraw/zinc/84/73/91/822847391.db2.gz SLNWUKVLOUMKPM-HUUCEWRRSA-N 0 0 391.431 4.049 20 5 GIBDRN COCc1cccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000186057239 822847957 /nfs/dbraw/zinc/84/79/57/822847957.db2.gz XXLRHGUVQUDJDZ-UHFFFAOYSA-N 0 0 383.429 4.046 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(O)c1 ZINC000053790416 822848110 /nfs/dbraw/zinc/84/81/10/822848110.db2.gz COTICHFYZSZPFB-CQSZACIVSA-N 0 0 392.415 4.429 20 5 GIBDRN C[C@@](Cc1ccccc1)(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457057330 822848711 /nfs/dbraw/zinc/84/87/11/822848711.db2.gz XQKMCARGLLRETF-QFIPXVFZSA-N 0 0 380.444 4.085 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](CCc4ccccc4)C3)co2)cc1 ZINC000186066322 822848788 /nfs/dbraw/zinc/84/87/88/822848788.db2.gz OGADHTLBLVTCMK-NRFANRHFSA-N 0 0 393.443 4.083 20 5 GIBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc([N+](=O)[O-])cc1F ZINC000186087197 822850393 /nfs/dbraw/zinc/85/03/93/822850393.db2.gz KEDOWTCCFVNEFZ-UHFFFAOYSA-N 0 0 396.762 4.297 20 5 GIBDRN CN(C(=O)CSc1nc2cc(Cl)ccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000053850080 822850751 /nfs/dbraw/zinc/85/07/51/822850751.db2.gz DAFLTLRLINKJOG-UHFFFAOYSA-N 0 0 377.809 4.145 20 5 GIBDRN Cc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000186093179 822850778 /nfs/dbraw/zinc/85/07/78/822850778.db2.gz FTIBYSFKDJAYKN-UHFFFAOYSA-N 0 0 392.799 4.467 20 5 GIBDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000053868735 822851279 /nfs/dbraw/zinc/85/12/79/822851279.db2.gz BPEOAYAKFSLHQL-LLVKDONJSA-N 0 0 395.278 4.154 20 5 GIBDRN COC1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000053884229 822851630 /nfs/dbraw/zinc/85/16/30/822851630.db2.gz YCNXWTQPCPNEFS-UHFFFAOYSA-N 0 0 386.473 4.305 20 5 GIBDRN CSc1cccc(C(=O)NCCCCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000186113025 822852808 /nfs/dbraw/zinc/85/28/08/822852808.db2.gz GJCXUWKXJPJYGQ-UHFFFAOYSA-N 0 0 378.425 4.045 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1[N+](=O)[O-] ZINC000186145577 822855493 /nfs/dbraw/zinc/85/54/93/822855493.db2.gz DVRLHZXNHHDOIU-UHFFFAOYSA-N 0 0 387.461 4.472 20 5 GIBDRN CCc1ccccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005449 822857067 /nfs/dbraw/zinc/85/70/67/822857067.db2.gz RFBQUYIGMQGYJY-GOSISDBHSA-N 0 0 399.447 4.362 20 5 GIBDRN CSc1cccc(C(=O)NCc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000186163425 822857138 /nfs/dbraw/zinc/85/71/38/822857138.db2.gz YBYXNIRPACFQOE-UHFFFAOYSA-N 0 0 387.280 4.071 20 5 GIBDRN CC(C)[C@H]1N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC12CCCC2 ZINC000457171964 822858869 /nfs/dbraw/zinc/85/88/69/822858869.db2.gz QCZMHKSRBIODSS-HXUWFJFHSA-N 0 0 385.508 4.238 20 5 GIBDRN C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054086007 822861826 /nfs/dbraw/zinc/86/18/26/822861826.db2.gz LEGLQBUWSHDTKU-BBWFWOEESA-N 0 0 396.491 4.305 20 5 GIBDRN COCCC1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCC1 ZINC000186290122 822871479 /nfs/dbraw/zinc/87/14/79/822871479.db2.gz KWPYLOQHWBSKAX-UHFFFAOYSA-N 0 0 389.496 4.256 20 5 GIBDRN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569049070 822873574 /nfs/dbraw/zinc/87/35/74/822873574.db2.gz VXBDLLMKQOAFAB-HNNXBMFYSA-N 0 0 399.275 4.388 20 5 GIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2cnc(Cc3ccccc3F)s2)n1 ZINC000569049895 822873782 /nfs/dbraw/zinc/87/37/82/822873782.db2.gz GABNBUQSIACUDD-UHFFFAOYSA-N 0 0 396.403 4.422 20 5 GIBDRN O=C(CCCc1nc2ccccc2s1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186309905 822874569 /nfs/dbraw/zinc/87/45/69/822874569.db2.gz PKKKKGLFVBQSHH-UHFFFAOYSA-N 0 0 389.864 4.497 20 5 GIBDRN CC(C)(C)n1nc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1C1CC1 ZINC000186333567 822877581 /nfs/dbraw/zinc/87/75/81/822877581.db2.gz QFSJZQUGHWDXIS-UHFFFAOYSA-N 0 0 376.844 4.007 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175073751 822877881 /nfs/dbraw/zinc/87/78/81/822877881.db2.gz HYVRFPJYKKNIJG-UHFFFAOYSA-N 0 0 389.673 4.428 20 5 GIBDRN COc1ccc(S[C@H](C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000186340955 822878368 /nfs/dbraw/zinc/87/83/68/822878368.db2.gz XBYZPKWASGRXCD-LLVKDONJSA-N 0 0 380.853 4.054 20 5 GIBDRN C[C@H](OCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000054368962 822879001 /nfs/dbraw/zinc/87/90/01/822879001.db2.gz IPYOCQMNDAJZFK-HNNXBMFYSA-N 0 0 383.448 4.067 20 5 GIBDRN C[C@@H](OCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000054368964 822879142 /nfs/dbraw/zinc/87/91/42/822879142.db2.gz IPYOCQMNDAJZFK-OAHLLOKOSA-N 0 0 383.448 4.067 20 5 GIBDRN CC[C@H](C)n1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1C ZINC000569108281 822880477 /nfs/dbraw/zinc/88/04/77/822880477.db2.gz INVZGJGSSVETCK-VIFPVBQESA-N 0 0 381.230 4.086 20 5 GIBDRN O=c1nc(SCc2csc([N+](=O)[O-])c2)[nH]c2sc3c(c21)CCCC3 ZINC000054421680 822883551 /nfs/dbraw/zinc/88/35/51/822883551.db2.gz KNKFBSBGEMJPAK-UHFFFAOYSA-N 0 0 379.488 4.125 20 5 GIBDRN Cc1cc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1Cl ZINC000569148206 822883827 /nfs/dbraw/zinc/88/38/27/822883827.db2.gz JRDZZUBTSINDJT-UHFFFAOYSA-N 0 0 384.617 4.275 20 5 GIBDRN CC(C)c1nn(C)c2sc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)cc12 ZINC000175120719 822886196 /nfs/dbraw/zinc/88/61/96/822886196.db2.gz KFOASZDSKIKKPZ-LLVKDONJSA-N 0 0 384.461 4.258 20 5 GIBDRN Cc1sc2ncn(Cc3csc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 ZINC000054444129 822886407 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4.034 20 5 GIBDRN C[C@H](NC(=O)NCc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000054754983 822910099 /nfs/dbraw/zinc/91/00/99/822910099.db2.gz OEFDVVBULCIXGK-JTQLQIEISA-N 0 0 396.216 4.057 20 5 GIBDRN Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3F)s2)cc1F ZINC000054763202 822911083 /nfs/dbraw/zinc/91/10/83/822911083.db2.gz NGAHRQGHFNXURT-UHFFFAOYSA-N 0 0 389.383 4.481 20 5 GIBDRN O=C(Nc1ncc(-c2ccccn2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569367153 822911930 /nfs/dbraw/zinc/91/19/30/822911930.db2.gz GQWMKPHHMYQENB-UHFFFAOYSA-N 0 0 394.334 4.384 20 5 GIBDRN CSc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000186552898 822912080 /nfs/dbraw/zinc/91/20/80/822912080.db2.gz QGLBDGFSLXXNBK-UHFFFAOYSA-N 0 0 376.865 4.432 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(Cl)c2n1C ZINC000186553865 822912267 /nfs/dbraw/zinc/91/22/67/822912267.db2.gz CXTHVEUQVCQBLO-UHFFFAOYSA-N 0 0 390.852 4.499 20 5 GIBDRN COc1c(-c2nc(Cc3csc(-c4ccccc4)n3)no2)cccc1[N+](=O)[O-] ZINC000569388156 822914664 /nfs/dbraw/zinc/91/46/64/822914664.db2.gz NPOQOSRPAYUBFS-UHFFFAOYSA-N 0 0 394.412 4.368 20 5 GIBDRN CCC[C@@H](C)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000175252432 822914767 /nfs/dbraw/zinc/91/47/67/822914767.db2.gz ZKADPVUIVVXWFU-SECBINFHSA-N 0 0 381.230 4.236 20 5 GIBDRN CCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000569423590 822920958 /nfs/dbraw/zinc/92/09/58/822920958.db2.gz WGUMOGPAFRKXMW-SJORKVTESA-N 0 0 397.475 4.273 20 5 GIBDRN O=C(Nc1c(F)cc(F)cc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175303705 822929840 /nfs/dbraw/zinc/92/98/40/822929840.db2.gz NMTKAPRFRFMAAT-UHFFFAOYSA-N 0 0 379.319 4.388 20 5 GIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000457922972 822936870 /nfs/dbraw/zinc/93/68/70/822936870.db2.gz HISRDKLRYOCEDV-MRVPVSSYSA-N 0 0 385.367 4.050 20 5 GIBDRN C[C@H](C(=O)N(C)CCCc1cc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000569540795 822937122 /nfs/dbraw/zinc/93/71/22/822937122.db2.gz FPXKJPBDTUTUBH-INIZCTEOSA-N 0 0 393.443 4.445 20 5 GIBDRN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000055097671 822938113 /nfs/dbraw/zinc/93/81/13/822938113.db2.gz PAGAOWIKZOKOJI-UHFFFAOYSA-N 0 0 385.376 4.045 20 5 GIBDRN COc1ccc(F)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152644 822941508 /nfs/dbraw/zinc/94/15/08/822941508.db2.gz GFNCPLTXZPOFQP-QWRGUYRKSA-N 0 0 395.818 4.074 20 5 GIBDRN CCOc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000175350362 822941970 /nfs/dbraw/zinc/94/19/70/822941970.db2.gz GAUKHWKMFNVKOF-UHFFFAOYSA-N 0 0 385.420 4.069 20 5 GIBDRN CC(=O)Nc1c(C)ccc(N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000055156258 822942160 /nfs/dbraw/zinc/94/21/60/822942160.db2.gz OWXLCCJETOQAIA-CYBMUJFWSA-N 0 0 395.419 4.393 20 5 GIBDRN COc1cc(C)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000055155708 822942165 /nfs/dbraw/zinc/94/21/65/822942165.db2.gz WLIVDEODQOLSQK-NSHDSACASA-N 0 0 397.353 4.370 20 5 GIBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000569587039 822942590 /nfs/dbraw/zinc/94/25/90/822942590.db2.gz SBLSUZCQVLQKET-UHFFFAOYSA-N 0 0 387.867 4.218 20 5 GIBDRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000569606716 822944086 /nfs/dbraw/zinc/94/40/86/822944086.db2.gz HZYGPQURNCEPNF-UHFFFAOYSA-N 0 0 394.786 4.054 20 5 GIBDRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000457959938 822944255 /nfs/dbraw/zinc/94/42/55/822944255.db2.gz VNCSEUIFIRAOBJ-LLVKDONJSA-N 0 0 382.338 4.422 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000457978284 822947129 /nfs/dbraw/zinc/94/71/29/822947129.db2.gz SOJYZCZSFLGGBK-DLBZAZTESA-N 0 0 390.505 4.128 20 5 GIBDRN CC(=O)Nc1ccc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000186774320 822953331 /nfs/dbraw/zinc/95/33/31/822953331.db2.gz RNHNDCYAHPYQSE-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458087688 822956876 /nfs/dbraw/zinc/95/68/76/822956876.db2.gz MAAPFVWEUJYLII-SFTDATJTSA-N 0 0 390.443 4.189 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458104617 822958745 /nfs/dbraw/zinc/95/87/45/822958745.db2.gz WTGDLDWHBJOTID-CTNGQTDRSA-N 0 0 390.443 4.189 20 5 GIBDRN CC(C)(NC(=O)NCc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000175405766 822960948 /nfs/dbraw/zinc/96/09/48/822960948.db2.gz WDBUPHGTTQGDOB-UHFFFAOYSA-N 0 0 398.282 4.153 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000569747525 822962780 /nfs/dbraw/zinc/96/27/80/822962780.db2.gz SNKDUKBPYDGBSU-MOPGFXCFSA-N 0 0 387.411 4.338 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(SC)c1[N+](=O)[O-])CCC2 ZINC000186837997 822964786 /nfs/dbraw/zinc/96/47/86/822964786.db2.gz DLYYNXYYIUTJJC-CYBMUJFWSA-N 0 0 391.518 4.485 20 5 GIBDRN COc1cc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000458173330 822965059 /nfs/dbraw/zinc/96/50/59/822965059.db2.gz HRXFRPHQXRUSGC-SFHVURJKSA-N 0 0 376.453 4.043 20 5 GIBDRN C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000055465718 822966874 /nfs/dbraw/zinc/96/68/74/822966874.db2.gz OINJGAUJGYVZFI-ZDUSSCGKSA-N 0 0 395.440 4.400 20 5 GIBDRN Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000055466543 822967026 /nfs/dbraw/zinc/96/70/26/822967026.db2.gz MFVBTZCQIJZWID-GFCCVEGCSA-N 0 0 384.823 4.233 20 5 GIBDRN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000055466715 822967044 /nfs/dbraw/zinc/96/70/44/822967044.db2.gz BWSIZUQRDCSWIC-AWEZNQCLSA-N 0 0 376.416 4.149 20 5 GIBDRN C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000055467485 822967285 /nfs/dbraw/zinc/96/72/85/822967285.db2.gz FSFIOKROHAHHKF-CQSZACIVSA-N 0 0 397.456 4.360 20 5 GIBDRN COc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(OC)c1Cl ZINC000458215268 822969880 /nfs/dbraw/zinc/96/98/80/822969880.db2.gz GCJYFKMRXWNZNN-UHFFFAOYSA-N 0 0 378.812 4.443 20 5 GIBDRN CC(C)(NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000175450120 822971852 /nfs/dbraw/zinc/97/18/52/822971852.db2.gz SQUSLMJTFZYDMS-PXNSSMCTSA-N 0 0 397.475 4.297 20 5 GIBDRN COc1ccc(CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1OC ZINC000569817441 822972343 /nfs/dbraw/zinc/97/23/43/822972343.db2.gz MHQOAPIRKRDGMG-QGZVFWFLSA-N 0 0 384.354 4.048 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055524210 822974314 /nfs/dbraw/zinc/97/43/14/822974314.db2.gz SVEDVPCTYZGDAC-CQSZACIVSA-N 0 0 389.795 4.004 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186912050 822978884 /nfs/dbraw/zinc/97/88/84/822978884.db2.gz KWKIUQKHDQBDMB-QFIPXVFZSA-N 0 0 380.444 4.164 20 5 GIBDRN CSc1cccc(C(=O)NCCc2csc(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000186915259 822979409 /nfs/dbraw/zinc/97/94/09/822979409.db2.gz WARNDNOIUMJFSG-UHFFFAOYSA-N 0 0 379.507 4.043 20 5 GIBDRN Cc1noc([C@H]2CCCN2Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000569969141 822991244 /nfs/dbraw/zinc/99/12/44/822991244.db2.gz SKQASVBRFLZKCJ-LJQANCHMSA-N 0 0 393.447 4.391 20 5 GIBDRN Cc1cccc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] ZINC000055644703 822991313 /nfs/dbraw/zinc/99/13/13/822991313.db2.gz MWLKOHSXVBDUJG-INIZCTEOSA-N 0 0 391.427 4.368 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H]2CCCOc3c(F)cccc32)c1[N+](=O)[O-] ZINC000186981898 822992028 /nfs/dbraw/zinc/99/20/28/822992028.db2.gz JABAHADWAYLKRZ-CQSZACIVSA-N 0 0 376.409 4.100 20 5 GIBDRN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000055648044 822992520 /nfs/dbraw/zinc/99/25/20/822992520.db2.gz HBKKNKJHADPCNZ-ZDUSSCGKSA-N 0 0 383.429 4.121 20 5 GIBDRN CCO[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000175552230 822995805 /nfs/dbraw/zinc/99/58/05/822995805.db2.gz CAZXDILXFKYJST-MRXNPFEDSA-N 0 0 399.285 4.073 20 5 GIBDRN CC(=O)Nc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1ccccc1 ZINC000187014677 822997692 /nfs/dbraw/zinc/99/76/92/822997692.db2.gz LZQRXEJCFXXBLY-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1cccs1)C1CC1 ZINC000175571407 822999974 /nfs/dbraw/zinc/99/99/74/822999974.db2.gz BUSLWQDLOBWEHN-UHFFFAOYSA-N 0 0 381.251 4.224 20 5 GIBDRN Cc1c(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cccc1[N+](=O)[O-] ZINC000187037958 823002178 /nfs/dbraw/zinc/00/21/78/823002178.db2.gz KPOAGFUJEVUDLD-UHFFFAOYSA-N 0 0 376.368 4.092 20 5 GIBDRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000570072351 823003326 /nfs/dbraw/zinc/00/33/26/823003326.db2.gz XOTKSZAKEDEFMS-DNVCBOLYSA-N 0 0 383.448 4.286 20 5 GIBDRN Cc1ccc(-c2ncccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000187058690 823005048 /nfs/dbraw/zinc/00/50/48/823005048.db2.gz XFCVAGCWIXRAMR-UHFFFAOYSA-N 0 0 383.429 4.434 20 5 GIBDRN CC[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC)cc1 ZINC000570136051 823009197 /nfs/dbraw/zinc/00/91/97/823009197.db2.gz CVYBTLOSUCQDJC-LJQANCHMSA-N 0 0 396.447 4.078 20 5 GIBDRN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(-c3ccncc3)cc2)c1[N+](=O)[O-] ZINC000570185781 823013425 /nfs/dbraw/zinc/01/34/25/823013425.db2.gz MHAJVNSBTAFNAX-CQSZACIVSA-N 0 0 392.415 4.320 20 5 GIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000175672339 823017304 /nfs/dbraw/zinc/01/73/04/823017304.db2.gz RDEAQFWNHQVYPS-CYBMUJFWSA-N 0 0 392.371 4.056 20 5 GIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000187150974 823018086 /nfs/dbraw/zinc/01/80/86/823018086.db2.gz JNHAUZPNHWFFPU-UHFFFAOYSA-N 0 0 399.834 4.190 20 5 GIBDRN COc1cc(OCc2nc(C3(c4cc(F)ccc4C)CC3)no2)ccc1[N+](=O)[O-] ZINC000570268698 823021084 /nfs/dbraw/zinc/02/10/84/823021084.db2.gz LZGSGKIPBTZOPN-UHFFFAOYSA-N 0 0 399.378 4.093 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000570322756 823025665 /nfs/dbraw/zinc/02/56/65/823025665.db2.gz IFKZYGYPBNSAOF-UHFFFAOYSA-N 0 0 376.482 4.275 20 5 GIBDRN Cc1cc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(N2CCCC2)n1 ZINC000570337926 823026931 /nfs/dbraw/zinc/02/69/31/823026931.db2.gz PAZROCTVEJQNSO-SFHVURJKSA-N 0 0 394.397 4.292 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735804 823029233 /nfs/dbraw/zinc/02/92/33/823029233.db2.gz DGGGZJCNWWEZJK-JKSUJKDBSA-N 0 0 385.489 4.480 20 5 GIBDRN CCn1cnnc1-c1ccccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187245180 823029794 /nfs/dbraw/zinc/02/97/94/823029794.db2.gz FKCZHVVJBBGLSZ-UHFFFAOYSA-N 0 0 379.420 4.249 20 5 GIBDRN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000175759064 823033184 /nfs/dbraw/zinc/03/31/84/823033184.db2.gz WGMXSTBLEHCONA-UHFFFAOYSA-N 0 0 396.230 4.292 20 5 GIBDRN Cc1cc(OCc2nc(-c3ccc(N4CCCC4)cc3)no2)ccc1[N+](=O)[O-] ZINC000570435336 823037936 /nfs/dbraw/zinc/03/79/36/823037936.db2.gz IIVQVCOIAGEZHK-UHFFFAOYSA-N 0 0 380.404 4.132 20 5 GIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055755425 823038312 /nfs/dbraw/zinc/03/83/12/823038312.db2.gz CLDPMYBEGPFQQK-CYBMUJFWSA-N 0 0 385.395 4.001 20 5 GIBDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000175779532 823038393 /nfs/dbraw/zinc/03/83/93/823038393.db2.gz APIBVFPWGOPTAX-SWLSCSKDSA-N 0 0 389.249 4.376 20 5 GIBDRN CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000175784686 823039518 /nfs/dbraw/zinc/03/95/18/823039518.db2.gz CQMVJTLQUNTGNQ-UHFFFAOYSA-N 0 0 387.592 4.426 20 5 GIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccn2)cc1 ZINC000055770857 823041575 /nfs/dbraw/zinc/04/15/75/823041575.db2.gz URTOPEMKSOUWAC-UHFFFAOYSA-N 0 0 393.399 4.111 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000055785251 823044043 /nfs/dbraw/zinc/04/40/43/823044043.db2.gz VDPMBXMKRVFJEM-INIZCTEOSA-N 0 0 375.222 4.335 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000055785284 823044066 /nfs/dbraw/zinc/04/40/66/823044066.db2.gz IACNCXLYZKTVKR-QGZVFWFLSA-N 0 0 389.249 4.264 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000055785794 823044533 /nfs/dbraw/zinc/04/45/33/823044533.db2.gz QWTAFZOLASJMLX-CYBMUJFWSA-N 0 0 381.251 4.396 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000177907349 823544861 /nfs/dbraw/zinc/54/48/61/823544861.db2.gz LHQYSYMVCNPUNF-LJQANCHMSA-N 0 0 396.834 4.232 20 5 GIBDRN CC1(C)CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000190170426 823545473 /nfs/dbraw/zinc/54/54/73/823545473.db2.gz QXVYJMGUTIHERR-ZDUSSCGKSA-N 0 0 384.358 4.055 20 5 GIBDRN CCOc1cc(C(=O)N2CCCc3ccc(C)c(F)c32)c([N+](=O)[O-])cc1OC ZINC000411104130 823546812 /nfs/dbraw/zinc/54/68/12/823546812.db2.gz WZTRHAOGRLBNLC-UHFFFAOYSA-N 0 0 388.395 4.043 20 5 GIBDRN CCOc1cc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000411108176 823547695 /nfs/dbraw/zinc/54/76/95/823547695.db2.gz ITSCBUAUXAPAJW-WMZOPIPTSA-N 0 0 398.459 4.410 20 5 GIBDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000411108999 823547900 /nfs/dbraw/zinc/54/79/00/823547900.db2.gz FLEYYSLIOBNOAG-LLVKDONJSA-N 0 0 382.338 4.039 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cc1OC ZINC000411109948 823548019 /nfs/dbraw/zinc/54/80/19/823548019.db2.gz NMPWGPSSEPIGEF-FUHWJXTLSA-N 0 0 398.459 4.410 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000411109945 823548061 /nfs/dbraw/zinc/54/80/61/823548061.db2.gz NMPWGPSSEPIGEF-AEFFLSMTSA-N 0 0 398.459 4.410 20 5 GIBDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000123957339 823555220 /nfs/dbraw/zinc/55/52/20/823555220.db2.gz NCXRKVOHAYFIGV-KRWDZBQOSA-N 0 0 387.480 4.151 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000411193338 823555948 /nfs/dbraw/zinc/55/59/48/823555948.db2.gz FJPMLRSMKGZZFA-UHFFFAOYSA-N 0 0 397.475 4.254 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)c1 ZINC000190255610 823556776 /nfs/dbraw/zinc/55/67/76/823556776.db2.gz 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GIBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](c2ccc(F)cc2)O1 ZINC000413169092 823720010 /nfs/dbraw/zinc/72/00/10/823720010.db2.gz XLVIFOZPSBGBAH-BMIGLBTASA-N 0 0 385.317 4.114 20 5 GIBDRN CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000413178465 823721856 /nfs/dbraw/zinc/72/18/56/823721856.db2.gz XYBPFEZXBLNRFB-SECBINFHSA-N 0 0 390.387 4.199 20 5 GIBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c(O[C@@H]2CCOC2)c1 ZINC000413206060 823727811 /nfs/dbraw/zinc/72/78/11/823727811.db2.gz YXNAHISPACXSKV-CQSZACIVSA-N 0 0 397.353 4.097 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000413211243 823728532 /nfs/dbraw/zinc/72/85/32/823728532.db2.gz HRGPWTSVJAZEET-TUNNFDKTSA-N 0 0 387.439 4.132 20 5 GIBDRN COc1ccccc1[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000163708183 823740307 /nfs/dbraw/zinc/74/03/07/823740307.db2.gz XKWIKDAGOFNGBB-BGVYSJOJSA-N 0 0 378.384 4.115 20 5 GIBDRN COc1ccccc1[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000163762670 823745939 /nfs/dbraw/zinc/74/59/39/823745939.db2.gz AGMGQZQYIVHIJP-GOSISDBHSA-N 0 0 386.791 4.369 20 5 GIBDRN CCOc1ccc([C@@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000064113180 823747929 /nfs/dbraw/zinc/74/79/29/823747929.db2.gz LOBXYKHMJCIVTL-CQSZACIVSA-N 0 0 394.431 4.131 20 5 GIBDRN O=C(CCc1ncc(-c2ccccc2)o1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163791485 823749392 /nfs/dbraw/zinc/74/93/92/823749392.db2.gz RRCBXJRFXSJFLY-UHFFFAOYSA-N 0 0 391.427 4.374 20 5 GIBDRN COc1ccc2c(c1)C1(CC1)CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000413308026 823750097 /nfs/dbraw/zinc/75/00/97/823750097.db2.gz JCCDUZFBGOMTIM-UHFFFAOYSA-N 0 0 379.338 4.069 20 5 GIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000125952018 823751482 /nfs/dbraw/zinc/75/14/82/823751482.db2.gz GMMXRKMTWPAGII-UHFFFAOYSA-N 0 0 397.818 4.408 20 5 GIBDRN CC(C)CN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000064128755 823751912 /nfs/dbraw/zinc/75/19/12/823751912.db2.gz ZJVNRBSVHHYHEH-UHFFFAOYSA-N 0 0 383.164 4.018 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000461915563 823752333 /nfs/dbraw/zinc/75/23/33/823752333.db2.gz HHJMIQCIDJBRMW-UHFFFAOYSA-N 0 0 391.305 4.199 20 5 GIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(CC1)OCCc1ccccc12 ZINC000413324623 823752876 /nfs/dbraw/zinc/75/28/76/823752876.db2.gz DVGVDTKFRUIGAO-UHFFFAOYSA-N 0 0 375.428 4.211 20 5 GIBDRN Cc1c(Br)c(N[C@@H]2CCO[C@@H](c3cccs3)C2)ncc1[N+](=O)[O-] ZINC000413355784 823758768 /nfs/dbraw/zinc/75/87/68/823758768.db2.gz SPPHIXNQWIFGIE-ZYHUDNBSSA-N 0 0 398.282 4.454 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@H](c3cccs3)C2)c(Br)c1 ZINC000413358147 823759038 /nfs/dbraw/zinc/75/90/38/823759038.db2.gz WELJSGCIYGMPGJ-BXKDBHETSA-N 0 0 384.255 4.146 20 5 GIBDRN O=C(CCSCc1cc2c(c(Cl)c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000574543888 823760584 /nfs/dbraw/zinc/76/05/84/823760584.db2.gz NPWUUOXGTVZRDE-UHFFFAOYSA-N 0 0 394.836 4.239 20 5 GIBDRN COc1cc(N2CCC[C@@H]2c2ccc(Br)cn2)c(F)cc1[N+](=O)[O-] ZINC000413373283 823762276 /nfs/dbraw/zinc/76/22/76/823762276.db2.gz JWUHDCSKAUOMAX-CYBMUJFWSA-N 0 0 396.216 4.242 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000413382281 823764591 /nfs/dbraw/zinc/76/45/91/823764591.db2.gz YLAOJZTVAWSHGG-OAHLLOKOSA-N 0 0 388.859 4.381 20 5 GIBDRN Cc1cc(N[C@H](CCO)c2ccccc2Br)c(F)cc1[N+](=O)[O-] ZINC000461937829 823765469 /nfs/dbraw/zinc/76/54/69/823765469.db2.gz QUUZLSFCYKARIG-CQSZACIVSA-N 0 0 383.217 4.340 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccccc1[N+](=O)[O-] ZINC000461945576 823767859 /nfs/dbraw/zinc/76/78/59/823767859.db2.gz LEBZLMNKDXQDNK-KBXCAEBGSA-N 0 0 397.479 4.344 20 5 GIBDRN Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949868 823769231 /nfs/dbraw/zinc/76/92/31/823769231.db2.gz RXSUSOPVFQZBNH-LBPRGKRZSA-N 0 0 395.385 4.232 20 5 GIBDRN Cc1cc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949953 823769304 /nfs/dbraw/zinc/76/93/04/823769304.db2.gz SSYWJQYHTUHFDM-LBPRGKRZSA-N 0 0 387.402 4.053 20 5 GIBDRN CCOc1cccc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000413405000 823769870 /nfs/dbraw/zinc/76/98/70/823769870.db2.gz PHGJCGYJGBVIMQ-OAHLLOKOSA-N 0 0 388.386 4.179 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c1[N+](=O)[O-] ZINC000126035964 823771094 /nfs/dbraw/zinc/77/10/94/823771094.db2.gz PMNIFQMCLZYMPI-UHFFFAOYSA-N 0 0 391.305 4.444 20 5 GIBDRN Cc1csc(NC(=O)CSc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000461963130 823773699 /nfs/dbraw/zinc/77/36/99/823773699.db2.gz QYTOTLWIGTZECN-UHFFFAOYSA-N 0 0 391.396 4.418 20 5 GIBDRN CSCc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000574593239 823774847 /nfs/dbraw/zinc/77/48/47/823774847.db2.gz USMLVLUHPZGAGL-ZDUSSCGKSA-N 0 0 376.503 4.255 20 5 GIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000164109591 823778771 /nfs/dbraw/zinc/77/87/71/823778771.db2.gz JXMYOKSTHCLCJG-MRXNPFEDSA-N 0 0 397.475 4.399 20 5 GIBDRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413453634 823780642 /nfs/dbraw/zinc/78/06/42/823780642.db2.gz IATFQPUNQZYSPW-UONOGXRCSA-N 0 0 398.312 4.417 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000126083451 823782606 /nfs/dbraw/zinc/78/26/06/823782606.db2.gz CRAWGSGHSGXOBF-UHFFFAOYSA-N 0 0 395.459 4.191 20 5 GIBDRN Cc1c(Br)c(N2CCn3c(cc4ccccc43)C2)ncc1[N+](=O)[O-] ZINC000461987298 823784337 /nfs/dbraw/zinc/78/43/37/823784337.db2.gz ARPOYNHWFLBTBS-UHFFFAOYSA-N 0 0 387.237 4.036 20 5 GIBDRN CCOc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OC(F)F ZINC000164189299 823784788 /nfs/dbraw/zinc/78/47/88/823784788.db2.gz DZKONTAWWYFRSI-UHFFFAOYSA-N 0 0 395.362 4.225 20 5 GIBDRN C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000413482835 823785870 /nfs/dbraw/zinc/78/58/70/823785870.db2.gz ZPHFKJXIQXBWTJ-VVHHDAOASA-N 0 0 382.485 4.404 20 5 GIBDRN CC(C)[C@H]1N(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC12CCOCC2 ZINC000413539228 823794832 /nfs/dbraw/zinc/79/48/32/823794832.db2.gz AQUQWWIHUVLZSQ-HXUWFJFHSA-N 0 0 397.475 4.210 20 5 GIBDRN Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000064332331 823795123 /nfs/dbraw/zinc/79/51/23/823795123.db2.gz XRACJEWXWMJDOY-UHFFFAOYSA-N 0 0 381.823 4.199 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000413586569 823801219 /nfs/dbraw/zinc/80/12/19/823801219.db2.gz MBGJBFDDMBUTAC-DLBZAZTESA-N 0 0 392.415 4.258 20 5 GIBDRN CC(C)(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1cccnc1 ZINC000413592816 823801858 /nfs/dbraw/zinc/80/18/58/823801858.db2.gz UVKDSYWIIQELTI-UHFFFAOYSA-N 0 0 390.312 4.429 20 5 GIBDRN CC[C@@H](C)n1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000126159023 823802574 /nfs/dbraw/zinc/80/25/74/823802574.db2.gz VVFABBGAEFFOBG-OAHLLOKOSA-N 0 0 384.480 4.392 20 5 GIBDRN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000064393806 823809485 /nfs/dbraw/zinc/80/94/85/823809485.db2.gz OOEKWLUKNHAFOX-GOPGUHFVSA-N 0 0 389.249 4.338 20 5 GIBDRN COc1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc([N+](=O)[O-])c1C ZINC000191926328 823813444 /nfs/dbraw/zinc/81/34/44/823813444.db2.gz YBIXDBOZTVOZKZ-UHFFFAOYSA-N 0 0 395.293 4.324 20 5 GIBDRN CCc1c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000191933331 823815307 /nfs/dbraw/zinc/81/53/07/823815307.db2.gz DPVQARLTMJOYBC-UHFFFAOYSA-N 0 0 384.823 4.273 20 5 GIBDRN Cc1cc(N(C)C)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064420643 823815529 /nfs/dbraw/zinc/81/55/29/823815529.db2.gz GTEFUXBAYUPDIW-GFCCVEGCSA-N 0 0 377.828 4.029 20 5 GIBDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126224840 823816064 /nfs/dbraw/zinc/81/60/64/823816064.db2.gz BFCRCMXSBJCRQU-ROUUACIJSA-N 0 0 386.473 4.138 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2F)cc1 ZINC000064423639 823816739 /nfs/dbraw/zinc/81/67/39/823816739.db2.gz BJDJBXQZJANVLZ-UHFFFAOYSA-N 0 0 380.375 4.494 20 5 GIBDRN Cc1ccc(C)c(OC2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000126239102 823818955 /nfs/dbraw/zinc/81/89/55/823818955.db2.gz TWALVAIVMKQQNJ-UHFFFAOYSA-N 0 0 382.460 4.214 20 5 GIBDRN COc1ccccc1N1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462089991 823824970 /nfs/dbraw/zinc/82/49/70/823824970.db2.gz BQOJHDBMEJDIRI-CYBMUJFWSA-N 0 0 393.390 4.143 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(OC(C)C)cc2Cl)c1F ZINC000413743273 823830040 /nfs/dbraw/zinc/83/00/40/823830040.db2.gz OQBAWSHSEWOBHX-UHFFFAOYSA-N 0 0 396.802 4.364 20 5 GIBDRN CC[C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000413743967 823830605 /nfs/dbraw/zinc/83/06/05/823830605.db2.gz RJGLBYWFMLOCBR-ZFWWWQNUSA-N 0 0 387.402 4.462 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)c1F ZINC000413754222 823834605 /nfs/dbraw/zinc/83/46/05/823834605.db2.gz GRDAOGIWPTVRKU-FQEVSTJZSA-N 0 0 392.402 4.280 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000574825576 823835100 /nfs/dbraw/zinc/83/51/00/823835100.db2.gz UJJBUFOODCSZLR-DOTOQJQBSA-N 0 0 392.459 4.289 20 5 GIBDRN Cc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000462123124 823836557 /nfs/dbraw/zinc/83/65/57/823836557.db2.gz VSSNZEWUCVIDFF-MRXNPFEDSA-N 0 0 391.374 4.112 20 5 GIBDRN CC(C)(C)Oc1cc(N2CCC[C@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000574887325 823851794 /nfs/dbraw/zinc/85/17/94/823851794.db2.gz GHFHQVLMHRBNGQ-AWEZNQCLSA-N 0 0 386.452 4.417 20 5 GIBDRN CCCCCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000064723778 823871975 /nfs/dbraw/zinc/87/19/75/823871975.db2.gz ZYKHWASIWCNKGU-JTQLQIEISA-N 0 0 398.872 4.238 20 5 GIBDRN O=C(CCSc1ncccc1[N+](=O)[O-])N[C@H](c1cccs1)c1ccccc1 ZINC000126462570 823873942 /nfs/dbraw/zinc/87/39/42/823873942.db2.gz IWMXETCQNWEZNM-SFHVURJKSA-N 0 0 399.497 4.439 20 5 GIBDRN O=C(NCC1(c2c(F)cccc2F)CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000413947360 823874778 /nfs/dbraw/zinc/87/47/78/823874778.db2.gz TWVLGECTCFOMIV-UHFFFAOYSA-N 0 0 380.778 4.378 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(OCCC(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000064752222 823880026 /nfs/dbraw/zinc/88/00/26/823880026.db2.gz SNPLJKKWAUVNEF-UHFFFAOYSA-N 0 0 388.420 4.289 20 5 GIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064761504 823881985 /nfs/dbraw/zinc/88/19/85/823881985.db2.gz NREZDIBATLHQGZ-BHYGNILZSA-N 0 0 382.464 4.084 20 5 GIBDRN Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2C)nc1-c1c[nH]c2ncccc12 ZINC000126496290 823884112 /nfs/dbraw/zinc/88/41/12/823884112.db2.gz GDHNVJMYLMLNLF-UHFFFAOYSA-N 0 0 393.428 4.464 20 5 GIBDRN Cc1ccc(OCc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000064779223 823884517 /nfs/dbraw/zinc/88/45/17/823884517.db2.gz LOICAHHYPGXNFL-UHFFFAOYSA-N 0 0 394.427 4.356 20 5 GIBDRN Cc1cc(C)c(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000575030875 823893568 /nfs/dbraw/zinc/89/35/68/823893568.db2.gz AKKOPKPRYKYXEX-NRFANRHFSA-N 0 0 378.476 4.175 20 5 GIBDRN CCc1nc2ccc(Cl)cn2c1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462245819 823894823 /nfs/dbraw/zinc/89/48/23/823894823.db2.gz JMRGWFILAVVNCD-UHFFFAOYSA-N 0 0 398.850 4.263 20 5 GIBDRN CSc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000064848710 823899255 /nfs/dbraw/zinc/89/92/55/823899255.db2.gz DDVSKEBQTCIKBS-UHFFFAOYSA-N 0 0 381.797 4.439 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000126605416 823909434 /nfs/dbraw/zinc/90/94/34/823909434.db2.gz ZTKFZRWGWXBWNX-FQEVSTJZSA-N 0 0 381.819 4.092 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(-c2nc(CCCOc3cccc4ccccc43)no2)n1 ZINC000575093110 823909857 /nfs/dbraw/zinc/90/98/57/823909857.db2.gz DTSMEFAQYPEYOD-UHFFFAOYSA-N 0 0 393.403 4.026 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000126611977 823911146 /nfs/dbraw/zinc/91/11/46/823911146.db2.gz WDHNKZAFZZFNHN-NRFANRHFSA-N 0 0 395.846 4.482 20 5 GIBDRN CNC(=O)c1ccc(N[C@@H](C)CCc2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000064914844 823911349 /nfs/dbraw/zinc/91/13/49/823911349.db2.gz LSXNVYNCUPVPOX-HNNXBMFYSA-N 0 0 385.464 4.175 20 5 GIBDRN CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462283209 823911765 /nfs/dbraw/zinc/91/17/65/823911765.db2.gz ZJFNZCZXQUSWAZ-NXEZZACHSA-N 0 0 395.308 4.489 20 5 GIBDRN COCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126616915 823911981 /nfs/dbraw/zinc/91/19/81/823911981.db2.gz ZRCWBNXZJAZEOI-UHFFFAOYSA-N 0 0 383.763 4.057 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nc2c(s1)CCCC2 ZINC000575099420 823912515 /nfs/dbraw/zinc/91/25/15/823912515.db2.gz WQHJBPZJCYFHNE-UHFFFAOYSA-N 0 0 388.493 4.247 20 5 GIBDRN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000462306622 823919019 /nfs/dbraw/zinc/91/90/19/823919019.db2.gz RRPWALDHVAYJLI-INIZCTEOSA-N 0 0 394.880 4.473 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000462317661 823922707 /nfs/dbraw/zinc/92/27/07/823922707.db2.gz ZHALEPVLFWTCCZ-UHFFFAOYSA-N 0 0 378.450 4.020 20 5 GIBDRN COc1cc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc(OC)c1Cl ZINC000414176493 823923483 /nfs/dbraw/zinc/92/34/83/823923483.db2.gz JBHULUJOTFBLOJ-CHWSQXEVSA-N 0 0 380.832 4.058 20 5 GIBDRN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000575157634 823926421 /nfs/dbraw/zinc/92/64/21/823926421.db2.gz ACMCXDSZDYJGJF-IAGOWNOFSA-N 0 0 382.441 4.460 20 5 GIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1C ZINC000065079880 823937795 /nfs/dbraw/zinc/93/77/95/823937795.db2.gz JOTMFUBXBSXGBJ-UHFFFAOYSA-N 0 0 399.428 4.200 20 5 GIBDRN CC(C)C[C@H](C)N(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]ccc2c1 ZINC000170707265 823948550 /nfs/dbraw/zinc/94/85/50/823948550.db2.gz IPVGHQCNLHRKJU-HNNXBMFYSA-N 0 0 383.452 4.131 20 5 GIBDRN Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000462378313 823949695 /nfs/dbraw/zinc/94/96/95/823949695.db2.gz SVDGYUOOQFXSFS-CTYIDZIISA-N 0 0 389.249 4.342 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000170726964 823955809 /nfs/dbraw/zinc/95/58/09/823955809.db2.gz ZVJDMVYEUOGHHL-UHFFFAOYSA-N 0 0 392.293 4.224 20 5 GIBDRN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000126813794 823958093 /nfs/dbraw/zinc/95/80/93/823958093.db2.gz HOBQZUMCHRRKSC-SNVBAGLBSA-N 0 0 394.349 4.292 20 5 GIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462397702 823959387 /nfs/dbraw/zinc/95/93/87/823959387.db2.gz RIDYKPPUFJLKJK-IOASZLSFSA-N 0 0 394.880 4.203 20 5 GIBDRN O=C(N[C@H]1CCCCC12CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000462403684 823961296 /nfs/dbraw/zinc/96/12/96/823961296.db2.gz ZMUYABYGJXBAHI-FQEVSTJZSA-N 0 0 385.508 4.430 20 5 GIBDRN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000462411845 823964824 /nfs/dbraw/zinc/96/48/24/823964824.db2.gz FGKFEFGPVBCEBX-ZFWWWQNUSA-N 0 0 394.880 4.063 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000462417219 823966951 /nfs/dbraw/zinc/96/69/51/823966951.db2.gz MPIJWWJXIGVEFX-QAPCUYQASA-N 0 0 398.459 4.030 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1 ZINC000462425489 823970320 /nfs/dbraw/zinc/97/03/20/823970320.db2.gz HYEULBCWHUZIBV-HNNXBMFYSA-N 0 0 391.265 4.242 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(NC(C)=O)cccc21 ZINC000462431757 823972825 /nfs/dbraw/zinc/97/28/25/823972825.db2.gz YTIQZQJRRISZDT-QGZVFWFLSA-N 0 0 395.459 4.101 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000462436951 823974989 /nfs/dbraw/zinc/97/49/89/823974989.db2.gz MPVCDUUGPJXLMZ-KRWDZBQOSA-N 0 0 396.422 4.186 20 5 GIBDRN COc1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)ccc1[N+](=O)[O-] ZINC000170803653 823975622 /nfs/dbraw/zinc/97/56/22/823975622.db2.gz VVZXQOPHRJDDKK-UHFFFAOYSA-N 0 0 390.808 4.028 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000462441278 823976563 /nfs/dbraw/zinc/97/65/63/823976563.db2.gz WBVYMUXARHSDDM-UWJYYQICSA-N 0 0 398.459 4.360 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(Cl)c(C)c2)cc1SC ZINC000462442829 823976900 /nfs/dbraw/zinc/97/69/00/823976900.db2.gz BQQCGNKTZNSGJE-UHFFFAOYSA-N 0 0 394.880 4.260 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000170817067 823978751 /nfs/dbraw/zinc/97/87/51/823978751.db2.gz NLSKHAAOMGTRBC-HXUWFJFHSA-N 0 0 379.416 4.114 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)s1 ZINC000192451901 823997457 /nfs/dbraw/zinc/99/74/57/823997457.db2.gz QNIARTCAQSLSJS-LLVKDONJSA-N 0 0 378.212 4.075 20 5 GIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575856532 824013428 /nfs/dbraw/zinc/01/34/28/824013428.db2.gz BBISYPFHRAGRJP-HXUWFJFHSA-N 0 0 381.432 4.237 20 5 GIBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000192525441 824020203 /nfs/dbraw/zinc/02/02/03/824020203.db2.gz 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O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000171054096 824049219 /nfs/dbraw/zinc/04/92/19/824049219.db2.gz HTFBSUDATDFXAL-IRXDYDNUSA-N 0 0 375.812 4.290 20 5 GIBDRN COc1cc(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000576020198 824050923 /nfs/dbraw/zinc/05/09/23/824050923.db2.gz PZSKRVBNIFUZLT-UHFFFAOYSA-N 0 0 394.830 4.032 20 5 GIBDRN Cc1cc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2c2ccccc12 ZINC000007982235 212103023 /nfs/dbraw/zinc/10/30/23/212103023.db2.gz SARSQBDEBWTSSF-UHFFFAOYSA-N 0 0 381.373 4.159 20 5 GIBDRN Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2cccc(F)c12 ZINC000007370423 220994922 /nfs/dbraw/zinc/99/49/22/220994922.db2.gz AQYDYEZATVROJY-UHFFFAOYSA-N 0 0 399.447 4.219 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)c1 ZINC000007160033 220988293 /nfs/dbraw/zinc/98/82/93/220988293.db2.gz CJLVYHVZHLWYHJ-UHFFFAOYSA-N 0 0 399.428 4.420 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000011175937 221112054 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GIBDRN CCOc1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000055806163 823046869 /nfs/dbraw/zinc/04/68/69/823046869.db2.gz JCRWGUDHSIBVEQ-UHFFFAOYSA-N 0 0 390.461 4.182 20 5 GIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187362963 823049889 /nfs/dbraw/zinc/04/98/89/823049889.db2.gz ZZSRBXGFDRJCFN-UHFFFAOYSA-N 0 0 388.851 4.365 20 5 GIBDRN Cc1csc([C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)n1 ZINC000175831647 823050168 /nfs/dbraw/zinc/05/01/68/823050168.db2.gz VAANFTHSPNGUOC-KRWDZBQOSA-N 0 0 388.493 4.431 20 5 GIBDRN CC[C@H](NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000458517387 823050236 /nfs/dbraw/zinc/05/02/36/823050236.db2.gz SSWZWLDUYSOJDE-QYZOEREBSA-N 0 0 387.480 4.037 20 5 GIBDRN COc1ccc(COCCCc2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000570551010 823052884 /nfs/dbraw/zinc/05/28/84/823052884.db2.gz MSYYFFSTRNZPNH-HNNXBMFYSA-N 0 0 397.431 4.288 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1cccc(F)c1 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COc1ccc(/C=C/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000056287710 823121529 /nfs/dbraw/zinc/12/15/29/823121529.db2.gz QTSOZPVMMMRKMA-XYOKQWHBSA-N 0 0 384.432 4.062 20 5 GIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000176112716 823124213 /nfs/dbraw/zinc/12/42/13/823124213.db2.gz LWOUEVYSJSIKRO-KBPBESRZSA-N 0 0 387.299 4.151 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3Cc4ccccc4C4(CC4)C3)n2C2CC2)cc1 ZINC000571053139 823125637 /nfs/dbraw/zinc/12/56/37/823125637.db2.gz KJLUURTYXGQRLF-UHFFFAOYSA-N 0 0 387.443 4.240 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000571063032 823126661 /nfs/dbraw/zinc/12/66/61/823126661.db2.gz NQTYIHZQUPCAOM-YJYMSZOUSA-N 0 0 392.814 4.113 20 5 GIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121147471 823127120 /nfs/dbraw/zinc/12/71/20/823127120.db2.gz BOXDZQGTMYJTKV-AWEZNQCLSA-N 0 0 395.415 4.082 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000176127619 823130095 /nfs/dbraw/zinc/13/00/95/823130095.db2.gz FQFAWWIIINIWSL-HNNXBMFYSA-N 0 0 399.205 4.254 20 5 GIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccnc1C(F)(F)F ZINC000571084424 823129580 /nfs/dbraw/zinc/12/95/80/823129580.db2.gz ORVHBUBAZSKWNL-UHFFFAOYSA-N 0 0 388.733 4.026 20 5 GIBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1 ZINC000571085870 823129752 /nfs/dbraw/zinc/12/97/52/823129752.db2.gz RLEZIWRLEBXEFE-UHFFFAOYSA-N 0 0 399.313 4.116 20 5 GIBDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056354280 823135331 /nfs/dbraw/zinc/13/53/31/823135331.db2.gz XGGCKESFAHQQPP-UHFFFAOYSA-N 0 0 397.410 4.221 20 5 GIBDRN CC(C)c1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000187790087 823133405 /nfs/dbraw/zinc/13/34/05/823133405.db2.gz WDGINZJBVHMALW-GOSISDBHSA-N 0 0 382.460 4.397 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176142475 823134468 /nfs/dbraw/zinc/13/44/68/823134468.db2.gz OPRWXGOOJAGOLF-NSHDSACASA-N 0 0 382.445 4.100 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187832768 823142216 /nfs/dbraw/zinc/14/22/16/823142216.db2.gz MCBGVIQPAQMFTO-UHFFFAOYSA-N 0 0 378.350 4.304 20 5 GIBDRN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000571178751 823144465 /nfs/dbraw/zinc/14/44/65/823144465.db2.gz OKIOLDSPCSXXOJ-LSDHHAIUSA-N 0 0 393.212 4.207 20 5 GIBDRN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000571143827 823140401 /nfs/dbraw/zinc/14/04/01/823140401.db2.gz STZGFQDPAVJKOZ-UWVGGRQHSA-N 0 0 383.267 4.400 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccc(F)cc4Cl)C3)nc2c1 ZINC000187867360 823149336 /nfs/dbraw/zinc/14/93/36/823149336.db2.gz WNKCPCLTJRBGNJ-QGZVFWFLSA-N 0 0 391.786 4.102 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000121267693 823151752 /nfs/dbraw/zinc/15/17/52/823151752.db2.gz KRDQFQGBNNBQLU-HNNXBMFYSA-N 0 0 378.860 4.047 20 5 GIBDRN CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000571239114 823153659 /nfs/dbraw/zinc/15/36/59/823153659.db2.gz DIGYAXNACXNVSK-HNNXBMFYSA-N 0 0 398.868 4.029 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000176214094 823154351 /nfs/dbraw/zinc/15/43/51/823154351.db2.gz UGNAYHDIBKWIKV-UHFFFAOYSA-N 0 0 387.411 4.178 20 5 GIBDRN C[C@@H](c1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000056493816 823159431 /nfs/dbraw/zinc/15/94/31/823159431.db2.gz YSXJZLWYDZBXCJ-HNNXBMFYSA-N 0 0 395.484 4.329 20 5 GIBDRN CC(C)(C)c1cn2c(n1)CC[C@@H](N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289583 823160665 /nfs/dbraw/zinc/16/06/65/823160665.db2.gz DVJPDTPMXNLBKS-CXAGYDPISA-N 0 0 396.413 4.297 20 5 GIBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(OCc2ccccc2)cc1 ZINC000187935755 823160739 /nfs/dbraw/zinc/16/07/39/823160739.db2.gz QENCJFFBLFBIJS-UHFFFAOYSA-N 0 0 377.400 4.033 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000176254224 823163876 /nfs/dbraw/zinc/16/38/76/823163876.db2.gz TVECZRYMEPSQLC-LESCRADOSA-N 0 0 377.485 4.105 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000121332102 823164693 /nfs/dbraw/zinc/16/46/93/823164693.db2.gz PMZBDEFKFDZNNT-UHFFFAOYSA-N 0 0 382.420 4.058 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ccsc2)CC1 ZINC000188007157 823170946 /nfs/dbraw/zinc/17/09/46/823170946.db2.gz BMJFFYDTHLOMJM-UHFFFAOYSA-N 0 0 395.278 4.439 20 5 GIBDRN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000121463884 823189198 /nfs/dbraw/zinc/18/91/98/823189198.db2.gz IEINCWHFZNWQKZ-FXAWDEMLSA-N 0 0 381.432 4.026 20 5 GIBDRN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000056655202 823190875 /nfs/dbraw/zinc/19/08/75/823190875.db2.gz AYRZRXYCGCTUQW-UHFFFAOYSA-N 0 0 391.339 4.074 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000056726771 823200984 /nfs/dbraw/zinc/20/09/84/823200984.db2.gz 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CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCOc1cccc(Cl)c1Cl ZINC000056909104 823231207 /nfs/dbraw/zinc/23/12/07/823231207.db2.gz GASPUKIXBIQZSS-UHFFFAOYSA-N 0 0 398.246 4.122 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CC(F)(F)F)C1CCCC1 ZINC000176537518 823232001 /nfs/dbraw/zinc/23/20/01/823232001.db2.gz NMGDEENARJHAGF-UHFFFAOYSA-N 0 0 395.175 4.304 20 5 GIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571767405 823232002 /nfs/dbraw/zinc/23/20/02/823232002.db2.gz HXDDUBAVWAMBSL-UHFFFAOYSA-N 0 0 382.203 4.328 20 5 GIBDRN O=c1ccccn1C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccccc1 ZINC000409523055 823240443 /nfs/dbraw/zinc/24/04/43/823240443.db2.gz UAFLAMCAJWOODX-IBGZPJMESA-N 0 0 386.411 4.158 20 5 GIBDRN Cc1c(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)cccc1[N+](=O)[O-] ZINC000571841152 823243295 /nfs/dbraw/zinc/24/32/95/823243295.db2.gz RAKNQIYYRCJRJE-UHFFFAOYSA-N 0 0 392.415 4.153 20 5 GIBDRN CN(Cc1csc(Br)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000057079419 823247475 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Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015616755 818348456 /nfs/dbraw/zinc/34/84/56/818348456.db2.gz DGRQUWDMDIDXIH-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000015640477 818352141 /nfs/dbraw/zinc/35/21/41/818352141.db2.gz IEACZYHTQHVAPA-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000015648824 818354595 /nfs/dbraw/zinc/35/45/95/818354595.db2.gz ZPAOHSHALQJSEH-CQSZACIVSA-N 0 0 399.447 4.334 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000015651440 818355416 /nfs/dbraw/zinc/35/54/16/818355416.db2.gz XRLCVVMKZSWBGI-LBPRGKRZSA-N 0 0 383.429 4.271 20 5 GIBDRN Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000015737833 818365347 /nfs/dbraw/zinc/36/53/47/818365347.db2.gz XHCZPTXIZWJLER-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015797119 818368580 /nfs/dbraw/zinc/36/85/80/818368580.db2.gz FVSCRVRYFXPIRL-JQWIXIFHSA-N 0 0 376.400 4.401 20 5 GIBDRN O=C(CCc1ccc(-c2ccccc2F)o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000015824149 818373405 /nfs/dbraw/zinc/37/34/05/818373405.db2.gz WYOFYEAWNGKRRM-UHFFFAOYSA-N 0 0 397.406 4.155 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000176950929 823332771 /nfs/dbraw/zinc/33/27/71/823332771.db2.gz HPHUKHUAKXXOAM-UHFFFAOYSA-N 0 0 396.321 4.129 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCc2cc(Cl)cc(F)c21 ZINC000572399369 823332850 /nfs/dbraw/zinc/33/28/50/823332850.db2.gz GJFIXSIZAAAKDG-UHFFFAOYSA-N 0 0 384.741 4.187 20 5 GIBDRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015977004 818380310 /nfs/dbraw/zinc/38/03/10/818380310.db2.gz MCGMVBUCYSDAFU-UHFFFAOYSA-N 0 0 393.365 4.144 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(SC(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000016018929 818385633 /nfs/dbraw/zinc/38/56/33/818385633.db2.gz QXZURCQRLOMHDQ-UHFFFAOYSA-N 0 0 396.371 4.339 20 5 GIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000016136079 818396579 /nfs/dbraw/zinc/39/65/79/818396579.db2.gz NTXAMNMVYCOMMX-SFHVURJKSA-N 0 0 384.432 4.024 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000057794947 823333983 /nfs/dbraw/zinc/33/39/83/823333983.db2.gz CSHNANVOHTYDMR-KRWDZBQOSA-N 0 0 384.461 4.320 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000188957266 823334106 /nfs/dbraw/zinc/33/41/06/823334106.db2.gz FCIMMJRFSRCLML-OAHLLOKOSA-N 0 0 384.432 4.175 20 5 GIBDRN O=[N+]([O-])c1cccc(CSc2nnc(NCc3ccc(F)cc3)s2)c1 ZINC000016334387 818425177 /nfs/dbraw/zinc/42/51/77/818425177.db2.gz DUOSTSAWEVKXTR-UHFFFAOYSA-N 0 0 376.438 4.490 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000409884580 823335778 /nfs/dbraw/zinc/33/57/78/823335778.db2.gz FVCNZRJNWKGSCN-NSHDSACASA-N 0 0 383.326 4.419 20 5 GIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc2ccccc2nc1Cl ZINC000057814468 823335944 /nfs/dbraw/zinc/33/59/44/823335944.db2.gz PEBQASJNBXBQRY-UHFFFAOYSA-N 0 0 392.802 4.068 20 5 GIBDRN Cc1nc(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c(C)s1 ZINC000188970684 823336040 /nfs/dbraw/zinc/33/60/40/823336040.db2.gz WQPBFWRUUGGITJ-UHFFFAOYSA-N 0 0 397.456 4.428 20 5 GIBDRN CC(C)OCc1c2ccccc2oc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000016498471 818449794 /nfs/dbraw/zinc/44/97/94/818449794.db2.gz PCWFQVCQRARJFS-UHFFFAOYSA-N 0 0 397.431 4.108 20 5 GIBDRN C[C@@H](Sc1ccccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016549060 818453798 /nfs/dbraw/zinc/45/37/98/818453798.db2.gz VMAZHIHDPRJVBO-SNVBAGLBSA-N 0 0 381.251 4.477 20 5 GIBDRN O=C(CSC1=Nc2ccccc2CS1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016547471 818453846 /nfs/dbraw/zinc/45/38/46/818453846.db2.gz BHGPCGTUGFZZPG-UHFFFAOYSA-N 0 0 385.470 4.152 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cccc(Cl)c1 ZINC000016632262 818461375 /nfs/dbraw/zinc/46/13/75/818461375.db2.gz VWNJWBXZTCWDLX-NSHDSACASA-N 0 0 382.247 4.361 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)Oc3ccc(C)cc3[N+](=O)[O-])c2)cs1 ZINC000016707771 818466993 /nfs/dbraw/zinc/46/69/93/818466993.db2.gz QNUAFCQWTDTIGG-UHFFFAOYSA-N 0 0 384.413 4.466 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC ZINC000460294792 823343222 /nfs/dbraw/zinc/34/32/22/823343222.db2.gz CFLLGJPZDYFEQC-MRXNPFEDSA-N 0 0 383.477 4.449 20 5 GIBDRN CC1(C)CCCc2sc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)nc21 ZINC000572448307 823341308 /nfs/dbraw/zinc/34/13/08/823341308.db2.gz YQVUZHXPOUYEPQ-UHFFFAOYSA-N 0 0 386.477 4.255 20 5 GIBDRN COc1ccc(C)cc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000017342069 818511457 /nfs/dbraw/zinc/51/14/57/818511457.db2.gz XNUWMMWCKKRETC-UHFFFAOYSA-N 0 0 383.429 4.217 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000460289423 823341565 /nfs/dbraw/zinc/34/15/65/823341565.db2.gz MYFDCJHJTMBFBF-RISCZKNCSA-N 0 0 383.374 4.040 20 5 GIBDRN CCOCCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000017400979 818514033 /nfs/dbraw/zinc/51/40/33/818514033.db2.gz AYQOETUQZOLXQU-UHFFFAOYSA-N 0 0 391.855 4.017 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc([N+](=O)[O-])c1 ZINC000017590497 818520871 /nfs/dbraw/zinc/52/08/71/818520871.db2.gz WSIZJSXMETTXAL-UHFFFAOYSA-N 0 0 397.412 4.147 20 5 GIBDRN COCc1c(C(=O)OCc2ccccc2[N+](=O)[O-])sc2cccc(F)c21 ZINC000017937600 818534424 /nfs/dbraw/zinc/53/44/24/818534424.db2.gz KLCRJLDIVNNRNQ-UHFFFAOYSA-N 0 0 375.377 4.452 20 5 GIBDRN Cc1cccc(C(C)C)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000018079213 818543695 /nfs/dbraw/zinc/54/36/95/818543695.db2.gz LFSXFCCHEVWPRP-UHFFFAOYSA-N 0 0 397.431 4.353 20 5 GIBDRN CC(C)(C)c1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000018078618 818543725 /nfs/dbraw/zinc/54/37/25/818543725.db2.gz SMUZRURNCSLYKD-UHFFFAOYSA-N 0 0 397.431 4.219 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccsc3)no2)cc1[N+](=O)[O-] ZINC000018456779 818568891 /nfs/dbraw/zinc/56/88/91/818568891.db2.gz WNRQZXFTANATJP-UHFFFAOYSA-N 0 0 387.417 4.361 20 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823353341 /nfs/dbraw/zinc/35/33/41/823353341.db2.gz CLZJTYYNOJFYEV-LJQANCHMSA-N 0 0 399.447 4.209 20 5 GIBDRN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000021000830 818646392 /nfs/dbraw/zinc/64/63/92/818646392.db2.gz YVVQYACLTWHMQF-DHZHZOJOSA-N 0 0 393.424 4.074 20 5 GIBDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000021119928 818655512 /nfs/dbraw/zinc/65/55/12/818655512.db2.gz QDXGAHRXOMDIPV-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c(F)cccc1F ZINC000057960976 823350814 /nfs/dbraw/zinc/35/08/14/823350814.db2.gz LGUVSJRJOOJOKB-UHFFFAOYSA-N 0 0 389.280 4.333 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccccc1SC(F)F ZINC000021552265 818702974 /nfs/dbraw/zinc/70/29/74/818702974.db2.gz WYRYKLANELRCEQ-UHFFFAOYSA-N 0 0 396.371 4.013 20 5 GIBDRN COc1cc(OC)c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000021556024 818703461 /nfs/dbraw/zinc/70/34/61/818703461.db2.gz OTCLBQUABJWYTJ-UHFFFAOYSA-N 0 0 393.827 4.096 20 5 GIBDRN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000021669615 818723079 /nfs/dbraw/zinc/72/30/79/818723079.db2.gz OXOXBENEFJPLBK-SJCJKPOMSA-N 0 0 398.444 4.089 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(C)cc([N+](=O)[O-])c4)CC3)c2c1 ZINC000122477156 823359977 /nfs/dbraw/zinc/35/99/77/823359977.db2.gz ZPCJETMTKRLNJD-UHFFFAOYSA-N 0 0 391.427 4.323 20 5 GIBDRN O=C(CSc1cccc(C(F)(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000021957703 818759051 /nfs/dbraw/zinc/75/90/51/818759051.db2.gz ZFLWYVPPOFQKPV-UHFFFAOYSA-N 0 0 382.363 4.295 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)COc3ccc(C)cc3[N+](=O)[O-])c2)cs1 ZINC000022052570 818767317 /nfs/dbraw/zinc/76/73/17/818767317.db2.gz BCABDYATUJADFI-UHFFFAOYSA-N 0 0 383.429 4.353 20 5 GIBDRN CC(C)Oc1ncccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122490458 823362378 /nfs/dbraw/zinc/36/23/78/823362378.db2.gz YMFJRVICUWDSNP-UHFFFAOYSA-N 0 0 384.417 4.153 20 5 GIBDRN COc1cc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc([N+](=O)[O-])c1C ZINC000189133851 823362564 /nfs/dbraw/zinc/36/25/64/823362564.db2.gz WSOASHNFZWZKFU-UHFFFAOYSA-N 0 0 381.388 4.436 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000409985675 823363003 /nfs/dbraw/zinc/36/30/03/823363003.db2.gz OIIHVSVVQLFOOX-UHFFFAOYSA-N 0 0 395.440 4.398 20 5 GIBDRN COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000022256417 818787129 /nfs/dbraw/zinc/78/71/29/818787129.db2.gz FRDUIYFYMYUBQO-LBPRGKRZSA-N 0 0 388.445 4.143 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000177084340 823367081 /nfs/dbraw/zinc/36/70/81/823367081.db2.gz SXSNRTKUXXWOPQ-IBGZPJMESA-N 0 0 389.427 4.266 20 5 GIBDRN Cc1cc(Cl)ccc1OCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460362422 823364156 /nfs/dbraw/zinc/36/41/56/823364156.db2.gz YDTFVAPOHLMRIH-GOSISDBHSA-N 0 0 392.864 4.210 20 5 GIBDRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000409992290 823364705 /nfs/dbraw/zinc/36/47/05/823364705.db2.gz KHPKUKBMHJWJRB-UHFFFAOYSA-N 0 0 395.440 4.019 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122511074 823365076 /nfs/dbraw/zinc/36/50/76/823365076.db2.gz UGOPAVCOZJSIIB-LBPRGKRZSA-N 0 0 380.853 4.241 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000022468076 818810988 /nfs/dbraw/zinc/81/09/88/818810988.db2.gz UEDPXDDJQSLQJZ-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000022471217 818811534 /nfs/dbraw/zinc/81/15/34/818811534.db2.gz KBLCTKYEBZTSSV-GJZGRUSLSA-N 0 0 392.411 4.171 20 5 GIBDRN CCCCSc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000022490003 818816055 /nfs/dbraw/zinc/81/60/55/818816055.db2.gz WQFTXAKGBHSSKQ-UHFFFAOYSA-N 0 0 398.535 4.378 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(C)c(Cl)cc1OC ZINC000022501971 818818654 /nfs/dbraw/zinc/81/86/54/818818654.db2.gz RFOBSYGMVMSDCK-LLVKDONJSA-N 0 0 393.827 4.013 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000022501335 818818772 /nfs/dbraw/zinc/81/87/72/818818772.db2.gz PZZZOCWAZHIIBW-HUUCEWRRSA-N 0 0 392.411 4.171 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000022547212 818823596 /nfs/dbraw/zinc/82/35/96/818823596.db2.gz GGUXRTOFVSKTID-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN CC(C)N(C(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)C ZINC000022644179 818836789 /nfs/dbraw/zinc/83/67/89/818836789.db2.gz DJTJNKAOCGHDCH-GFCCVEGCSA-N 0 0 378.450 4.000 20 5 GIBDRN CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000022792122 818861243 /nfs/dbraw/zinc/86/12/43/818861243.db2.gz RJQARNDYLJLWIJ-SNVBAGLBSA-N 0 0 394.836 4.154 20 5 GIBDRN COc1cccc(Nc2nnc(Sc3ccc(F)cc3[N+](=O)[O-])s2)c1 ZINC000022807370 818863145 /nfs/dbraw/zinc/86/31/45/818863145.db2.gz WFRALBIXOKTZCE-UHFFFAOYSA-N 0 0 378.410 4.489 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000022905332 818874089 /nfs/dbraw/zinc/87/40/89/818874089.db2.gz AKANTLFRLCEFMU-AWEZNQCLSA-N 0 0 378.384 4.240 20 5 GIBDRN CCOc1ccc2[nH]c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 ZINC000023039062 818890222 /nfs/dbraw/zinc/89/02/22/818890222.db2.gz RRFLJIARYZKZAW-UHFFFAOYSA-N 0 0 397.416 4.212 20 5 GIBDRN CC(C)OCc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023102221 818897918 /nfs/dbraw/zinc/89/79/18/818897918.db2.gz VFUNPXWYAYLZDF-UHFFFAOYSA-N 0 0 397.475 4.050 20 5 GIBDRN COc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000023116617 818899869 /nfs/dbraw/zinc/89/98/69/818899869.db2.gz BWUJOGJMWUJEPO-SNVBAGLBSA-N 0 0 396.852 4.385 20 5 GIBDRN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000460387149 823372417 /nfs/dbraw/zinc/37/24/17/823372417.db2.gz MPGFFSSETJFIHH-AUUYWEPGSA-N 0 0 388.851 4.088 20 5 GIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023293020 818921354 /nfs/dbraw/zinc/92/13/54/818921354.db2.gz BULHMUCXMFTBLF-UHFFFAOYSA-N 0 0 398.444 4.448 20 5 GIBDRN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000410029989 823374365 /nfs/dbraw/zinc/37/43/65/823374365.db2.gz MFGAJYUIUAFXRA-UHFFFAOYSA-N 0 0 398.375 4.175 20 5 GIBDRN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023386841 818931629 /nfs/dbraw/zinc/93/16/29/818931629.db2.gz JFEAIIGXBHMCNS-GJZGRUSLSA-N 0 0 399.413 4.049 20 5 GIBDRN C/C(=C\C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000177120931 823376066 /nfs/dbraw/zinc/37/60/66/823376066.db2.gz QFEVKKJZCBMFKL-ACCUITESSA-N 0 0 376.359 4.258 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000023601539 818962629 /nfs/dbraw/zinc/96/26/29/818962629.db2.gz OMWMDPUACWQBSF-GFCCVEGCSA-N 0 0 396.415 4.335 20 5 GIBDRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2N2CCCCC2)cc1 ZINC000023614390 818965231 /nfs/dbraw/zinc/96/52/31/818965231.db2.gz VJZAHCMZPCGCLX-UHFFFAOYSA-N 0 0 396.476 4.020 20 5 GIBDRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122595106 823378808 /nfs/dbraw/zinc/37/88/08/823378808.db2.gz DRJWVAPXLSTKBQ-INIZCTEOSA-N 0 0 390.871 4.386 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000410043479 823378153 /nfs/dbraw/zinc/37/81/53/823378153.db2.gz RQETUSHSKOTRAO-QFIPXVFZSA-N 0 0 388.423 4.439 20 5 GIBDRN Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)coc2c1 ZINC000023975518 819000482 /nfs/dbraw/zinc/00/04/82/819000482.db2.gz MTIVIDCXCZDAQC-CQSZACIVSA-N 0 0 396.399 4.071 20 5 GIBDRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000024049514 819016450 /nfs/dbraw/zinc/01/64/50/819016450.db2.gz GJQYHGIHQXSJJE-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC(C(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000572675029 823380206 /nfs/dbraw/zinc/38/02/06/823380206.db2.gz CPIUIESIEQRNLC-AVJIGQEQSA-N 0 0 399.413 4.148 20 5 GIBDRN CN1c2ccccc2C(=O)N[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000024098594 819023328 /nfs/dbraw/zinc/02/33/28/819023328.db2.gz LXILZRXKWAEDIX-HXUWFJFHSA-N 0 0 393.374 4.405 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000024190930 819031633 /nfs/dbraw/zinc/03/16/33/819031633.db2.gz NXKSUXGSNMSOGX-MRXNPFEDSA-N 0 0 399.516 4.334 20 5 GIBDRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024231571 819038291 /nfs/dbraw/zinc/03/82/91/819038291.db2.gz MTFPJOCMZUMXME-QXAKKESOSA-N 0 0 385.508 4.286 20 5 GIBDRN CN(Cc1nc2ccccc2s1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000024315275 819045143 /nfs/dbraw/zinc/04/51/43/819045143.db2.gz YLGNDTRHSMPFJC-UHFFFAOYSA-N 0 0 384.461 4.055 20 5 GIBDRN CCCCc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000024360125 819050486 /nfs/dbraw/zinc/05/04/86/819050486.db2.gz LIZGBYSVSONMPS-UHFFFAOYSA-N 0 0 379.420 4.079 20 5 GIBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC(C(C)(C)C)CC1 ZINC000410061818 823382694 /nfs/dbraw/zinc/38/26/94/823382694.db2.gz IABIDWDKOJAGSI-UHFFFAOYSA-N 0 0 384.480 4.457 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122618994 823382796 /nfs/dbraw/zinc/38/27/96/823382796.db2.gz DVKNDJGWIFLBHT-MRXNPFEDSA-N 0 0 388.851 4.108 20 5 GIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000024473449 819061989 /nfs/dbraw/zinc/06/19/89/819061989.db2.gz NLQUQOGBBHALLD-UHFFFAOYSA-N 0 0 382.445 4.188 20 5 GIBDRN CSc1ccc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000460432298 823387483 /nfs/dbraw/zinc/38/74/83/823387483.db2.gz BSUUTOQGMFRFLC-NSHDSACASA-N 0 0 380.853 4.167 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2SCC(F)F)c1 ZINC000122649994 823387942 /nfs/dbraw/zinc/38/79/42/823387942.db2.gz MBODBPLABQFZIX-UHFFFAOYSA-N 0 0 386.351 4.352 20 5 GIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)[C@H]1c1ccccc1 ZINC000572729529 823389869 /nfs/dbraw/zinc/38/98/69/823389869.db2.gz CCTMCNROJXCYGZ-AUUYWEPGSA-N 0 0 375.432 4.386 20 5 GIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(/C=C\c2cc(F)c(F)c(F)c2)n1 ZINC000572761365 823394291 /nfs/dbraw/zinc/39/42/91/823394291.db2.gz KXZOVFVGHHFFNQ-WAYWQWQTSA-N 0 0 390.321 4.220 20 5 GIBDRN CCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1OCC ZINC000122688893 823395247 /nfs/dbraw/zinc/39/52/47/823395247.db2.gz USNBCDPJGZGIBG-UHFFFAOYSA-N 0 0 399.325 4.058 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000572773353 823396401 /nfs/dbraw/zinc/39/64/01/823396401.db2.gz MJOAMNZJZGTTMY-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CC[C@H](C)[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000122701462 823397414 /nfs/dbraw/zinc/39/74/14/823397414.db2.gz ZQLDNBQYLDOGCZ-VBKZILBWSA-N 0 0 380.448 4.307 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c(C)n1 ZINC000460461747 823397743 /nfs/dbraw/zinc/39/77/43/823397743.db2.gz ZNGDGOLJLALCMW-UHFFFAOYSA-N 0 0 384.617 4.275 20 5 GIBDRN Cc1cc(C)cc(CN(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000572810321 823403597 /nfs/dbraw/zinc/40/35/97/823403597.db2.gz PUXDIKNOPAFHTB-UHFFFAOYSA-N 0 0 380.448 4.077 20 5 GIBDRN O=C(NCc1cccc(Oc2ccccc2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000410139553 823400013 /nfs/dbraw/zinc/40/00/13/823400013.db2.gz LMLSCTCJPVEIOD-UHFFFAOYSA-N 0 0 377.400 4.387 20 5 GIBDRN O=C(Nc1cccc(Cl)c1-n1cccn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058496002 823400009 /nfs/dbraw/zinc/40/00/09/823400009.db2.gz LUYHGFYXAFXALC-UHFFFAOYSA-N 0 0 381.779 4.168 20 5 GIBDRN O=C(NCc1ccc(COc2ccccc2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000410150150 823402452 /nfs/dbraw/zinc/40/24/52/823402452.db2.gz ARVFIOJLECNDKJ-UHFFFAOYSA-N 0 0 391.427 4.173 20 5 GIBDRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000058520154 823403187 /nfs/dbraw/zinc/40/31/87/823403187.db2.gz BFEHPLULVOQKGG-UHFFFAOYSA-N 0 0 397.818 4.425 20 5 GIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCCc3ccccc3[N+](=O)[O-])c21 ZINC000460498188 823408553 /nfs/dbraw/zinc/40/85/53/823408553.db2.gz OUVVAVNAQFTYRG-UHFFFAOYSA-N 0 0 394.431 4.104 20 5 GIBDRN CC[C@@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000460487405 823405356 /nfs/dbraw/zinc/40/53/56/823405356.db2.gz BGJHCPBAECNRNT-GOSISDBHSA-N 0 0 383.448 4.429 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000460489848 823406101 /nfs/dbraw/zinc/40/61/01/823406101.db2.gz POCUSEOQRGMVTM-ZIAGYGMSSA-N 0 0 379.243 4.364 20 5 GIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000177238183 823407426 /nfs/dbraw/zinc/40/74/26/823407426.db2.gz YRPVFFXQEOLXLG-UHFFFAOYSA-N 0 0 391.431 4.236 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H](Oc1ccccc1)c1ccccc1 ZINC000460505412 823411081 /nfs/dbraw/zinc/41/10/81/823411081.db2.gz WSRMYKRIGQNKMF-OAQYLSRUSA-N 0 0 376.412 4.074 20 5 GIBDRN CC(C)[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000177257018 823411433 /nfs/dbraw/zinc/41/14/33/823411433.db2.gz SRVWFUHRCBAEQP-SFHVURJKSA-N 0 0 377.391 4.412 20 5 GIBDRN Cc1ccc(-c2noc(-c3ccc(-c4cncnc4)cc3F)n2)cc1[N+](=O)[O-] ZINC000572881935 823413243 /nfs/dbraw/zinc/41/32/43/823413243.db2.gz DIHWSGKLOXSVKI-UHFFFAOYSA-N 0 0 377.335 4.216 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000460500313 823409355 /nfs/dbraw/zinc/40/93/55/823409355.db2.gz QKDFZXZAELMGEY-CABCVRRESA-N 0 0 378.350 4.076 20 5 GIBDRN COc1ccc2c(c1)N(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000460500812 823409550 /nfs/dbraw/zinc/40/95/50/823409550.db2.gz CKOUSUNWUYCRKU-CYBMUJFWSA-N 0 0 384.432 4.329 20 5 GIBDRN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058567188 823410381 /nfs/dbraw/zinc/41/03/81/823410381.db2.gz ZPUILWDCJMMVSD-UHFFFAOYSA-N 0 0 392.415 4.001 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000122805712 823415300 /nfs/dbraw/zinc/41/53/00/823415300.db2.gz XPYCYGKXBUXGAM-ZDUSSCGKSA-N 0 0 396.403 4.156 20 5 GIBDRN COc1cccc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000410199722 823417442 /nfs/dbraw/zinc/41/74/42/823417442.db2.gz BKKYEBPZVLQYOV-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN COc1cccc([C@H](C)CC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000177277566 823418542 /nfs/dbraw/zinc/41/85/42/823418542.db2.gz SGFTYPNALXWWCF-CQSZACIVSA-N 0 0 396.399 4.495 20 5 GIBDRN O=C(NCc1nccn1CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177278282 823418857 /nfs/dbraw/zinc/41/88/57/823418857.db2.gz VCQYOERATMUPNE-UHFFFAOYSA-N 0 0 399.838 4.009 20 5 GIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410212312 823421501 /nfs/dbraw/zinc/42/15/01/823421501.db2.gz YLCFLWLTDZXCGM-UHFFFAOYSA-N 0 0 380.778 4.488 20 5 GIBDRN C[C@@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000410219978 823423483 /nfs/dbraw/zinc/42/34/83/823423483.db2.gz YUHVWFKQPZWZLD-LBPRGKRZSA-N 0 0 377.238 4.281 20 5 GIBDRN Cc1ccc(CC[C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 ZINC000460526634 823419862 /nfs/dbraw/zinc/41/98/62/823419862.db2.gz VXGLQZARSCGOQZ-INIZCTEOSA-N 0 0 388.467 4.194 20 5 GIBDRN Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000460526364 823419943 /nfs/dbraw/zinc/41/99/43/823419943.db2.gz ZYAQVXDLBZNKEJ-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN CSc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000410236935 823429662 /nfs/dbraw/zinc/42/96/62/823429662.db2.gz QLONPSYVFZVSIE-ZDUSSCGKSA-N 0 0 397.456 4.121 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122866626 823425864 /nfs/dbraw/zinc/42/58/64/823425864.db2.gz DUXBITZFGSIDHD-KDOFPFPSSA-N 0 0 392.814 4.116 20 5 GIBDRN C[C@H]1C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C(=O)N1c1ccccc1 ZINC000460546329 823427052 /nfs/dbraw/zinc/42/70/52/823427052.db2.gz KKYGFJMTQPJLRD-AOMKIAJQSA-N 0 0 395.462 4.312 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000410229394 823427074 /nfs/dbraw/zinc/42/70/74/823427074.db2.gz NVTAUXUMGOFQQN-UHFFFAOYSA-N 0 0 397.406 4.186 20 5 GIBDRN CCOc1cccc2[nH]cc(CC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c21 ZINC000189492900 823429695 /nfs/dbraw/zinc/42/96/95/823429695.db2.gz LOMCFDMTCHDSRE-UHFFFAOYSA-N 0 0 393.443 4.209 20 5 GIBDRN O=C(c1ccccc1)c1ccc(NCc2cccnc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000024660593 819860751 /nfs/dbraw/zinc/86/07/51/819860751.db2.gz RFULXNBZHALDAD-UHFFFAOYSA-N 0 0 399.410 4.019 20 5 GIBDRN COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000573022443 823435011 /nfs/dbraw/zinc/43/50/11/823435011.db2.gz GTENFPIWCITEJL-OAHLLOKOSA-N 0 0 387.411 4.229 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000024827045 819881672 /nfs/dbraw/zinc/88/16/72/819881672.db2.gz MCNKOMTYKDBPKI-UHFFFAOYSA-N 0 0 390.321 4.360 20 5 GIBDRN CSc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000024866520 819886624 /nfs/dbraw/zinc/88/66/24/819886624.db2.gz OFHUWOQSLRBDTN-UHFFFAOYSA-N 0 0 386.351 4.145 20 5 GIBDRN COCCN(Cc1ccco1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000025095279 819927030 /nfs/dbraw/zinc/92/70/30/819927030.db2.gz VLHNHMULSCKOMU-UHFFFAOYSA-N 0 0 395.415 4.220 20 5 GIBDRN COc1cc(F)ccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000025310250 819960489 /nfs/dbraw/zinc/96/04/89/819960489.db2.gz CVNUDHKDXVSAGC-ZDUSSCGKSA-N 0 0 387.411 4.231 20 5 GIBDRN COc1cc(F)ccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000025310245 819960647 /nfs/dbraw/zinc/96/06/47/819960647.db2.gz CVNUDHKDXVSAGC-CYBMUJFWSA-N 0 0 387.411 4.231 20 5 GIBDRN COc1ccc(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000189548650 823441690 /nfs/dbraw/zinc/44/16/90/823441690.db2.gz BASGDKPSHFXIML-CQSZACIVSA-N 0 0 392.839 4.284 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025325842 819962603 /nfs/dbraw/zinc/96/26/03/819962603.db2.gz XRPBTLLXJCYPHF-LJQANCHMSA-N 0 0 397.450 4.314 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)Cc2c[nH]c3ccccc23)cc1OC ZINC000189554020 823442740 /nfs/dbraw/zinc/44/27/40/823442740.db2.gz JPDADAIFVKAIRW-UHFFFAOYSA-N 0 0 397.431 4.146 20 5 GIBDRN CSc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000025440501 819980816 /nfs/dbraw/zinc/98/08/16/819980816.db2.gz RYQYPUVYZQUFLV-UHFFFAOYSA-N 0 0 376.415 4.390 20 5 GIBDRN COc1ccc(Cl)cc1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000025456880 819984046 /nfs/dbraw/zinc/98/40/46/819984046.db2.gz OIAVADPHMPMTTQ-GFCCVEGCSA-N 0 0 394.880 4.396 20 5 GIBDRN COc1ccc(CN(C)c2ccc([N+](=O)[O-])c3cnccc32)cc1OC(F)F ZINC000025567600 820003798 /nfs/dbraw/zinc/00/37/98/820003798.db2.gz JMXWNHNYHIJGLF-UHFFFAOYSA-N 0 0 389.358 4.389 20 5 GIBDRN COc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000123005554 823447009 /nfs/dbraw/zinc/44/70/09/823447009.db2.gz CFLFKHUKHKXSDJ-UHFFFAOYSA-N 0 0 379.756 4.034 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026019266 820049939 /nfs/dbraw/zinc/04/99/39/820049939.db2.gz YTVFMXWYMNWVBX-CYBMUJFWSA-N 0 0 396.374 4.000 20 5 GIBDRN COCCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000026115594 820060035 /nfs/dbraw/zinc/06/00/35/820060035.db2.gz ZLYIATGRNQQPIZ-UHFFFAOYSA-N 0 0 388.489 4.491 20 5 GIBDRN CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3cnc([N+](=O)[O-])c3)n2)cc1 ZINC000026124069 820062296 /nfs/dbraw/zinc/06/22/96/820062296.db2.gz XFOVZZPCRMGFEE-GFCCVEGCSA-N 0 0 385.449 4.067 20 5 GIBDRN O=[N+]([O-])c1cc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1F ZINC000026158336 820064665 /nfs/dbraw/zinc/06/46/65/820064665.db2.gz FTKFROTUGIMPNE-UHFFFAOYSA-N 0 0 382.273 4.415 20 5 GIBDRN COC(=O)c1cc(C(=O)N[C@@H](C)c2cc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000410294971 823453489 /nfs/dbraw/zinc/45/34/89/823453489.db2.gz SHUWIFIKYHWMEZ-NSHDSACASA-N 0 0 384.413 4.087 20 5 GIBDRN C[C@H](OC(=O)c1cc2ccc(F)cc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026222271 820071207 /nfs/dbraw/zinc/07/12/07/820071207.db2.gz CEKKLFFLIFWVQV-JTQLQIEISA-N 0 0 388.376 4.133 20 5 GIBDRN O=C(Nc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1)C1CCCCC1 ZINC000058779284 823450371 /nfs/dbraw/zinc/45/03/71/823450371.db2.gz YUDSGXGDMANSHW-UHFFFAOYSA-N 0 0 393.443 4.317 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000026289141 820078450 /nfs/dbraw/zinc/07/84/50/820078450.db2.gz XIMCNEZVFYEYJK-UHFFFAOYSA-N 0 0 381.335 4.405 20 5 GIBDRN CCSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026509429 820106527 /nfs/dbraw/zinc/10/65/27/820106527.db2.gz GXUXENFUSSXYLT-ZDUSSCGKSA-N 0 0 388.445 4.199 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H](C1CC1)C(F)(F)F ZINC000123056128 823454543 /nfs/dbraw/zinc/45/45/43/823454543.db2.gz FVOMTZUAKZDITR-LJQANCHMSA-N 0 0 375.346 4.039 20 5 GIBDRN CC(C)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000026791835 820145089 /nfs/dbraw/zinc/14/50/89/820145089.db2.gz VSAWENIRYUJWNX-UHFFFAOYSA-N 0 0 383.404 4.431 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000026795031 820145969 /nfs/dbraw/zinc/14/59/69/820145969.db2.gz ITEFDQIAMWBFDM-UHFFFAOYSA-N 0 0 381.432 4.271 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000026799494 820147095 /nfs/dbraw/zinc/14/70/95/820147095.db2.gz TZUVSNXKZNEDSA-IBGZPJMESA-N 0 0 390.411 4.268 20 5 GIBDRN C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000026886343 820158597 /nfs/dbraw/zinc/15/85/97/820158597.db2.gz CENDSZLDOANOQI-HNNXBMFYSA-N 0 0 382.489 4.083 20 5 GIBDRN Cc1noc(C)c1CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000410306388 823458057 /nfs/dbraw/zinc/45/80/57/823458057.db2.gz VJZJXVQUESNMDC-UHFFFAOYSA-N 0 0 391.493 4.310 20 5 GIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000460627792 823460272 /nfs/dbraw/zinc/46/02/72/823460272.db2.gz IGNFDMKKSBYCHG-SWLSCSKDSA-N 0 0 397.401 4.286 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027267784 820217324 /nfs/dbraw/zinc/21/73/24/820217324.db2.gz WCJJEUCSTCGKMM-UHFFFAOYSA-N 0 0 398.463 4.410 20 5 GIBDRN Cc1ccccc1Cc1noc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000177450668 823465114 /nfs/dbraw/zinc/46/51/14/823465114.db2.gz XDLBQXBAHXCUIR-UHFFFAOYSA-N 0 0 390.346 4.091 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000123120721 823465437 /nfs/dbraw/zinc/46/54/37/823465437.db2.gz CNXFZZXJLCQRLE-INIZCTEOSA-N 0 0 387.440 4.093 20 5 GIBDRN O=C(CSc1nccn1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027485807 820251055 /nfs/dbraw/zinc/25/10/55/820251055.db2.gz QECWHWAAGFWFSM-UHFFFAOYSA-N 0 0 388.836 4.165 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000027659581 820271352 /nfs/dbraw/zinc/27/13/52/820271352.db2.gz QKJIWCWCPRACCJ-GFCCVEGCSA-N 0 0 398.444 4.113 20 5 GIBDRN Cc1cc(CSc2ncccc2C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000027912741 820296157 /nfs/dbraw/zinc/29/61/57/820296157.db2.gz KGCKPFAMPFRBAA-ZDUSSCGKSA-N 0 0 399.428 4.497 20 5 GIBDRN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000028253770 820320839 /nfs/dbraw/zinc/32/08/39/820320839.db2.gz ZZAYYELDPCJFSJ-UHFFFAOYSA-N 0 0 393.222 4.061 20 5 GIBDRN CCCC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028293407 820323063 /nfs/dbraw/zinc/32/30/63/820323063.db2.gz OFNQMVWJGBZDAK-QGZVFWFLSA-N 0 0 376.796 4.271 20 5 GIBDRN CC(C)=CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028302322 820323327 /nfs/dbraw/zinc/32/33/27/820323327.db2.gz YYNBOZADFDSNJZ-GOSISDBHSA-N 0 0 388.807 4.437 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1OC ZINC000460661772 823470101 /nfs/dbraw/zinc/47/01/01/823470101.db2.gz CHUVRUAYAXAVKO-RDJZCZTQSA-N 0 0 398.459 4.268 20 5 GIBDRN COc1ccccc1N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000058915964 823470061 /nfs/dbraw/zinc/47/00/61/823470061.db2.gz YLXGLWVMUKDZLE-UHFFFAOYSA-N 0 0 397.478 4.359 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000028424776 820335223 /nfs/dbraw/zinc/33/52/23/820335223.db2.gz IGMWLFDLHDEDOI-UONOGXRCSA-N 0 0 396.399 4.072 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000028423916 820335351 /nfs/dbraw/zinc/33/53/51/820335351.db2.gz PWXDTDHCYZFSLC-CYBMUJFWSA-N 0 0 390.823 4.357 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000028802221 820359690 /nfs/dbraw/zinc/35/96/90/820359690.db2.gz HCSCBYSBXGKYLN-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN O=C(COC(=O)CC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000028828107 820360740 /nfs/dbraw/zinc/36/07/40/820360740.db2.gz SVJUMYWCLJWZBP-UHFFFAOYSA-N 0 0 388.342 4.066 20 5 GIBDRN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000028842304 820362950 /nfs/dbraw/zinc/36/29/50/820362950.db2.gz CDMKDMKBZIYCED-UHFFFAOYSA-N 0 0 383.307 4.355 20 5 GIBDRN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000028872615 820365963 /nfs/dbraw/zinc/36/59/63/820365963.db2.gz ABRNFYGSAXRWQI-LLVKDONJSA-N 0 0 397.353 4.451 20 5 GIBDRN Cc1ccccc1[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000573295708 823477381 /nfs/dbraw/zinc/47/73/81/823477381.db2.gz GWZNTDPUZSMFKU-FQEVSTJZSA-N 0 0 383.448 4.205 20 5 GIBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1nccs1)c1ccccc1 ZINC000123187506 823475839 /nfs/dbraw/zinc/47/58/39/823475839.db2.gz BNFFNEZSTPNKAD-LIRRHRJNSA-N 0 0 396.472 4.148 20 5 GIBDRN CC(C)c1noc(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000029139932 820397898 /nfs/dbraw/zinc/39/78/98/820397898.db2.gz PYFJSSRSZYACNI-UHFFFAOYSA-N 0 0 396.403 4.070 20 5 GIBDRN Nc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000029222662 820413963 /nfs/dbraw/zinc/41/39/63/820413963.db2.gz OXBGBRSHBDRPGB-UHFFFAOYSA-N 0 0 391.387 4.073 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000058968281 823477104 /nfs/dbraw/zinc/47/71/04/823477104.db2.gz UEKNEZVVOMRMGR-UHFFFAOYSA-N 0 0 393.237 4.382 20 5 GIBDRN CCc1c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]c1-c1ccncc1 ZINC000189696701 823478029 /nfs/dbraw/zinc/47/80/29/823478029.db2.gz DVUVHVIJYAMVEM-UHFFFAOYSA-N 0 0 379.420 4.318 20 5 GIBDRN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029379695 820447033 /nfs/dbraw/zinc/44/70/33/820447033.db2.gz PKHGNTXOOVMFSJ-OAHLLOKOSA-N 0 0 376.416 4.357 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000123228675 823481587 /nfs/dbraw/zinc/48/15/87/823481587.db2.gz QGNXIMWAPLYKGG-YJBOKZPZSA-N 0 0 392.814 4.116 20 5 GIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC1CC1 ZINC000029564219 820476486 /nfs/dbraw/zinc/47/64/86/820476486.db2.gz ZRQBSOGKEAVGOK-KAMYIIQDSA-N 0 0 379.441 4.414 20 5 GIBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCC3CCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000029587415 820479848 /nfs/dbraw/zinc/47/98/48/820479848.db2.gz YEYUSFOJEASPQO-UHFFFAOYSA-N 0 0 389.477 4.224 20 5 GIBDRN CCn1c(SCc2nc(CC(C)C)no2)nc2cc3ccccc3cc2c1=O ZINC000029602745 820482504 /nfs/dbraw/zinc/48/25/04/820482504.db2.gz QTKTYWNZDCCHMW-UHFFFAOYSA-N 0 0 394.500 4.443 20 5 GIBDRN Cc1c(NC(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000189723519 823482449 /nfs/dbraw/zinc/48/24/49/823482449.db2.gz FCJXORAVRHHJNN-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000123235594 823482971 /nfs/dbraw/zinc/48/29/71/823482971.db2.gz UEVIGGCWNCZNAB-ZDUSSCGKSA-N 0 0 376.840 4.208 20 5 GIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000410389459 823484006 /nfs/dbraw/zinc/48/40/06/823484006.db2.gz FHKSFMIVNMPYIK-UHFFFAOYSA-N 0 0 376.237 4.066 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)COc3cc([N+](=O)[O-])ccc3C)c2)cs1 ZINC000059247983 823486819 /nfs/dbraw/zinc/48/68/19/823486819.db2.gz LWDDTBFHAZRSMA-UHFFFAOYSA-N 0 0 383.429 4.353 20 5 GIBDRN Cc1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC000029885754 820539355 /nfs/dbraw/zinc/53/93/55/820539355.db2.gz PSONIRLACYOZRU-UHFFFAOYSA-N 0 0 385.470 4.441 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)[C@@H]2CCCO2)c(Br)c1 ZINC000177545110 823487240 /nfs/dbraw/zinc/48/72/40/823487240.db2.gz HLHAUPHVZKFXRY-LSDHHAIUSA-N 0 0 378.226 4.085 20 5 GIBDRN COc1cc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)ccc1C ZINC000059253297 823487444 /nfs/dbraw/zinc/48/74/44/823487444.db2.gz HQIJTZDXBAJTGB-UHFFFAOYSA-N 0 0 396.365 4.045 20 5 GIBDRN Nc1c(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc(F)cc1[N+](=O)[O-] ZINC000059363140 823493708 /nfs/dbraw/zinc/49/37/08/823493708.db2.gz XZPZISINEQGEMZ-UHFFFAOYSA-N 0 0 399.353 4.287 20 5 GIBDRN COCCOc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000177571365 823493814 /nfs/dbraw/zinc/49/38/14/823493814.db2.gz IVSQOQUZSOIAGV-UHFFFAOYSA-N 0 0 378.812 4.143 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC[C@H]1CC ZINC000460720403 823494309 /nfs/dbraw/zinc/49/43/09/823494309.db2.gz BZSHRNXYONIKFF-QGZVFWFLSA-N 0 0 387.484 4.049 20 5 GIBDRN C[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2ccccc2o1 ZINC000177575094 823494524 /nfs/dbraw/zinc/49/45/24/823494524.db2.gz PQWCZELLJCAWFY-LBPRGKRZSA-N 0 0 382.372 4.245 20 5 GIBDRN O=C(CNc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000030284893 820595913 /nfs/dbraw/zinc/59/59/13/820595913.db2.gz SIIVCGUESGWCOG-UHFFFAOYSA-N 0 0 385.807 4.237 20 5 GIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000030313769 820599542 /nfs/dbraw/zinc/59/95/42/820599542.db2.gz OXGZKOAPMJENAT-UHFFFAOYSA-N 0 0 388.729 4.419 20 5 GIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000410417771 823491294 /nfs/dbraw/zinc/49/12/94/823491294.db2.gz JBCAIDPCOCRUGB-UHFFFAOYSA-N 0 0 393.223 4.025 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccco1 ZINC000030471188 820619602 /nfs/dbraw/zinc/61/96/02/820619602.db2.gz SYNYRBHSFMXUBR-UHFFFAOYSA-N 0 0 383.404 4.202 20 5 GIBDRN O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000059335017 823492297 /nfs/dbraw/zinc/49/22/97/823492297.db2.gz RORKHLKOHOYZBN-UHFFFAOYSA-N 0 0 390.374 4.453 20 5 GIBDRN CC(C)N(CC(F)F)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000123296292 823492456 /nfs/dbraw/zinc/49/24/56/823492456.db2.gz ZPMVAJTYLBJVFF-CYBMUJFWSA-N 0 0 392.406 4.279 20 5 GIBDRN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123326222 823496577 /nfs/dbraw/zinc/49/65/77/823496577.db2.gz MBQSJUXMYJLDKF-MRXNPFEDSA-N 0 0 392.253 4.063 20 5 GIBDRN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410467856 823497785 /nfs/dbraw/zinc/49/77/85/823497785.db2.gz LDTMLMZVFYRMKC-YVEFUNNKSA-N 0 0 394.349 4.216 20 5 GIBDRN O=C(CSCC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000189806364 823498072 /nfs/dbraw/zinc/49/80/72/823498072.db2.gz HSJZTGRNUBXVSW-UHFFFAOYSA-N 0 0 398.362 4.168 20 5 GIBDRN Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000059772830 823498384 /nfs/dbraw/zinc/49/83/84/823498384.db2.gz ULXLLWNPYOBTSJ-UHFFFAOYSA-N 0 0 385.420 4.271 20 5 GIBDRN O=C(Cc1csc(Cc2ccccc2)n1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000123346707 823499778 /nfs/dbraw/zinc/49/97/78/823499778.db2.gz ZESHVRKBQAPDIK-UHFFFAOYSA-N 0 0 389.383 4.102 20 5 GIBDRN COc1cc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000410501927 823500018 /nfs/dbraw/zinc/50/00/18/823500018.db2.gz WYCYEWBVYIHGFA-LLVKDONJSA-N 0 0 380.803 4.099 20 5 GIBDRN CN1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000410501480 823500023 /nfs/dbraw/zinc/50/00/23/823500023.db2.gz VBHIQXKEAMAVMI-UHFFFAOYSA-N 0 0 379.338 4.100 20 5 GIBDRN CC(C)(C)c1ccc(O)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000031224929 820773519 /nfs/dbraw/zinc/77/35/19/820773519.db2.gz YZNKIDZDLIEOGI-UHFFFAOYSA-N 0 0 380.404 4.036 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000460743499 823502198 /nfs/dbraw/zinc/50/21/98/823502198.db2.gz VNILLSIHUFYEEW-CQSZACIVSA-N 0 0 376.815 4.164 20 5 GIBDRN CCN(C(C)=O)c1nc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000177618686 823502488 /nfs/dbraw/zinc/50/24/88/823502488.db2.gz GNMLTJURPLVFRU-SDQBBNPISA-N 0 0 392.824 4.302 20 5 GIBDRN Cc1cc(-n2cccn2)ccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189829867 823503060 /nfs/dbraw/zinc/50/30/60/823503060.db2.gz DJOSDEMQGDEURZ-CQSZACIVSA-N 0 0 390.403 4.312 20 5 GIBDRN CSc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000031393459 820802881 /nfs/dbraw/zinc/80/28/81/820802881.db2.gz XSZHQTBYNVJIHH-LBPRGKRZSA-N 0 0 399.472 4.156 20 5 GIBDRN COc1cc(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000410545831 823503469 /nfs/dbraw/zinc/50/34/69/823503469.db2.gz DAKHALBTEIYQOG-KRWDZBQOSA-N 0 0 378.375 4.399 20 5 GIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410551910 823503671 /nfs/dbraw/zinc/50/36/71/823503671.db2.gz WJMZTPVFLBUIAH-ZIAGYGMSSA-N 0 0 376.400 4.408 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000031534737 820822197 /nfs/dbraw/zinc/82/21/97/820822197.db2.gz TWUDNQFCJOQIHJ-UHFFFAOYSA-N 0 0 398.337 4.252 20 5 GIBDRN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000177651503 823507499 /nfs/dbraw/zinc/50/74/99/823507499.db2.gz DMPXDCAFTZUCMR-NSHDSACASA-N 0 0 383.326 4.054 20 5 GIBDRN CC[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000177652795 823507707 /nfs/dbraw/zinc/50/77/07/823507707.db2.gz NTROESZNLFMOLU-LLVKDONJSA-N 0 0 383.231 4.489 20 5 GIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000123425368 823507961 /nfs/dbraw/zinc/50/79/61/823507961.db2.gz VQXQABPMNDNAAW-AWEZNQCLSA-N 0 0 388.489 4.276 20 5 GIBDRN Cc1sc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000177658285 823508984 /nfs/dbraw/zinc/50/89/84/823508984.db2.gz VEEJNPOLEUHARH-UHFFFAOYSA-N 0 0 396.472 4.214 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000060111257 823508998 /nfs/dbraw/zinc/50/89/98/823508998.db2.gz LPXCMRGTTFLKPI-CQSZACIVSA-N 0 0 386.448 4.098 20 5 GIBDRN CSc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000031695146 820847231 /nfs/dbraw/zinc/84/72/31/820847231.db2.gz NXCBESXMTXXPEM-HNNXBMFYSA-N 0 0 399.516 4.411 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000031721567 820851155 /nfs/dbraw/zinc/85/11/55/820851155.db2.gz PODURHRDDUUFFT-UHFFFAOYSA-N 0 0 384.841 4.145 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3C)cs2)cc([N+](=O)[O-])c1 ZINC000031790256 820860119 /nfs/dbraw/zinc/86/01/19/820860119.db2.gz XKMIALYIUOHMHL-UHFFFAOYSA-N 0 0 397.412 4.066 20 5 GIBDRN Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000031930602 820876614 /nfs/dbraw/zinc/87/66/14/820876614.db2.gz URMUKUYVTSSHIZ-UHFFFAOYSA-N 0 0 381.457 4.228 20 5 GIBDRN Cc1ccc(Cc2cnc(NC(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1F ZINC000031956602 820879043 /nfs/dbraw/zinc/87/90/43/820879043.db2.gz YAWAPASAHCIROD-UHFFFAOYSA-N 0 0 385.420 4.271 20 5 GIBDRN COc1cc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000060205541 823511717 /nfs/dbraw/zinc/51/17/17/823511717.db2.gz YJODZAXMZPJMDL-INIZCTEOSA-N 0 0 384.432 4.155 20 5 GIBDRN COc1cc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c([N+](=O)[O-])cc1F ZINC000410775145 823513253 /nfs/dbraw/zinc/51/32/53/823513253.db2.gz JWGIAOKESYOKOC-UHFFFAOYSA-N 0 0 390.333 4.128 20 5 GIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc([N+](=O)[O-])c(C)c4)CC3)c2c1 ZINC000032337782 820919791 /nfs/dbraw/zinc/91/97/91/820919791.db2.gz SNTOENDBYKTGGO-UHFFFAOYSA-N 0 0 391.427 4.323 20 5 GIBDRN Cc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)CN1CCCCC1 ZINC000123504505 823515334 /nfs/dbraw/zinc/51/53/34/823515334.db2.gz FTJMLRMPWCYGTL-UHFFFAOYSA-N 0 0 396.491 4.248 20 5 GIBDRN CNc1ccc(C(=O)NC(C)(C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000032398545 820933081 /nfs/dbraw/zinc/93/30/81/820933081.db2.gz VTTGYDWVZIBAAA-UHFFFAOYSA-N 0 0 392.253 4.064 20 5 GIBDRN CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032488919 820959182 /nfs/dbraw/zinc/95/91/82/820959182.db2.gz VVFNZTPWBOBVHJ-UHFFFAOYSA-N 0 0 386.411 4.206 20 5 GIBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000032677061 820988795 /nfs/dbraw/zinc/98/87/95/820988795.db2.gz RFLOABCGRUXOHR-INIZCTEOSA-N 0 0 391.427 4.368 20 5 GIBDRN Cc1sc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032679165 820990096 /nfs/dbraw/zinc/99/00/96/820990096.db2.gz NSTNLIQGIIRKNA-CYBMUJFWSA-N 0 0 397.456 4.430 20 5 GIBDRN Cc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)onc1C1CCCCC1 ZINC000410876831 823520094 /nfs/dbraw/zinc/52/00/94/823520094.db2.gz NKDDVCYSAPKYDI-UHFFFAOYSA-N 0 0 395.419 4.377 20 5 GIBDRN Cc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)onc1C1CCCCC1 ZINC000410876838 823520123 /nfs/dbraw/zinc/52/01/23/823520123.db2.gz NMOAUHKBTHZGEM-UHFFFAOYSA-N 0 0 395.419 4.377 20 5 GIBDRN C[C@@H]1CCSCCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000189977869 823520303 /nfs/dbraw/zinc/52/03/03/823520303.db2.gz HGVBNWMEMRNJPK-SNVBAGLBSA-N 0 0 394.440 4.060 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC(c3ccccc3)CC2)cc1OC ZINC000123555434 823521020 /nfs/dbraw/zinc/52/10/20/823521020.db2.gz WAPNWCMUTDVEIR-UHFFFAOYSA-N 0 0 398.459 4.458 20 5 GIBDRN COc1ccc(C2(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000060375858 823521288 /nfs/dbraw/zinc/52/12/88/823521288.db2.gz DXWFXIBBWKTJOB-UHFFFAOYSA-N 0 0 397.475 4.381 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123814220 823542666 /nfs/dbraw/zinc/54/26/66/823542666.db2.gz UBKHOFWCIVOSOR-UHFFFAOYSA-N 0 0 382.342 4.451 20 5 GIBDRN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2F)n1 ZINC000060376108 823521338 /nfs/dbraw/zinc/52/13/38/823521338.db2.gz RQUVMCWQVYXXCS-UHFFFAOYSA-N 0 0 384.367 4.334 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032856745 821014296 /nfs/dbraw/zinc/01/42/96/821014296.db2.gz SBYNTWVEZUZYCW-INIZCTEOSA-N 0 0 397.412 4.006 20 5 GIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)cn2)cc1 ZINC000060380987 823521874 /nfs/dbraw/zinc/52/18/74/823521874.db2.gz BWAFEIUWTCPPFJ-UHFFFAOYSA-N 0 0 383.335 4.182 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000033099573 821034173 /nfs/dbraw/zinc/03/41/73/821034173.db2.gz LTWSTEQTVLTPIL-AUUYWEPGSA-N 0 0 384.480 4.107 20 5 GIBDRN O=C(CC1CCCCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060388568 823522897 /nfs/dbraw/zinc/52/28/97/823522897.db2.gz NIMWVQQVSSYRGY-UHFFFAOYSA-N 0 0 399.413 4.233 20 5 GIBDRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000033158543 821040405 /nfs/dbraw/zinc/04/04/05/821040405.db2.gz BPAAWTKAZBJKJA-UHFFFAOYSA-N 0 0 386.795 4.260 20 5 GIBDRN CCNc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000033181615 821044650 /nfs/dbraw/zinc/04/46/50/821044650.db2.gz JGHVJPZINHLAJH-UHFFFAOYSA-N 0 0 392.415 4.253 20 5 GIBDRN O=C(c1ccc(Cl)cc1)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000060447136 823528859 /nfs/dbraw/zinc/52/88/59/823528859.db2.gz DCQUWLBPSATNDI-UHFFFAOYSA-N 0 0 390.852 4.057 20 5 GIBDRN COc1cc(C(=O)N[C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000036697504 821076560 /nfs/dbraw/zinc/07/65/60/821076560.db2.gz VBHWFXLFAZQRQA-CYBMUJFWSA-N 0 0 380.400 4.256 20 5 GIBDRN C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000036818091 821086308 /nfs/dbraw/zinc/08/63/08/821086308.db2.gz POVSTHNCJMLKCZ-JTQLQIEISA-N 0 0 381.251 4.477 20 5 GIBDRN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc2c(s1)CCCC2 ZINC000177784263 823525764 /nfs/dbraw/zinc/52/57/64/823525764.db2.gz NACXPAQSQLRYBF-UHFFFAOYSA-N 0 0 398.488 4.260 20 5 GIBDRN CC[C@@H](NC(=O)Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000177783695 823525803 /nfs/dbraw/zinc/52/58/03/823525803.db2.gz FOIFGVGRAKXFKA-CYBMUJFWSA-N 0 0 383.267 4.229 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038711019 821099713 /nfs/dbraw/zinc/09/97/13/821099713.db2.gz GKKYNVWXPKEHSW-UHFFFAOYSA-N 0 0 382.397 4.066 20 5 GIBDRN CSc1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2C)n1-c1ccc(F)cc1 ZINC000039513956 821108364 /nfs/dbraw/zinc/10/83/64/821108364.db2.gz JTANGDXCQLDBGB-UHFFFAOYSA-N 0 0 386.408 4.202 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1nccs1 ZINC000177845254 823535374 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4.296 20 5 GIBDRN O=C(NC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000041379612 821185783 /nfs/dbraw/zinc/18/57/83/821185783.db2.gz WAKPLAGMAJQRDZ-GFCCVEGCSA-N 0 0 392.864 4.166 20 5 GIBDRN COCC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000411042055 823536714 /nfs/dbraw/zinc/53/67/14/823536714.db2.gz CTQKBCSGICTZSS-HNNXBMFYSA-N 0 0 382.338 4.121 20 5 GIBDRN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177855632 823537004 /nfs/dbraw/zinc/53/70/04/823537004.db2.gz WRDOOCIRRWCKOF-LBPRGKRZSA-N 0 0 385.445 4.348 20 5 GIBDRN Cc1nn(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)c(C)c1Cl ZINC000060517115 823537371 /nfs/dbraw/zinc/53/73/71/823537371.db2.gz DMNAQQNEYVHTCK-UHFFFAOYSA-N 0 0 388.786 4.442 20 5 GIBDRN Cc1cc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C)no1 ZINC000177860801 823537746 /nfs/dbraw/zinc/53/77/46/823537746.db2.gz AQFNZEZMYHUQJB-AWEZNQCLSA-N 0 0 382.420 4.098 20 5 GIBDRN O=c1c2cc3ccccc3cc2ncn1C[C@H](O)c1ccccc1C(F)(F)F 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CXOABNFJAOVOTQ-UHFFFAOYSA-N 0 0 388.445 4.185 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000411074306 823541664 /nfs/dbraw/zinc/54/16/64/823541664.db2.gz MLBSPWJUSTVBRN-UHFFFAOYSA-N 0 0 385.445 4.263 20 5 GIBDRN CC(C)[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000043103974 821361174 /nfs/dbraw/zinc/36/11/74/821361174.db2.gz KZACMKHPOAXXOT-SFHVURJKSA-N 0 0 381.436 4.010 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000043127045 821364281 /nfs/dbraw/zinc/36/42/81/821364281.db2.gz BKRQCMNKXFDCPK-UHFFFAOYSA-N 0 0 383.326 4.286 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000043147704 821368341 /nfs/dbraw/zinc/36/83/41/821368341.db2.gz IPEHNUYGVPNBIY-ZDUSSCGKSA-N 0 0 382.420 4.134 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1F ZINC000180628445 821374706 /nfs/dbraw/zinc/37/47/06/821374706.db2.gz JOZWGCYCTGBIBE-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN Cc1ccc(Oc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cn2)cc1C ZINC000180666273 821387786 /nfs/dbraw/zinc/38/77/86/821387786.db2.gz DMPURTZZETWGIW-UHFFFAOYSA-N 0 0 378.388 4.233 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000043347713 821395936 /nfs/dbraw/zinc/39/59/36/821395936.db2.gz LXBQBHFNOQNOMB-SFHVURJKSA-N 0 0 385.420 4.289 20 5 GIBDRN CCOc1cccc([C@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000180696588 821399883 /nfs/dbraw/zinc/39/98/83/821399883.db2.gz PGYFYGAYYUXGRP-KBPBESRZSA-N 0 0 382.420 4.455 20 5 GIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000043753407 821453636 /nfs/dbraw/zinc/45/36/36/821453636.db2.gz RNOFAAJTBCTUAQ-UHFFFAOYSA-N 0 0 380.404 4.313 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043782988 821457857 /nfs/dbraw/zinc/45/78/57/821457857.db2.gz NPFXHNNYBNBINP-LJQANCHMSA-N 0 0 394.431 4.381 20 5 GIBDRN CCOc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)cc1[N+](=O)[O-] ZINC000180802221 821466700 /nfs/dbraw/zinc/46/67/00/821466700.db2.gz HFPYVYIBCMTFQU-UHFFFAOYSA-N 0 0 384.310 4.029 20 5 GIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000180848220 821492866 /nfs/dbraw/zinc/49/28/66/821492866.db2.gz BOEXFNQVOWUUDW-LRDDRELGSA-N 0 0 399.285 4.071 20 5 GIBDRN COCCc1nc(C)c([C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000180888839 821516236 /nfs/dbraw/zinc/51/62/36/821516236.db2.gz CDEITHLJWSUPJE-JTQLQIEISA-N 0 0 384.841 4.120 20 5 GIBDRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000044267224 821557714 /nfs/dbraw/zinc/55/77/14/821557714.db2.gz KTUGIMMVDNNQPC-UHFFFAOYSA-N 0 0 389.383 4.262 20 5 GIBDRN CC(C)OCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000180982440 821572904 /nfs/dbraw/zinc/57/29/04/821572904.db2.gz HQFNZZLCJKSNKQ-UHFFFAOYSA-N 0 0 380.347 4.374 20 5 GIBDRN C[C@H](CCO)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180986941 821575868 /nfs/dbraw/zinc/57/58/68/821575868.db2.gz HFAHROXQYXRMHQ-MRXNPFEDSA-N 0 0 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C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCCO1 ZINC000183691928 822512309 /nfs/dbraw/zinc/51/23/09/822512309.db2.gz JYOODUQIELOEJN-CQSZACIVSA-N 0 0 378.494 4.128 20 5 GIBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cnn1C ZINC000179618069 822513795 /nfs/dbraw/zinc/51/37/95/822513795.db2.gz UZXDDZHBTKFBDS-UHFFFAOYSA-N 0 0 399.838 4.155 20 5 GIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1 ZINC000183712611 822515578 /nfs/dbraw/zinc/51/55/78/822515578.db2.gz JTCUPAMPVJUADF-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000183734642 822518789 /nfs/dbraw/zinc/51/87/89/822518789.db2.gz GWLJSRYFIFNHCY-UYAOXDASSA-N 0 0 391.512 4.499 20 5 GIBDRN CCOCCC1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000454701493 822519810 /nfs/dbraw/zinc/51/98/10/822519810.db2.gz RNEXHTCKWJQEDS-GOSISDBHSA-N 0 0 389.496 4.081 20 5 GIBDRN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000046817761 822521000 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C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569008605 822869185 /nfs/dbraw/zinc/86/91/85/822869185.db2.gz XKNBSNCRRQXAJG-INIZCTEOSA-N 0 0 397.475 4.208 20 5 GIBDRN COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000054226832 822869812 /nfs/dbraw/zinc/86/98/12/822869812.db2.gz VUBHOBBKLNVNAS-VIFPVBQESA-N 0 0 398.387 4.026 20 5 GIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000054233657 822870060 /nfs/dbraw/zinc/87/00/60/822870060.db2.gz ALUCMTJIGZGACS-UHFFFAOYSA-N 0 0 385.401 4.371 20 5 GIBDRN O=C(Nc1ccc(-c2cncnc2)cc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569039146 822872059 /nfs/dbraw/zinc/87/20/59/822872059.db2.gz PNGZGBHAGHYKBB-UHFFFAOYSA-N 0 0 388.305 4.323 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2c(O)cccc21 ZINC000186320165 822875838 /nfs/dbraw/zinc/87/58/38/822875838.db2.gz DYKFHAFAQYYAAB-SNVBAGLBSA-N 0 0 391.221 4.217 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1Cc2ccccc2C2(CC2)C1 ZINC000186320559 822875946 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4.157 20 5 GIBDRN O=C(Nc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1)c1ccco1 ZINC000186352752 822880349 /nfs/dbraw/zinc/88/03/49/822880349.db2.gz KCZUWMIXWBMEHJ-UHFFFAOYSA-N 0 0 399.790 4.024 20 5 GIBDRN CC[C@@H](C)n1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1C ZINC000569108280 822880555 /nfs/dbraw/zinc/88/05/55/822880555.db2.gz INVZGJGSSVETCK-SECBINFHSA-N 0 0 381.230 4.086 20 5 GIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2csc([N+](=O)[O-])c2)cc1 ZINC000054423091 822883705 /nfs/dbraw/zinc/88/37/05/822883705.db2.gz SBIUGDKPTUBQNZ-GOSISDBHSA-N 0 0 381.413 4.436 20 5 GIBDRN Cc1cc(Br)cc(C)c1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054431574 822884920 /nfs/dbraw/zinc/88/49/20/822884920.db2.gz RLRDYQSXXIBIFY-UHFFFAOYSA-N 0 0 392.253 4.338 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175116308 822885372 /nfs/dbraw/zinc/88/53/72/822885372.db2.gz NUPSJKCIXCPHNS-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN COc1cccc2c1N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 ZINC000175118366 822885597 /nfs/dbraw/zinc/88/55/97/822885597.db2.gz ARINLGQFMVCTIE-UHFFFAOYSA-N 0 0 380.322 4.215 20 5 GIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175120679 822886242 /nfs/dbraw/zinc/88/62/42/822886242.db2.gz ZCVMHMBHYBCYGS-VIFPVBQESA-N 0 0 395.293 4.113 20 5 GIBDRN O=Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000054443966 822886458 /nfs/dbraw/zinc/88/64/58/822886458.db2.gz JMICRMHRTKGSLQ-UHFFFAOYSA-N 0 0 376.368 4.239 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000054444421 822886503 /nfs/dbraw/zinc/88/65/03/822886503.db2.gz MQVBIRDMLPVGST-UHFFFAOYSA-N 0 0 397.279 4.496 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc(-c2ccccc2)cs1 ZINC000569222612 822894303 /nfs/dbraw/zinc/89/43/03/822894303.db2.gz PMEVOLYQDUYCTP-UHFFFAOYSA-N 0 0 375.356 4.178 20 5 GIBDRN C[C@H](NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000054570248 822896339 /nfs/dbraw/zinc/89/63/39/822896339.db2.gz CXDHBRLJFABIPR-OXJNMPFZSA-N 0 0 383.448 4.047 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1[N+](=O)[O-] ZINC000186448011 822897377 /nfs/dbraw/zinc/89/73/77/822897377.db2.gz KZFTWZZMUNIJJG-UHFFFAOYSA-N 0 0 395.444 4.232 20 5 GIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2n[nH]c(-c3cccnc3)n2)c1 ZINC000569261507 822897831 /nfs/dbraw/zinc/89/78/31/822897831.db2.gz JJFKDHFNCSZAQF-UHFFFAOYSA-N 0 0 381.339 4.086 20 5 GIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000175176587 822898028 /nfs/dbraw/zinc/89/80/28/822898028.db2.gz JMJDPLQBIFDWQD-UHFFFAOYSA-N 0 0 383.448 4.232 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](c2nccs2)c2ccccc2)c1[N+](=O)[O-] ZINC000186458935 822899062 /nfs/dbraw/zinc/89/90/62/822899062.db2.gz JRJCDUOMLLXJQL-HNNXBMFYSA-N 0 0 385.470 4.293 20 5 GIBDRN CCCOC1(c2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)CCCCC1 ZINC000569290227 822902340 /nfs/dbraw/zinc/90/23/40/822902340.db2.gz ISRRWDZZZREVOJ-UHFFFAOYSA-N 0 0 391.424 4.248 20 5 GIBDRN Cc1sc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000054666319 822902514 /nfs/dbraw/zinc/90/25/14/822902514.db2.gz QQOBCFKSCAUJON-OAHLLOKOSA-N 0 0 384.461 4.219 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1[N+](=O)[O-] ZINC000054672422 822903852 /nfs/dbraw/zinc/90/38/52/822903852.db2.gz NRMGXLKQDAMFGR-UHFFFAOYSA-N 0 0 382.445 4.417 20 5 GIBDRN C[C@@H](c1ccccc1)n1cnnc1SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000054917204 822921843 /nfs/dbraw/zinc/92/18/43/822921843.db2.gz IUOWLWKRWHNFCY-HNNXBMFYSA-N 0 0 384.461 4.357 20 5 GIBDRN Cc1nc(C)c(-c2nnc(SCCCOc3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000054916485 822921860 /nfs/dbraw/zinc/92/18/60/822921860.db2.gz DTPYJEJHNSLAMY-UHFFFAOYSA-N 0 0 392.462 4.279 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000175300192 822928877 /nfs/dbraw/zinc/92/88/77/822928877.db2.gz GODFJJWWPACEDO-UHFFFAOYSA-N 0 0 392.839 4.362 20 5 GIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000055006425 822930345 /nfs/dbraw/zinc/93/03/45/822930345.db2.gz BPMKSLNKAWDUJD-UHFFFAOYSA-N 0 0 384.388 4.044 20 5 GIBDRN COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1SC ZINC000457897295 822930387 /nfs/dbraw/zinc/93/03/87/822930387.db2.gz HDIYRLYPSFNSKM-UHFFFAOYSA-N 0 0 376.434 4.041 20 5 GIBDRN Cc1csc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)n1 ZINC000175307329 822930854 /nfs/dbraw/zinc/93/08/54/822930854.db2.gz JLHSIHGFEORBAN-ZDUSSCGKSA-N 0 0 398.391 4.234 20 5 GIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OC(C)C ZINC000186668216 822933507 /nfs/dbraw/zinc/93/35/07/822933507.db2.gz NWGJLZDUSBXNET-UHFFFAOYSA-N 0 0 381.388 4.191 20 5 GIBDRN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000457916508 822935060 /nfs/dbraw/zinc/93/50/60/822935060.db2.gz KILWDWSQZJQJES-QMMMGPOBSA-N 0 0 385.367 4.050 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000457925859 822937769 /nfs/dbraw/zinc/93/77/69/822937769.db2.gz IZXTXEUUCXJLIR-GFCCVEGCSA-N 0 0 381.354 4.150 20 5 GIBDRN O=C(Nc1ccccc1CC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569651559 822950556 /nfs/dbraw/zinc/95/05/56/822950556.db2.gz LICQKZGIWRZBOO-UHFFFAOYSA-N 0 0 395.337 4.126 20 5 GIBDRN CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186770591 822952516 /nfs/dbraw/zinc/95/25/16/822952516.db2.gz FCKVGXUZLHLICT-UHFFFAOYSA-N 0 0 389.249 4.161 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000175382688 822953168 /nfs/dbraw/zinc/95/31/68/822953168.db2.gz MKJNMZFZLIDUCI-GFCCVEGCSA-N 0 0 398.444 4.327 20 5 GIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000175392115 822956893 /nfs/dbraw/zinc/95/68/93/822956893.db2.gz LKTIKYWIAOMFPG-ZYHUDNBSSA-N 0 0 387.299 4.104 20 5 GIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000175393943 822957653 /nfs/dbraw/zinc/95/76/53/822957653.db2.gz DHHCPLYUBMDBDL-NWDGAFQWSA-N 0 0 387.299 4.104 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458104618 822958824 /nfs/dbraw/zinc/95/88/24/822958824.db2.gz WTGDLDWHBJOTID-FPOVZHCZSA-N 0 0 390.443 4.189 20 5 GIBDRN Cc1nn(CCC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000458125170 822960249 /nfs/dbraw/zinc/96/02/49/822960249.db2.gz KYXZAGVWYXMUEI-NRFANRHFSA-N 0 0 396.491 4.332 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccccc2-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000186820084 822961052 /nfs/dbraw/zinc/96/10/52/822961052.db2.gz GHHPLYRXJGJISV-UHFFFAOYSA-N 0 0 396.472 4.049 20 5 GIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000055428832 822961867 /nfs/dbraw/zinc/96/18/67/822961867.db2.gz MPDMUYVRVGWSBQ-IBGZPJMESA-N 0 0 383.448 4.159 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458138865 822961813 /nfs/dbraw/zinc/96/18/13/822961813.db2.gz WQRUDVRVZYQBAZ-HXUWFJFHSA-N 0 0 382.464 4.024 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000569747622 822963015 /nfs/dbraw/zinc/96/30/15/822963015.db2.gz ZZQUSQGWXXCBOJ-FQEVSTJZSA-N 0 0 395.459 4.427 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)o1 ZINC000175418139 822964213 /nfs/dbraw/zinc/96/42/13/822964213.db2.gz UUSMIULPZSZBBC-UHFFFAOYSA-N 0 0 386.795 4.042 20 5 GIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466234 822967007 /nfs/dbraw/zinc/96/70/07/822967007.db2.gz RCDWEFSPJNKEBE-GFCCVEGCSA-N 0 0 399.428 4.301 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000055466441 822967067 /nfs/dbraw/zinc/96/70/67/822967067.db2.gz BIPPRJQTFOLNIQ-CYBMUJFWSA-N 0 0 397.456 4.430 20 5 GIBDRN C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000055467278 822967291 /nfs/dbraw/zinc/96/72/91/822967291.db2.gz CVXDFZVXPMNYPW-HNNXBMFYSA-N 0 0 379.416 4.450 20 5 GIBDRN Cc1occc1CN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000055475105 822968405 /nfs/dbraw/zinc/96/84/05/822968405.db2.gz RXMQKVYYRUDSAJ-CQSZACIVSA-N 0 0 394.431 4.337 20 5 GIBDRN C[C@@H](Sc1ccc(C(F)(F)F)nn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186862639 822970163 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GIBDRN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055587593 822982759 /nfs/dbraw/zinc/98/27/59/822982759.db2.gz HRWYWCJUDXDNKG-UHFFFAOYSA-N 0 0 396.230 4.292 20 5 GIBDRN CCOc1cc(NC(=O)c2scnc2C(C)(C)C)c([N+](=O)[O-])cc1OCC ZINC000175494028 822983138 /nfs/dbraw/zinc/98/31/38/822983138.db2.gz RMZNSQICDXYYIN-UHFFFAOYSA-N 0 0 393.465 4.399 20 5 GIBDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] ZINC000055619557 822988504 /nfs/dbraw/zinc/98/85/04/822988504.db2.gz UIQLDIGDJBRRTO-UHFFFAOYSA-N 0 0 399.266 4.083 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175517093 822989208 /nfs/dbraw/zinc/98/92/08/822989208.db2.gz CNXVYOOVGFNMTL-UHFFFAOYSA-N 0 0 385.811 4.340 20 5 GIBDRN COCc1cccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 ZINC000186972909 822990084 /nfs/dbraw/zinc/99/00/84/822990084.db2.gz KUGNKUFPQRXSPA-UHFFFAOYSA-N 0 0 397.456 4.354 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c(F)cccc1Br ZINC000175522499 822990393 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GIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000055785544 823044329 /nfs/dbraw/zinc/04/43/29/823044329.db2.gz DPVDBAZWRBSCDW-MRXNPFEDSA-N 0 0 375.222 4.335 20 5 GIBDRN Cc1ccc(-c2ocnc2C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000175807059 823044775 /nfs/dbraw/zinc/04/47/75/823044775.db2.gz ABCMFGROCBHOFK-UHFFFAOYSA-N 0 0 389.371 4.201 20 5 GIBDRN CN(C)c1ncccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000060558803 823542093 /nfs/dbraw/zinc/54/20/93/823542093.db2.gz SUGQAWMUNLAAGM-UHFFFAOYSA-N 0 0 377.404 4.052 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)cc1OC ZINC000411090892 823544264 /nfs/dbraw/zinc/54/42/64/823544264.db2.gz JPIZEZRNWCHSSS-JOCHJYFZSA-N 0 0 398.459 4.143 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000411109951 823548069 /nfs/dbraw/zinc/54/80/69/823548069.db2.gz NMPWGPSSEPIGEF-SJLPKXTDSA-N 0 0 398.459 4.410 20 5 GIBDRN CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OCC 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C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000124045339 823562773 /nfs/dbraw/zinc/56/27/73/823562773.db2.gz AZWPFSXKENENIO-MRXNPFEDSA-N 0 0 395.459 4.181 20 5 GIBDRN Cc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 ZINC000461034697 823562866 /nfs/dbraw/zinc/56/28/66/823562866.db2.gz VPCYSURWYVXFKK-UHFFFAOYSA-N 0 0 383.429 4.390 20 5 GIBDRN COc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000411382377 823567993 /nfs/dbraw/zinc/56/79/93/823567993.db2.gz KNLMTDBWPMXQMP-ZOCIIQOWSA-N 0 0 398.459 4.372 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000124143550 823571385 /nfs/dbraw/zinc/57/13/85/823571385.db2.gz OIBGGNNPQLBQJG-STQMWFEESA-N 0 0 396.321 4.244 20 5 GIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCSc2ccc(F)cc21 ZINC000190426957 823572222 /nfs/dbraw/zinc/57/22/22/823572222.db2.gz HGZSCVBGAOXDKB-UHFFFAOYSA-N 0 0 398.419 4.062 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Cl)c2c(c1)OCCCO2 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ZINC000411877146 823612021 /nfs/dbraw/zinc/61/20/21/823612021.db2.gz RQRCCTWEGWXZIW-VQTJNVASSA-N 0 0 382.460 4.330 20 5 GIBDRN COc1cc2nc(C)sc2cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411891772 823613528 /nfs/dbraw/zinc/61/35/28/823613528.db2.gz HVGCHCSJIMMORG-UONOGXRCSA-N 0 0 383.429 4.264 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000461302284 823614108 /nfs/dbraw/zinc/61/41/08/823614108.db2.gz SPNRCNKTEPUJRF-VLIAUNLRSA-N 0 0 381.407 4.298 20 5 GIBDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000461315379 823616558 /nfs/dbraw/zinc/61/65/58/823616558.db2.gz JBQZIIHXCLSMJF-XOBRGWDASA-N 0 0 394.406 4.143 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995607 823619453 /nfs/dbraw/zinc/61/94/53/823619453.db2.gz DQPKQLRKDWQNOH-NRFANRHFSA-N 0 0 382.460 4.347 20 5 GIBDRN CCCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000124707805 823619541 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WRMJUPNCZVELPY-PWRODBHTSA-N 0 0 379.460 4.128 20 5 GIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461394067 823628822 /nfs/dbraw/zinc/62/88/22/823628822.db2.gz FPASGFREPYHTCY-UHFFFAOYSA-N 0 0 389.411 4.000 20 5 GIBDRN Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)CC2)c1 ZINC000412133737 823629028 /nfs/dbraw/zinc/62/90/28/823629028.db2.gz RIUIETUUVLMRDJ-UHFFFAOYSA-N 0 0 397.475 4.407 20 5 GIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000124840656 823630228 /nfs/dbraw/zinc/63/02/28/823630228.db2.gz GMWZAUNIWJQOSE-AWEZNQCLSA-N 0 0 399.422 4.309 20 5 GIBDRN O=C(N[C@@H](CO)C1CCCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000461408991 823630889 /nfs/dbraw/zinc/63/08/89/823630889.db2.gz UPEJPCSKDLMLAK-IBGZPJMESA-N 0 0 386.473 4.027 20 5 GIBDRN O=C(CCCCCc1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461411350 823631209 /nfs/dbraw/zinc/63/12/09/823631209.db2.gz YBNQZTMORYQMNO-UHFFFAOYSA-N 0 0 386.423 4.258 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412156238 823631308 /nfs/dbraw/zinc/63/13/08/823631308.db2.gz JSGQEUOIEWAUHY-BQJUDKOJSA-N 0 0 380.444 4.043 20 5 GIBDRN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461413206 823631405 /nfs/dbraw/zinc/63/14/05/823631405.db2.gz AQIRSQAICHNVJM-MRXNPFEDSA-N 0 0 394.349 4.052 20 5 GIBDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000461418636 823632374 /nfs/dbraw/zinc/63/23/74/823632374.db2.gz SLKWGNDQWBYOSA-VMBOVVBDSA-N 0 0 385.464 4.276 20 5 GIBDRN C[C@@H]1CN(c2ccc(NCc3cc(Cl)ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000124872130 823632831 /nfs/dbraw/zinc/63/28/31/823632831.db2.gz YZBWVLQAPCQMHG-OKILXGFUSA-N 0 0 375.856 4.474 20 5 GIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000412248663 823639773 /nfs/dbraw/zinc/63/97/73/823639773.db2.gz UGDFXABCZMTVMD-WMZOPIPTSA-N 0 0 378.469 4.096 20 5 GIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(C2CC2)n1Cc1cccs1)C1CC1 ZINC000461475563 823644356 /nfs/dbraw/zinc/64/43/56/823644356.db2.gz ACHNRNWVALKTEW-UHFFFAOYSA-N 0 0 395.488 4.343 20 5 GIBDRN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412299906 823644369 /nfs/dbraw/zinc/64/43/69/823644369.db2.gz HOJUACCDQQINPX-ZENOOKHLSA-N 0 0 382.313 4.099 20 5 GIBDRN C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)[C@@H]1C ZINC000461478552 823645013 /nfs/dbraw/zinc/64/50/13/823645013.db2.gz HWEGDJKJUMCMHF-ZIAGYGMSSA-N 0 0 383.477 4.198 20 5 GIBDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC000062865605 823645536 /nfs/dbraw/zinc/64/55/36/823645536.db2.gz GBUXOPPCQVBFBJ-INIZCTEOSA-N 0 0 385.416 4.106 20 5 GIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2C)cnn1-c1ccc(F)cc1 ZINC000191092705 823648008 /nfs/dbraw/zinc/64/80/08/823648008.db2.gz ASXZPAHBSVCNBJ-UHFFFAOYSA-N 0 0 382.395 4.433 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1)C1CC1 ZINC000412362290 823649863 /nfs/dbraw/zinc/64/98/63/823649863.db2.gz HASMMOWLQMPHCU-UHFFFAOYSA-N 0 0 397.431 4.150 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c1F ZINC000412418279 823654361 /nfs/dbraw/zinc/65/43/61/823654361.db2.gz LQSVWEHCYFWASU-WBVHZDCISA-N 0 0 386.423 4.080 20 5 GIBDRN C[C@H](Oc1cccnc1[N+](=O)[O-])c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000125148893 823655161 /nfs/dbraw/zinc/65/51/61/823655161.db2.gz YJJMRLKLSHRJSC-QMMMGPOBSA-N 0 0 381.175 4.487 20 5 GIBDRN O=[N+]([O-])c1c(F)cccc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063254935 823657454 /nfs/dbraw/zinc/65/74/54/823657454.db2.gz KHKFJEQAHNLJTE-OAHLLOKOSA-N 0 0 381.201 4.074 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCOc1ccc(Cl)cc1Cl ZINC000063261962 823657899 /nfs/dbraw/zinc/65/78/99/823657899.db2.gz BODQSESTXROHNT-UHFFFAOYSA-N 0 0 383.231 4.029 20 5 GIBDRN CCn1cccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1=O ZINC000412494695 823658760 /nfs/dbraw/zinc/65/87/60/823658760.db2.gz CSKAMTQLCCOKLB-UHFFFAOYSA-N 0 0 389.477 4.167 20 5 GIBDRN CCCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000125203923 823658883 /nfs/dbraw/zinc/65/88/83/823658883.db2.gz VYMLPWQLLKYPOR-UHFFFAOYSA-N 0 0 399.447 4.459 20 5 GIBDRN O=c1[nH]cnc2cc(NCc3ccccc3Oc3ccccc3)c([N+](=O)[O-])cc21 ZINC000063282001 823659461 /nfs/dbraw/zinc/65/94/61/823659461.db2.gz RGWZHNMRQMUYGR-UHFFFAOYSA-N 0 0 388.383 4.236 20 5 GIBDRN CC(=O)Nc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000063334825 823663826 /nfs/dbraw/zinc/66/38/26/823663826.db2.gz RQXAKIJZIPJLHG-SNVBAGLBSA-N 0 0 393.852 4.326 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Oc1ccccc1 ZINC000063404215 823668645 /nfs/dbraw/zinc/66/86/45/823668645.db2.gz YSQYIHFMRHXOPF-UHFFFAOYSA-N 0 0 377.400 4.387 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000125339856 823669112 /nfs/dbraw/zinc/66/91/12/823669112.db2.gz HDRXNEKIDUACTB-LLVKDONJSA-N 0 0 378.475 4.160 20 5 GIBDRN O=C(Nc1cnn(Cc2ccccc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125371299 823671272 /nfs/dbraw/zinc/67/12/72/823671272.db2.gz HIEZQMLGEVCJNX-UHFFFAOYSA-N 0 0 391.431 4.036 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000191320922 823671320 /nfs/dbraw/zinc/67/13/20/823671320.db2.gz PGXHOZPYNZZKCI-UHFFFAOYSA-N 0 0 384.436 4.272 20 5 GIBDRN O=C(NCc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000191321896 823671528 /nfs/dbraw/zinc/67/15/28/823671528.db2.gz PQTXGRULYXCXJW-UHFFFAOYSA-N 0 0 375.222 4.165 20 5 GIBDRN CCOc1ccccc1C1=CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000125391014 823672667 /nfs/dbraw/zinc/67/26/67/823672667.db2.gz MFSLUQLNSVIWHY-UHFFFAOYSA-N 0 0 396.443 4.322 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)CSc2ccccc2[N+](=O)[O-])s1 ZINC000125395831 823672963 /nfs/dbraw/zinc/67/29/63/823672963.db2.gz YNNFJIHPTQEPSI-LBPRGKRZSA-N 0 0 379.507 4.234 20 5 GIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412679421 823674184 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CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1(C)C ZINC000412897715 823689915 /nfs/dbraw/zinc/68/99/15/823689915.db2.gz KSUSOTLAFZCGAS-RBUKOAKNSA-N 0 0 392.499 4.393 20 5 GIBDRN O=C(CN1CCC(OC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125637042 823692214 /nfs/dbraw/zinc/69/22/14/823692214.db2.gz MBHWTOXVSIXXJQ-UHFFFAOYSA-N 0 0 395.887 4.000 20 5 GIBDRN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c(F)c1 ZINC000412915732 823692726 /nfs/dbraw/zinc/69/27/26/823692726.db2.gz VVTQRHVGJNFGQB-UHFFFAOYSA-N 0 0 394.424 4.123 20 5 GIBDRN O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000412932666 823693696 /nfs/dbraw/zinc/69/36/96/823693696.db2.gz JAUBUFGNKRMMSL-GDBMZVCRSA-N 0 0 386.473 4.027 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCc1ccccc1)C1CCCC1 ZINC000063765733 823694357 /nfs/dbraw/zinc/69/43/57/823694357.db2.gz PFEQNDMBLLENMN-UHFFFAOYSA-N 0 0 388.489 4.079 20 5 GIBDRN Cc1cc(NCc2ccc(NC(=O)c3cccnc3)cc2)c(F)cc1[N+](=O)[O-] ZINC000461780864 823694664 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O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000064385932 823807083 /nfs/dbraw/zinc/80/70/83/823807083.db2.gz NRCAULDQRZITSV-JKSUJKDBSA-N 0 0 387.233 4.050 20 5 GIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000164574911 823809258 /nfs/dbraw/zinc/80/92/58/823809258.db2.gz RMCHJCLUIPVFDB-HNAYVOBHSA-N 0 0 383.448 4.220 20 5 GIBDRN CC(=O)c1cccc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000164595896 823810845 /nfs/dbraw/zinc/81/08/45/823810845.db2.gz CZTIDKWSHJGPKM-UHFFFAOYSA-N 0 0 385.419 4.101 20 5 GIBDRN Cc1c(Br)c(NC[C@]2(C)OCCc3sccc32)ncc1[N+](=O)[O-] ZINC000574731505 823812900 /nfs/dbraw/zinc/81/29/00/823812900.db2.gz CLMPHJMGIFKRLK-HNNXBMFYSA-N 0 0 398.282 4.022 20 5 GIBDRN Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1ncco1 ZINC000164678612 823815760 /nfs/dbraw/zinc/81/57/60/823815760.db2.gz JSMNDERRUNGMLC-UHFFFAOYSA-N 0 0 393.808 4.012 20 5 GIBDRN COCCCOc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000126235483 823817633 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/nfs/dbraw/zinc/16/68/66/823166866.db2.gz AQGDMQFEKAHKPV-CYBMUJFWSA-N 0 0 398.394 4.048 20 5 GIBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264442 823167175 /nfs/dbraw/zinc/16/71/75/823167175.db2.gz WFAHWMMQSCILJB-QYOLQKOISA-N 0 0 395.868 4.211 20 5 GIBDRN C[C@H]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)C1 ZINC000571339867 823167758 /nfs/dbraw/zinc/16/77/58/823167758.db2.gz GXIMKQIRFUBECF-HOTGVXAUSA-N 0 0 377.448 4.136 20 5 GIBDRN COc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000121373599 823172592 /nfs/dbraw/zinc/17/25/92/823172592.db2.gz QISQWWZDWLQUOB-UHFFFAOYSA-N 0 0 379.210 4.235 20 5 GIBDRN O=C(N[C@@H]1CCCOc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121381152 823174088 /nfs/dbraw/zinc/17/40/88/823174088.db2.gz XCPZJMAZYOSINU-GOSISDBHSA-N 0 0 381.432 4.183 20 5 GIBDRN COc1ccc(CC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000571379376 823174873 /nfs/dbraw/zinc/17/48/73/823174873.db2.gz PKJRQAZIZLYSBT-NRFANRHFSA-N 0 0 380.444 4.290 20 5 GIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC000176310086 823178716 /nfs/dbraw/zinc/17/87/16/823178716.db2.gz VGCQPDZKVCWRSW-NSHDSACASA-N 0 0 394.884 4.189 20 5 GIBDRN CSc1cccc(C(=O)N2CCC(COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188080187 823183126 /nfs/dbraw/zinc/18/31/26/823183126.db2.gz BKHMNTQIRGZNHP-UHFFFAOYSA-N 0 0 386.473 4.248 20 5 GIBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000121455478 823187859 /nfs/dbraw/zinc/18/78/59/823187859.db2.gz JDEIYMQQZFWTHY-XIKOKIGWSA-N 0 0 389.249 4.119 20 5 GIBDRN COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176350018 823189314 /nfs/dbraw/zinc/18/93/14/823189314.db2.gz XQYPEMKTVWYQCB-STQMWFEESA-N 0 0 375.400 4.172 20 5 GIBDRN CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176365961 823192267 /nfs/dbraw/zinc/19/22/67/823192267.db2.gz YZSLBXUUTBBJKT-UHFFFAOYSA-N 0 0 379.825 4.274 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 ZINC000176395095 823198081 /nfs/dbraw/zinc/19/80/81/823198081.db2.gz XLVQWJHKBWGFDT-LLVKDONJSA-N 0 0 386.795 4.098 20 5 GIBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Cn1ccnc1 ZINC000176403229 823200718 /nfs/dbraw/zinc/20/07/18/823200718.db2.gz MBZWIHPMGQYOPT-OAHLLOKOSA-N 0 0 396.472 4.009 20 5 GIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000121542665 823202962 /nfs/dbraw/zinc/20/29/62/823202962.db2.gz AJRBUGSUQUXVMG-GFCCVEGCSA-N 0 0 376.384 4.022 20 5 GIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000188212556 823203969 /nfs/dbraw/zinc/20/39/69/823203969.db2.gz GITWYTHLWLHXCW-INIZCTEOSA-N 0 0 384.823 4.053 20 5 GIBDRN CC(C)OC(=O)NCc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000121557556 823205429 /nfs/dbraw/zinc/20/54/29/823205429.db2.gz LDSQQPNCYUBNFR-UHFFFAOYSA-N 0 0 391.811 4.135 20 5 GIBDRN Cc1sc(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000571598732 823205493 /nfs/dbraw/zinc/20/54/93/823205493.db2.gz RDSQPHNSEXTHSP-AWEZNQCLSA-N 0 0 395.484 4.489 20 5 GIBDRN CCCOc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000056746886 823205695 /nfs/dbraw/zinc/20/56/95/823205695.db2.gz VSGVSCXGRGSJCU-UHFFFAOYSA-N 0 0 398.463 4.046 20 5 GIBDRN Cc1nc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1-c1ccccc1 ZINC000571608299 823208000 /nfs/dbraw/zinc/20/80/00/823208000.db2.gz ZFOHPZXBZOHDHA-UHFFFAOYSA-N 0 0 399.410 4.403 20 5 GIBDRN COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000121582797 823210895 /nfs/dbraw/zinc/21/08/95/823210895.db2.gz UQLVVZTUQZSLFG-UHFFFAOYSA-N 0 0 379.756 4.034 20 5 GIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000571644406 823213853 /nfs/dbraw/zinc/21/38/53/823213853.db2.gz ROBRCEPJZWVGFS-GFCCVEGCSA-N 0 0 394.305 4.020 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccccc2N2CCCCC2)c1[N+](=O)[O-] ZINC000188303989 823216808 /nfs/dbraw/zinc/21/68/08/823216808.db2.gz DPALQYUCAGZOKC-UHFFFAOYSA-N 0 0 385.489 4.237 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571676085 823217692 /nfs/dbraw/zinc/21/76/92/823217692.db2.gz JKFRNUHIBUQUQV-MRXNPFEDSA-N 0 0 386.349 4.214 20 5 GIBDRN Cc1c(CC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-] ZINC000121629559 823219016 /nfs/dbraw/zinc/21/90/16/823219016.db2.gz TWSHCDYNQMRYEL-CQSZACIVSA-N 0 0 381.457 4.447 20 5 GIBDRN CC(C)(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000176505730 823223908 /nfs/dbraw/zinc/22/39/08/823223908.db2.gz CNYRCXLAWUAUOH-UHFFFAOYSA-N 0 0 399.834 4.497 20 5 GIBDRN O=[N+]([O-])c1cc(-c2nc(COc3ccccc3F)no2)cc(C(F)(F)F)c1 ZINC000188359751 823225575 /nfs/dbraw/zinc/22/55/75/823225575.db2.gz KNGFPBUPADLXBP-UHFFFAOYSA-N 0 0 383.257 4.382 20 5 GIBDRN CCc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000121678449 823228853 /nfs/dbraw/zinc/22/88/53/823228853.db2.gz LMPYQSFQGOPOQW-FQEVSTJZSA-N 0 0 379.391 4.211 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188392159 823232637 /nfs/dbraw/zinc/23/26/37/823232637.db2.gz AGSIOXUAWSPWBH-UHFFFAOYSA-N 0 0 382.313 4.101 20 5 GIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176544221 823233619 /nfs/dbraw/zinc/23/36/19/823233619.db2.gz LWUJLYLHBCOJLE-GXTWGEPZSA-N 0 0 387.299 4.151 20 5 GIBDRN Cc1ccccc1C1(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000056948611 823234197 /nfs/dbraw/zinc/23/41/97/823234197.db2.gz LWAAGHCORWWOPU-KRWDZBQOSA-N 0 0 397.475 4.012 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176548364 823234587 /nfs/dbraw/zinc/23/45/87/823234587.db2.gz VCWPTEDYPNUAHW-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000121747566 823242374 /nfs/dbraw/zinc/24/23/74/823242374.db2.gz LJVBLSFWPBMIGD-SJLPKXTDSA-N 0 0 390.443 4.107 20 5 GIBDRN C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccccc1 ZINC000571820019 823239290 /nfs/dbraw/zinc/23/92/90/823239290.db2.gz MHEPTWDWBPETCF-JLTOFOAXSA-N 0 0 378.432 4.021 20 5 GIBDRN CCc1cc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(C)n1 ZINC000571832621 823241536 /nfs/dbraw/zinc/24/15/36/823241536.db2.gz XGCGQXXQTJBODF-UHFFFAOYSA-N 0 0 378.388 4.300 20 5 GIBDRN Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3F)s2)cs1 ZINC000121747200 823242015 /nfs/dbraw/zinc/24/20/15/823242015.db2.gz ZYWYTMSVLRFREK-UHFFFAOYSA-N 0 0 391.449 4.200 20 5 GIBDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176584514 823242097 /nfs/dbraw/zinc/24/20/97/823242097.db2.gz CKWPGUVALCPJNH-QGZVFWFLSA-N 0 0 384.457 4.314 20 5 GIBDRN O=[N+]([O-])c1ccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459668776 823246318 /nfs/dbraw/zinc/24/63/18/823246318.db2.gz TZNQUAOVOCXMKZ-HNNXBMFYSA-N 0 0 392.805 4.429 20 5 GIBDRN COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000409556236 823248826 /nfs/dbraw/zinc/24/88/26/823248826.db2.gz VXTFXNXUZRGKTG-UHFFFAOYSA-N 0 0 388.445 4.063 20 5 GIBDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000409566244 823250508 /nfs/dbraw/zinc/25/05/08/823250508.db2.gz VZGHVNDTFCUZSZ-HNNXBMFYSA-N 0 0 397.765 4.436 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000409568924 823251081 /nfs/dbraw/zinc/25/10/81/823251081.db2.gz ACCVJTSJWPSFPX-UHFFFAOYSA-N 0 0 387.411 4.229 20 5 GIBDRN O=[N+]([O-])c1c(F)cccc1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000057138668 823253759 /nfs/dbraw/zinc/25/37/59/823253759.db2.gz SSDYSCRUBMABKN-UHFFFAOYSA-N 0 0 384.333 4.229 20 5 GIBDRN O=C(c1ccsc1)N1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057139728 823254102 /nfs/dbraw/zinc/25/41/02/823254102.db2.gz RUWLEXJWAGFBAA-UHFFFAOYSA-N 0 0 399.394 4.028 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ccc(F)cc1 ZINC000571937654 823257124 /nfs/dbraw/zinc/25/71/24/823257124.db2.gz FUSJPBVKMCFQEE-FQEVSTJZSA-N 0 0 396.422 4.304 20 5 GIBDRN 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ZINC000003509665 817473934 /nfs/dbraw/zinc/47/39/34/817473934.db2.gz WOVFATQZEPJGAD-CQSZACIVSA-N 0 0 385.416 4.086 20 5 GIBDRN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc([N+](=O)[O-])cc1Cl ZINC000003512591 817474961 /nfs/dbraw/zinc/47/49/61/817474961.db2.gz RZOWVMSBTGDAPP-UHFFFAOYSA-N 0 0 399.786 4.200 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(N2CCCCC2)cc1 ZINC000121880910 823269234 /nfs/dbraw/zinc/26/92/34/823269234.db2.gz BNEJCJDTFGBVCW-UHFFFAOYSA-N 0 0 378.432 4.248 20 5 GIBDRN Cc1nc2ccccc2c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000004221293 817510699 /nfs/dbraw/zinc/51/06/99/817510699.db2.gz QIUCZWPGYFXKRN-UHFFFAOYSA-N 0 0 379.401 4.189 20 5 GIBDRN CCn1c2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004289401 817518430 /nfs/dbraw/zinc/51/84/30/817518430.db2.gz BPMUMCSQRGLZJM-UHFFFAOYSA-N 0 0 390.852 4.349 20 5 GIBDRN O=C(COC(=O)c1cccc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004836615 817536689 /nfs/dbraw/zinc/53/66/89/817536689.db2.gz QBLXUKHLAYRYGW-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN COc1ccc(C(=O)OCCOc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000004846339 817537258 /nfs/dbraw/zinc/53/72/58/817537258.db2.gz JIYWDBSAXLVYKC-UHFFFAOYSA-N 0 0 386.187 4.146 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCOc2c(Br)cccc21 ZINC000409642200 823271158 /nfs/dbraw/zinc/27/11/58/823271158.db2.gz RMAVWBWJFZGVBT-LLVKDONJSA-N 0 0 384.617 4.341 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005077178 817549273 /nfs/dbraw/zinc/54/92/73/817549273.db2.gz FNALFDBQZVXRMX-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nn1C(C)C ZINC000459916678 823271772 /nfs/dbraw/zinc/27/17/72/823271772.db2.gz LBNPNZQCWSWPPX-UHFFFAOYSA-N 0 0 385.449 4.365 20 5 GIBDRN Cc1c(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121894392 823271915 /nfs/dbraw/zinc/27/19/15/823271915.db2.gz QTMGADFEISYRLU-GOSISDBHSA-N 0 0 395.371 4.232 20 5 GIBDRN O=C(CCc1nc2ccccc2s1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176703049 823272043 /nfs/dbraw/zinc/27/20/43/823272043.db2.gz UJCGEKCFKFKCGU-UHFFFAOYSA-N 0 0 378.413 4.324 20 5 GIBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000572037489 823272397 /nfs/dbraw/zinc/27/23/97/823272397.db2.gz JUODDAZLZWNOPZ-APPDUMDISA-N 0 0 378.375 4.317 20 5 GIBDRN CSc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000005424011 817582035 /nfs/dbraw/zinc/58/20/35/817582035.db2.gz AZXUAUSRWPKVJC-UHFFFAOYSA-N 0 0 376.415 4.390 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005484845 817588519 /nfs/dbraw/zinc/58/85/19/817588519.db2.gz ZROLNILTHZNIFM-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000005610921 817599072 /nfs/dbraw/zinc/59/90/72/817599072.db2.gz FXIVJMIVEDODIM-UHFFFAOYSA-N 0 0 396.321 4.026 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCSc2ccc(F)cc21 ZINC000572075454 823278401 /nfs/dbraw/zinc/27/84/01/823278401.db2.gz VFFRJDQBBAVHBT-UHFFFAOYSA-N 0 0 382.363 4.084 20 5 GIBDRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cc([N+](=O)[O-])c[nH]1 ZINC000572076547 823278435 /nfs/dbraw/zinc/27/84/35/823278435.db2.gz IRWDPJVBDOFYSG-UHFFFAOYSA-N 0 0 382.323 4.318 20 5 GIBDRN Cc1onc(C2CC2)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000460012449 823278519 /nfs/dbraw/zinc/27/85/19/823278519.db2.gz MFHVTLWXWUSFNG-UHFFFAOYSA-N 0 0 384.417 4.453 20 5 GIBDRN Cc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000005754074 817615227 /nfs/dbraw/zinc/61/52/27/817615227.db2.gz WXFDOLSNOFHMCR-UHFFFAOYSA-N 0 0 388.836 4.251 20 5 GIBDRN O=C(Nc1ccc(F)cc1)c1cc(C(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000005863555 817624320 /nfs/dbraw/zinc/62/43/20/817624320.db2.gz HWWXTRSAIRTMNM-UHFFFAOYSA-N 0 0 397.337 4.378 20 5 GIBDRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N[C@H]1CCCc2ccccc21 ZINC000006027857 817641813 /nfs/dbraw/zinc/64/18/13/817641813.db2.gz IRGURPQSHXOZRC-HNNXBMFYSA-N 0 0 399.497 4.490 20 5 GIBDRN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C ZINC000006027862 817641841 /nfs/dbraw/zinc/64/18/41/817641841.db2.gz HBRZJMYHXIVRBD-UHFFFAOYSA-N 0 0 389.458 4.327 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057282457 823275850 /nfs/dbraw/zinc/27/58/50/823275850.db2.gz PLUOPMUUCLKOFO-OAHLLOKOSA-N 0 0 377.400 4.060 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000006062458 817646549 /nfs/dbraw/zinc/64/65/49/817646549.db2.gz NVOLLKSLFPDIOF-UHFFFAOYSA-N 0 0 390.701 4.164 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000176718292 823276208 /nfs/dbraw/zinc/27/62/08/823276208.db2.gz RJXPBWPVLCYBAY-KRWDZBQOSA-N 0 0 396.491 4.406 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(OC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176721572 823276765 /nfs/dbraw/zinc/27/67/65/823276765.db2.gz XTMFXLCODATIST-OAHLLOKOSA-N 0 0 375.469 4.097 20 5 GIBDRN COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000176721932 823276842 /nfs/dbraw/zinc/27/68/42/823276842.db2.gz LMSPUKRBVSZQAG-OAHLLOKOSA-N 0 0 387.436 4.120 20 5 GIBDRN COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176722782 823277054 /nfs/dbraw/zinc/27/70/54/823277054.db2.gz DNQYWLDDJGZRCJ-LLVKDONJSA-N 0 0 395.362 4.396 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2OC(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121921842 823277376 /nfs/dbraw/zinc/27/73/76/823277376.db2.gz QWCXUVVXBLGWOJ-UHFFFAOYSA-N 0 0 399.281 4.271 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 ZINC000006223273 817668915 /nfs/dbraw/zinc/66/89/15/817668915.db2.gz HFMMSGPHNRFGFB-UHFFFAOYSA-N 0 0 378.384 4.191 20 5 GIBDRN COc1ccc(Nc2nc(COC(=O)c3cccc([N+](=O)[O-])c3C)cs2)cc1 ZINC000006365925 817683597 /nfs/dbraw/zinc/68/35/97/817683597.db2.gz PDYOBXHJFKHOFG-UHFFFAOYSA-N 0 0 399.428 4.469 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000176734912 823281087 /nfs/dbraw/zinc/28/10/87/823281087.db2.gz MFNOCXUZZNWUFT-NSHDSACASA-N 0 0 396.241 4.161 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccc(Cl)cc2o1 ZINC000006399427 817687555 /nfs/dbraw/zinc/68/75/55/817687555.db2.gz DUOMPIDBHAZTOQ-UHFFFAOYSA-N 0 0 377.809 4.429 20 5 GIBDRN O=C(/C=C/c1cc(Br)ccc1F)OCc1ccc([N+](=O)[O-])cc1 ZINC000006431675 817691258 /nfs/dbraw/zinc/69/12/58/817691258.db2.gz ZMLWCFDWXQQGJD-FPYGCLRLSA-N 0 0 380.169 4.253 20 5 GIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176736993 823281749 /nfs/dbraw/zinc/28/17/49/823281749.db2.gz LPSVFDHFPAZVGS-CVEARBPZSA-N 0 0 385.464 4.245 20 5 GIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(Cl)cc1 ZINC000006472459 817696770 /nfs/dbraw/zinc/69/67/70/817696770.db2.gz QDUKJJLFANIPAJ-UHFFFAOYSA-N 0 0 396.852 4.215 20 5 GIBDRN CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006515878 817699369 /nfs/dbraw/zinc/69/93/69/817699369.db2.gz MRTBOCXQTNTFBB-UHFFFAOYSA-N 0 0 390.823 4.341 20 5 GIBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000006535815 817702479 /nfs/dbraw/zinc/70/24/79/817702479.db2.gz MWPQAZBBDQGRFO-UHFFFAOYSA-N 0 0 390.701 4.164 20 5 GIBDRN CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000460077864 823283818 /nfs/dbraw/zinc/28/38/18/823283818.db2.gz GGZBTOKGVIYSNI-OAHLLOKOSA-N 0 0 376.384 4.022 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000176751831 823284350 /nfs/dbraw/zinc/28/43/50/823284350.db2.gz MTDYKZXAEREMDG-VFNWGFHPSA-N 0 0 393.443 4.150 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(CCO)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000176753079 823284517 /nfs/dbraw/zinc/28/45/17/823284517.db2.gz MYWNJKKBQUSGLZ-JXFKEZNVSA-N 0 0 397.475 4.046 20 5 GIBDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000007035882 817743734 /nfs/dbraw/zinc/74/37/34/817743734.db2.gz QMFLLINEYYGROG-LLVKDONJSA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)cc2)c(C)c1[N+](=O)[O-] ZINC000572108294 823284740 /nfs/dbraw/zinc/28/47/40/823284740.db2.gz PMFRQSQOOAXKMD-RTBURBONSA-N 0 0 396.491 4.107 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc(CNc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000176764038 823286646 /nfs/dbraw/zinc/28/66/46/823286646.db2.gz DPAIAWONFRKVHC-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN Cc1c(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000176763940 823286670 /nfs/dbraw/zinc/28/66/70/823286670.db2.gz FTQSOVPYDCFCDR-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007108789 817762132 /nfs/dbraw/zinc/76/21/32/817762132.db2.gz QARGTUASKHEEQQ-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN O=C1c2ccccc2N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N1Cc1ccco1 ZINC000007112610 817763603 /nfs/dbraw/zinc/76/36/03/817763603.db2.gz LPFSDRMMVWQBMS-YVNCXZRQSA-N 0 0 375.384 4.295 20 5 GIBDRN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1CC(F)(F)F ZINC000007113402 817764026 /nfs/dbraw/zinc/76/40/26/817764026.db2.gz LZIYTGFZXMSDSX-CQSZACIVSA-N 0 0 385.729 4.377 20 5 GIBDRN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000007128244 817768023 /nfs/dbraw/zinc/76/80/23/817768023.db2.gz QWKPUVVTKOQXPX-AWEZNQCLSA-N 0 0 398.415 4.070 20 5 GIBDRN COC(=O)C[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000460115414 823287572 /nfs/dbraw/zinc/28/75/72/823287572.db2.gz XIUBFFZRCGKOJU-SFHVURJKSA-N 0 0 398.459 4.235 20 5 GIBDRN O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000007202222 817791738 /nfs/dbraw/zinc/79/17/38/817791738.db2.gz MWIVIFMPYIGHKG-UHFFFAOYSA-N 0 0 382.416 4.152 20 5 GIBDRN C[C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000057397906 823290468 /nfs/dbraw/zinc/29/04/68/823290468.db2.gz PWYXVAYDUHXLGF-ZDUSSCGKSA-N 0 0 380.366 4.466 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 ZINC000007400057 817830888 /nfs/dbraw/zinc/83/08/88/817830888.db2.gz AHQVTSCYQNNVTD-SNVBAGLBSA-N 0 0 381.251 4.477 20 5 GIBDRN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000007428280 817838338 /nfs/dbraw/zinc/83/83/38/817838338.db2.gz LXDSFANEWMOXAG-UHFFFAOYSA-N 0 0 381.624 4.356 20 5 GIBDRN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000007464367 817848141 /nfs/dbraw/zinc/84/81/41/817848141.db2.gz OYIGFTKXMQQEKS-LLVKDONJSA-N 0 0 383.231 4.466 20 5 GIBDRN CCn1c(SCc2ccc(C(=O)OC)o2)nc2cc3ccccc3cc2c1=O ZINC000007577873 817873346 /nfs/dbraw/zinc/87/33/46/817873346.db2.gz KMDRKPCJGNHQCU-UHFFFAOYSA-N 0 0 394.452 4.242 20 5 GIBDRN C[C@@H](OC(=O)c1cccc2ccccc21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000007604098 817877480 /nfs/dbraw/zinc/87/74/80/817877480.db2.gz KYGCRCHGQGMFLL-GFCCVEGCSA-N 0 0 382.347 4.071 20 5 GIBDRN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1cccc(F)c1 ZINC000007625978 817882283 /nfs/dbraw/zinc/88/22/83/817882283.db2.gz UMMVKGCTYHJZGG-JTQLQIEISA-N 0 0 388.376 4.133 20 5 GIBDRN COc1cc(-c2nc(-c3ccccc3Br)no2)ccc1[N+](=O)[O-] ZINC000460143945 823296059 /nfs/dbraw/zinc/29/60/59/823296059.db2.gz RQMHCJVNBDVSOI-UHFFFAOYSA-N 0 0 376.166 4.083 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ZINC000016017116 818385174 /nfs/dbraw/zinc/38/51/74/818385174.db2.gz LZSZYJVPRUMUFV-UHFFFAOYSA-N 0 0 382.420 4.016 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] ZINC000016019028 818385579 /nfs/dbraw/zinc/38/55/79/818385579.db2.gz DPIJOERVIOHLDB-UHFFFAOYSA-N 0 0 383.332 4.378 20 5 GIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000016130121 818395733 /nfs/dbraw/zinc/39/57/33/818395733.db2.gz XZWCMXCLZMALTF-UHFFFAOYSA-N 0 0 380.731 4.068 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016141622 818397065 /nfs/dbraw/zinc/39/70/65/818397065.db2.gz KRMDVQGCRVDCPT-LJQANCHMSA-N 0 0 386.473 4.449 20 5 GIBDRN Cc1c(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000176958370 823334480 /nfs/dbraw/zinc/33/44/80/823334480.db2.gz DQALGUQFICOCAO-GOSISDBHSA-N 0 0 383.448 4.159 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc3ccccc32)c1 ZINC000016195853 818404723 /nfs/dbraw/zinc/40/47/23/818404723.db2.gz NMTJNWWJVZEMGL-UHFFFAOYSA-N 0 0 396.424 4.265 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000016197131 818405535 /nfs/dbraw/zinc/40/55/35/818405535.db2.gz SDNHBVRIJDESHK-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(-c3cccs3)on2)c1 ZINC000016197108 818405651 /nfs/dbraw/zinc/40/56/51/818405651.db2.gz GHTZWDZWXUTFKX-UHFFFAOYSA-N 0 0 376.415 4.390 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCSc2ccc(F)cc2)c1 ZINC000016201609 818406263 /nfs/dbraw/zinc/40/62/63/818406263.db2.gz VAGCXTSHMMGODI-UHFFFAOYSA-N 0 0 380.466 4.368 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000122303460 823335369 /nfs/dbraw/zinc/33/53/69/823335369.db2.gz JGCCJCLMEJNPOO-ZDUSSCGKSA-N 0 0 394.859 4.205 20 5 GIBDRN O=C(C/C=C/c1cccc(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176960586 823335415 /nfs/dbraw/zinc/33/54/15/823335415.db2.gz NEXFBLWSDLHJST-DUXPYHPUSA-N 0 0 384.407 4.207 20 5 GIBDRN Cc1cc(C)c(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000016312779 818421775 /nfs/dbraw/zinc/42/17/75/818421775.db2.gz ADGVGJCVIJZZCU-UHFFFAOYSA-N 0 0 375.856 4.244 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NCc1ccccc1F ZINC000016325214 818423749 /nfs/dbraw/zinc/42/37/49/818423749.db2.gz NYYSKEJYKUVKAX-UHFFFAOYSA-N 0 0 386.404 4.158 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1Br ZINC000016360442 818429125 /nfs/dbraw/zinc/42/91/25/818429125.db2.gz LDDAKYPRQSRQEK-UHFFFAOYSA-N 0 0 381.251 4.397 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000409884579 823336015 /nfs/dbraw/zinc/33/60/15/823336015.db2.gz FVCNZRJNWKGSCN-LLVKDONJSA-N 0 0 383.326 4.419 20 5 GIBDRN CCNc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000016397309 818434717 /nfs/dbraw/zinc/43/47/17/818434717.db2.gz FNWFVYJKASPJHY-GFCCVEGCSA-N 0 0 397.460 4.089 20 5 GIBDRN CC(C)(C)c1ccc(OCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000016496372 818449848 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COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000017366986 818512927 /nfs/dbraw/zinc/51/29/27/818512927.db2.gz GKPRFYHYVSXJAH-UHFFFAOYSA-N 0 0 388.383 4.170 20 5 GIBDRN CC(C)n1ncc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cnc21 ZINC000017573679 818519942 /nfs/dbraw/zinc/51/99/42/818519942.db2.gz NODOLYPECDDHND-UHFFFAOYSA-N 0 0 381.417 4.387 20 5 GIBDRN CSc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000017603803 818522078 /nfs/dbraw/zinc/52/20/78/818522078.db2.gz XWUZVYWRHMJANW-UHFFFAOYSA-N 0 0 376.503 4.288 20 5 GIBDRN Cc1occc1-c1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000017654563 818522434 /nfs/dbraw/zinc/52/24/34/818522434.db2.gz KQKCTSIRBLBXQP-SNVBAGLBSA-N 0 0 399.388 4.450 20 5 GIBDRN O=C(NCCc1ccco1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000017703420 818524766 /nfs/dbraw/zinc/52/47/66/818524766.db2.gz WEMGPGMCQNXYGN-UHFFFAOYSA-N 0 0 399.834 4.426 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000017967518 818536674 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C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346861 820086660 /nfs/dbraw/zinc/08/66/60/820086660.db2.gz WOGSSQFZIHDPHM-LLVKDONJSA-N 0 0 382.247 4.361 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccccc2)o1 ZINC000026365116 820090073 /nfs/dbraw/zinc/09/00/73/820090073.db2.gz CCJMKYIMVYQWFJ-UHFFFAOYSA-N 0 0 384.417 4.074 20 5 GIBDRN C[C@H](Sc1ncc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026371139 820091341 /nfs/dbraw/zinc/09/13/41/820091341.db2.gz RHHFKXNVFHABAU-JTQLQIEISA-N 0 0 376.825 4.015 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 ZINC000026409117 820094219 /nfs/dbraw/zinc/09/42/19/820094219.db2.gz QJZXAOQMUHYGSF-UHFFFAOYSA-N 0 0 398.444 4.383 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000410293578 823452476 /nfs/dbraw/zinc/45/24/76/823452476.db2.gz WASRVRHBXXCFFM-CHWSQXEVSA-N 0 0 392.814 4.171 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000026488093 820104450 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COc1cccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1[N+](=O)[O-] ZINC000185324498 822765960 /nfs/dbraw/zinc/76/59/60/822765960.db2.gz WAUPUJKRLNICLS-CQSZACIVSA-N 0 0 398.394 4.177 20 5 GIBDRN Cc1cnc([C@H](N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)s1 ZINC000185324032 822765969 /nfs/dbraw/zinc/76/59/69/822765969.db2.gz KYLHXMJAYLPHLM-XHDPSFHLSA-N 0 0 385.449 4.212 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000051582536 822766316 /nfs/dbraw/zinc/76/63/16/822766316.db2.gz ILSBAEIMMOKEAG-GOSISDBHSA-N 0 0 387.411 4.255 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000185338399 822768154 /nfs/dbraw/zinc/76/81/54/822768154.db2.gz NEMGEULJDSIZBF-HNNXBMFYSA-N 0 0 389.521 4.276 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2CCCC3(CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000185351154 822769695 /nfs/dbraw/zinc/76/96/95/822769695.db2.gz LGMHABIMUAUJJR-HNNXBMFYSA-N 0 0 380.448 4.179 20 5 GIBDRN O=[N+]([O-])c1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cs1 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ZINC000174464395 822793862 /nfs/dbraw/zinc/79/38/62/822793862.db2.gz UDMBNGGBFJJYAE-GTNSWQLSSA-N 0 0 393.802 4.381 20 5 GIBDRN C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2cccc(F)c2O1 ZINC000185538699 822794691 /nfs/dbraw/zinc/79/46/91/822794691.db2.gz NMNFUBFHSIGHGV-NSHDSACASA-N 0 0 399.403 4.285 20 5 GIBDRN C[C@H](Nc1ncccc1[N+](=O)[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000052314136 822795929 /nfs/dbraw/zinc/79/59/29/822795929.db2.gz RBWBFMWDAOKAMX-AWEZNQCLSA-N 0 0 394.406 4.483 20 5 GIBDRN O=C(N[C@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000185557560 822796353 /nfs/dbraw/zinc/79/63/53/822796353.db2.gz NOMJZQYGHCRIFE-HNNXBMFYSA-N 0 0 378.494 4.176 20 5 GIBDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052324857 822796397 /nfs/dbraw/zinc/79/63/97/822796397.db2.gz HBMYWDOFUYLNQZ-OAHLLOKOSA-N 0 0 378.450 4.025 20 5 GIBDRN CC[C@@H](C)NC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000052358170 822797132 /nfs/dbraw/zinc/79/71/32/822797132.db2.gz 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Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1scnc1C(C)C ZINC000456445436 822807487 /nfs/dbraw/zinc/80/74/87/822807487.db2.gz YDPILTSBAUZREX-UHFFFAOYSA-N 0 0 384.255 4.498 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2scnc2C(C)C)cc1[N+](=O)[O-] ZINC000456455395 822808371 /nfs/dbraw/zinc/80/83/71/822808371.db2.gz NAJDUCWBUXQTSW-UHFFFAOYSA-N 0 0 381.479 4.055 20 5 GIBDRN CC(=O)c1ccc(NCc2c(C)nn(Cc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000052720239 822808524 /nfs/dbraw/zinc/80/85/24/822808524.db2.gz BIBBONMUHGZRHT-UHFFFAOYSA-N 0 0 378.432 4.271 20 5 GIBDRN COc1cc(C(=O)Nc2scnc2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000456458266 822808586 /nfs/dbraw/zinc/80/85/86/822808586.db2.gz QCEMHHTXOAXKCL-UHFFFAOYSA-N 0 0 387.364 4.037 20 5 GIBDRN CCc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)o1 ZINC000456490576 822810148 /nfs/dbraw/zinc/81/01/48/822810148.db2.gz NJZKRQLSZBTSPI-UHFFFAOYSA-N 0 0 389.477 4.358 20 5 GIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)ccc(F)c1F ZINC000185690931 822810522 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Cn1cnc(CNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)n1 ZINC000125324482 823668024 /nfs/dbraw/zinc/66/80/24/823668024.db2.gz OSZILDFKNSWLOO-UHFFFAOYSA-N 0 0 395.463 4.103 20 5 GIBDRN CC[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)CC(F)(F)F ZINC000412643312 823669888 /nfs/dbraw/zinc/66/98/88/823669888.db2.gz AUIROAJWJQCYPF-LBPRGKRZSA-N 0 0 376.378 4.390 20 5 GIBDRN C[C@@H]1C[C@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@H](C)O1 ZINC000412645817 823670022 /nfs/dbraw/zinc/67/00/22/823670022.db2.gz FVCKNUUSAIOHOX-IIAWOOMASA-N 0 0 386.473 4.289 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1ccc(Br)o1 ZINC000191321342 823671432 /nfs/dbraw/zinc/67/14/32/823671432.db2.gz GXUMZTRHZIITLK-UHFFFAOYSA-N 0 0 382.214 4.231 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000191321255 823671476 /nfs/dbraw/zinc/67/14/76/823671476.db2.gz RKHQBMQWTOEFHX-UHFFFAOYSA-N 0 0 382.395 4.422 20 5 GIBDRN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc([N+](=O)[O-])cc1F ZINC000063447067 823671909 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CC(C)NC(=O)c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000063736042 823692700 /nfs/dbraw/zinc/69/27/00/823692700.db2.gz RZGMMQCNYYRQTQ-UHFFFAOYSA-N 0 0 392.253 4.108 20 5 GIBDRN Cc1cc(N2CCC(C(=O)N(C)C(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461780412 823694648 /nfs/dbraw/zinc/69/46/48/823694648.db2.gz TZVLHLXBFGHGES-UHFFFAOYSA-N 0 0 387.402 4.005 20 5 GIBDRN COc1cccc(OC)c1OC1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461780917 823694695 /nfs/dbraw/zinc/69/46/95/823694695.db2.gz QAETUPDWPLYENZ-UHFFFAOYSA-N 0 0 390.411 4.107 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000191523565 823695124 /nfs/dbraw/zinc/69/51/24/823695124.db2.gz OWKOOGCJSIQJED-UHFFFAOYSA-N 0 0 380.404 4.165 20 5 GIBDRN CC(C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461804929 823697999 /nfs/dbraw/zinc/69/79/99/823697999.db2.gz DQRXKOBPDSNRMI-IBGZPJMESA-N 0 0 399.495 4.048 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000125710977 823698985 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4.312 20 5 GIBDRN C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C2CCCCC2)no1 ZINC000191581351 823703957 /nfs/dbraw/zinc/70/39/57/823703957.db2.gz SLKRXEUCJNTEGU-LLVKDONJSA-N 0 0 396.394 4.478 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000125754736 823704692 /nfs/dbraw/zinc/70/46/92/823704692.db2.gz MTELDZFLHGDLII-GUYCJALGSA-N 0 0 387.461 4.340 20 5 GIBDRN CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000413095464 823706016 /nfs/dbraw/zinc/70/60/16/823706016.db2.gz RWMSPOXCGQVUIX-UHFFFAOYSA-N 0 0 399.447 4.163 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000125789166 823711169 /nfs/dbraw/zinc/71/11/69/823711169.db2.gz GCFXUOQZCQCVID-LBPRGKRZSA-N 0 0 383.429 4.463 20 5 GIBDRN CCOc1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000125794647 823712042 /nfs/dbraw/zinc/71/20/42/823712042.db2.gz DZCSJHSYZVIWMX-CYBMUJFWSA-N 0 0 381.388 4.140 20 5 GIBDRN C[C@H](NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000413149848 823716127 /nfs/dbraw/zinc/71/61/27/823716127.db2.gz VLQQVHFNVMJQEX-JXFKEZNVSA-N 0 0 395.459 4.219 20 5 GIBDRN Cc1c(CC(=O)Nc2cccc(COCCOC(C)C)c2)cccc1[N+](=O)[O-] ZINC000163502578 823716565 /nfs/dbraw/zinc/71/65/65/823716565.db2.gz JLAUPZPBRMFACF-UHFFFAOYSA-N 0 0 386.448 4.026 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccccc2OC2CCCC2)c1F ZINC000413188494 823723880 /nfs/dbraw/zinc/72/38/80/823723880.db2.gz UTOXAFFEXSFUAW-UHFFFAOYSA-N 0 0 388.395 4.245 20 5 GIBDRN C[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1 ZINC000461859757 823724160 /nfs/dbraw/zinc/72/41/60/823724160.db2.gz UOIIGYXXXOMSRV-HHXXYDBFSA-N 0 0 399.495 4.047 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000413212482 823728812 /nfs/dbraw/zinc/72/88/12/823728812.db2.gz XCTJOZBHCWSHKU-RBUKOAKNSA-N 0 0 395.459 4.255 20 5 GIBDRN COc1ccc([C@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413219325 823730915 /nfs/dbraw/zinc/73/09/15/823730915.db2.gz MDGYMEOEOKVZBN-MEBBXXQBSA-N 0 0 385.342 4.205 20 5 GIBDRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413229865 823734170 /nfs/dbraw/zinc/73/41/70/823734170.db2.gz ICVMWLOKIRJKTC-CEXWTWQISA-N 0 0 396.443 4.285 20 5 GIBDRN CSc1ccc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC000125877511 823735016 /nfs/dbraw/zinc/73/50/16/823735016.db2.gz DLMXQBBXBXVVNU-UHFFFAOYSA-N 0 0 380.429 4.050 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)c2c1 ZINC000413236980 823735431 /nfs/dbraw/zinc/73/54/31/823735431.db2.gz GYLYDWXJVZQJRU-AWEZNQCLSA-N 0 0 391.353 4.200 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(NCCO[C@@H]3CCCCO3)c([N+](=O)[O-])c2)cc1 ZINC000461881054 823736090 /nfs/dbraw/zinc/73/60/90/823736090.db2.gz HWEOBHXCQIXLMM-HXUWFJFHSA-N 0 0 399.447 4.111 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3Cl)CCCCC2)n1 ZINC000191695866 823737859 /nfs/dbraw/zinc/73/78/59/823737859.db2.gz YUYZVZDFMGFXMR-UHFFFAOYSA-N 0 0 390.871 4.097 20 5 GIBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3F)C2)cc1OC(F)F ZINC000461889612 823739953 /nfs/dbraw/zinc/73/99/53/823739953.db2.gz OXTWKMRLLRCXAN-GFCCVEGCSA-N 0 0 381.354 4.274 20 5 GIBDRN O=C(c1ccc(F)cc1)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413261896 823740756 /nfs/dbraw/zinc/74/07/56/823740756.db2.gz GUBILPQQJDRTED-UHFFFAOYSA-N 0 0 397.328 4.247 20 5 GIBDRN COc1ccccc1-c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000064055695 823741580 /nfs/dbraw/zinc/74/15/80/823741580.db2.gz IDDLZMNRJBTNLL-UHFFFAOYSA-N 0 0 394.412 4.461 20 5 GIBDRN CC(C)c1ccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000125914496 823743116 /nfs/dbraw/zinc/74/31/16/823743116.db2.gz JKQOFTKWIPRBDG-HNNXBMFYSA-N 0 0 390.505 4.315 20 5 GIBDRN CC(C)(C)N(Cc1ccccn1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191711249 823743610 /nfs/dbraw/zinc/74/36/10/823743610.db2.gz NUYKWILLEMMXHB-UHFFFAOYSA-N 0 0 396.491 4.034 20 5 GIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000413296963 823747639 /nfs/dbraw/zinc/74/76/39/823747639.db2.gz DMUJDGDQUXKCSO-BONVTDFDSA-N 0 0 385.317 4.114 20 5 GIBDRN O=C(Cc1c[nH]c2cc(Cl)ccc12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163781717 823747987 /nfs/dbraw/zinc/74/79/87/823747987.db2.gz FGHZGJYTBKAGKM-UHFFFAOYSA-N 0 0 383.835 4.463 20 5 GIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl ZINC000064126914 823751171 /nfs/dbraw/zinc/75/11/71/823751171.db2.gz DJLMMNRNULTUHK-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCSc2ccccc21 ZINC000064127963 823751501 /nfs/dbraw/zinc/75/15/01/823751501.db2.gz FNMGZIRUEOGDEB-UHFFFAOYSA-N 0 0 379.235 4.110 20 5 GIBDRN CCCCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000064128865 823752331 /nfs/dbraw/zinc/75/23/31/823752331.db2.gz WWRSLQSVYFOFNV-UHFFFAOYSA-N 0 0 383.164 4.162 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)OCCc3ccccc34)c2c1 ZINC000413333482 823754569 /nfs/dbraw/zinc/75/45/69/823754569.db2.gz MWFIQEKPZMNWEG-UHFFFAOYSA-N 0 0 375.428 4.211 20 5 GIBDRN O=c1[nH]cnc2cc(N3CCC[C@H](c4ccc(F)cc4)CC3)c([N+](=O)[O-])cc12 ZINC000574543196 823760055 /nfs/dbraw/zinc/76/00/55/823760055.db2.gz VSWOXENQJZKGSS-ZDUSSCGKSA-N 0 0 382.395 4.157 20 5 GIBDRN Cc1cc(N2CCC(c3nncn3C3CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936153 823765173 /nfs/dbraw/zinc/76/51/73/823765173.db2.gz MFSUDDWXYJZABP-UHFFFAOYSA-N 0 0 395.385 4.232 20 5 GIBDRN Cc1cc(NCCc2cc(-c3ccncc3)n[nH]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461939522 823765956 /nfs/dbraw/zinc/76/59/56/823765956.db2.gz GLPKABSCOZQRAR-UHFFFAOYSA-N 0 0 391.353 4.362 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccccc1[N+](=O)[O-] ZINC000461945580 823767675 /nfs/dbraw/zinc/76/76/75/823767675.db2.gz LEBZLMNKDXQDNK-KSSFIOAISA-N 0 0 397.479 4.344 20 5 GIBDRN Cc1cc(N[C@H]2CCc3nc(C(C)C)nn3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948005 823768771 /nfs/dbraw/zinc/76/87/71/823768771.db2.gz LRSPKPWQBBXTCU-NSHDSACASA-N 0 0 383.374 4.064 20 5 GIBDRN Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])nc1C ZINC000413404401 823769892 /nfs/dbraw/zinc/76/98/92/823769892.db2.gz OMUSBWFNHYILMX-UHFFFAOYSA-N 0 0 376.285 4.268 20 5 GIBDRN C[C@H](CCCc1cccnc1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000413406154 823770384 /nfs/dbraw/zinc/77/03/84/823770384.db2.gz YLBBKLOXEUZDPH-MRXNPFEDSA-N 0 0 382.464 4.049 20 5 GIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)ccc1C(=O)NC(C)C ZINC000413410663 823771513 /nfs/dbraw/zinc/77/15/13/823771513.db2.gz VUIGRCSDZBAHLS-UHFFFAOYSA-N 0 0 399.447 4.081 20 5 GIBDRN Cc1cc(N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000461962492 823773056 /nfs/dbraw/zinc/77/30/56/823773056.db2.gz ZVIVSVPSSFADNQ-CJNGLKHVSA-N 0 0 384.329 4.373 20 5 GIBDRN NC(=O)c1cccc(N2CCC(c3cccc(Cl)c3Cl)CC2)c1[N+](=O)[O-] ZINC000461987818 823784284 /nfs/dbraw/zinc/78/42/84/823784284.db2.gz XBHYDFZEWLXSLW-UHFFFAOYSA-N 0 0 394.258 4.385 20 5 GIBDRN C[C@@H](C(=O)Nc1cc2c(cc1Cl)CCC2=O)c1ccc([N+](=O)[O-])cc1F ZINC000191831212 823789234 /nfs/dbraw/zinc/78/92/34/823789234.db2.gz CSCKMBYSKURARR-SECBINFHSA-N 0 0 376.771 4.258 20 5 GIBDRN Cc1ccccc1[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000126105449 823789326 /nfs/dbraw/zinc/78/93/26/823789326.db2.gz UWVCADLOIFQAEX-HNAYVOBHSA-N 0 0 394.431 4.088 20 5 GIBDRN CCn1cc([C@@H]2OCC[C@H]2CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000413519370 823790813 /nfs/dbraw/zinc/79/08/13/823790813.db2.gz VSYCAYYWHINTPS-MEDUHNTESA-N 0 0 384.358 4.020 20 5 GIBDRN CC(C)[C@@H]1N(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC12CCOCC2 ZINC000413539227 823794694 /nfs/dbraw/zinc/79/46/94/823794694.db2.gz AQUQWWIHUVLZSQ-FQEVSTJZSA-N 0 0 397.475 4.210 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2cc(Cl)ccc2NC2CC2)c1F ZINC000413543321 823795182 /nfs/dbraw/zinc/79/51/82/823795182.db2.gz PGHOKATWQODUGU-UHFFFAOYSA-N 0 0 393.802 4.151 20 5 GIBDRN CN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000574671155 823795836 /nfs/dbraw/zinc/79/58/36/823795836.db2.gz KZTFAQQHRLPBHE-UHFFFAOYSA-N 0 0 375.384 4.124 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191850839 823796299 /nfs/dbraw/zinc/79/62/99/823796299.db2.gz IPNYSAFTQRVJQM-UHFFFAOYSA-N 0 0 380.385 4.041 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000574681814 823799837 /nfs/dbraw/zinc/79/98/37/823799837.db2.gz ZXTOZUMWDCLYGC-PXNSSMCTSA-N 0 0 383.448 4.447 20 5 GIBDRN COc1ccc(C(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000064360079 823800360 /nfs/dbraw/zinc/80/03/60/823800360.db2.gz VDBCDQQVGFREED-UHFFFAOYSA-N 0 0 391.427 4.492 20 5 GIBDRN O=C(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000413593886 823802108 /nfs/dbraw/zinc/80/21/08/823802108.db2.gz WGNUCLZCGLAJIE-IXDOHACOSA-N 0 0 384.457 4.024 20 5 GIBDRN CC(C)Oc1cc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)ccc1[N+](=O)[O-] ZINC000413624965 823804934 /nfs/dbraw/zinc/80/49/34/823804934.db2.gz MJVKCLNYTSBIPI-UHFFFAOYSA-N 0 0 384.432 4.140 20 5 GIBDRN COC(=O)c1cc(C(=O)N(C)c2ccccc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000064382041 823805684 /nfs/dbraw/zinc/80/56/84/823805684.db2.gz RWQPJVVPOSLLMF-UHFFFAOYSA-N 0 0 390.395 4.325 20 5 GIBDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126192318 823809253 /nfs/dbraw/zinc/80/92/53/823809253.db2.gz PWEVSNGNCPKCLF-UHFFFAOYSA-N 0 0 379.416 4.310 20 5 GIBDRN Cc1cc(NC(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000574727414 823811399 /nfs/dbraw/zinc/81/13/99/823811399.db2.gz DHCSERDCOHEJIA-CQSZACIVSA-N 0 0 381.354 4.446 20 5 GIBDRN CC(=O)c1cccc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000164645596 823814247 /nfs/dbraw/zinc/81/42/47/823814247.db2.gz IVIFJMBWCBUBPO-UHFFFAOYSA-N 0 0 382.397 4.278 20 5 GIBDRN CCc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000064421199 823815342 /nfs/dbraw/zinc/81/53/42/823815342.db2.gz DVHLCYDMXOOLPO-JTQLQIEISA-N 0 0 389.795 4.358 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccccc2)CCC1 ZINC000064420387 823815401 /nfs/dbraw/zinc/81/54/01/823815401.db2.gz CNFXJRFQYJRSBJ-AWEZNQCLSA-N 0 0 388.851 4.254 20 5 GIBDRN Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2o1 ZINC000064420166 823815410 /nfs/dbraw/zinc/81/54/10/823815410.db2.gz FXCLSKONQROAGL-VIFPVBQESA-N 0 0 375.768 4.104 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000064420593 823815434 /nfs/dbraw/zinc/81/54/34/823815434.db2.gz ZDLBLYFHJPTQHB-NSHDSACASA-N 0 0 386.795 4.044 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000164852269 823822656 /nfs/dbraw/zinc/82/26/56/823822656.db2.gz KNPXUCCEARSXSK-ZDUSSCGKSA-N 0 0 382.420 4.025 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000164852160 823822714 /nfs/dbraw/zinc/82/27/14/823822714.db2.gz KNPXUCCEARSXSK-CYBMUJFWSA-N 0 0 382.420 4.025 20 5 GIBDRN CCOC(=O)c1nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C(C)(C)C)n1 ZINC000574780036 823824743 /nfs/dbraw/zinc/82/47/43/823824743.db2.gz JYIQWGIEIYZSDB-UHFFFAOYSA-N 0 0 398.463 4.028 20 5 GIBDRN Cc1cc(Oc2ncc(Cl)cc2[N+](=O)[O-])ccc1I ZINC000462094651 823826377 /nfs/dbraw/zinc/82/63/77/823826377.db2.gz SEXOBPILUYBOIX-UHFFFAOYSA-N 0 0 390.564 4.349 20 5 GIBDRN Cc1ccccc1-c1cc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000462100165 823827374 /nfs/dbraw/zinc/82/73/74/823827374.db2.gz GUICROMNFZPTAV-CQSZACIVSA-N 0 0 379.420 4.186 20 5 GIBDRN CC[C@@H](Cc1ccccc1)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000462120481 823835174 /nfs/dbraw/zinc/83/51/74/823835174.db2.gz KJFYXAMYIWWIHF-SFHVURJKSA-N 0 0 392.459 4.017 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1COc1ccccc1 ZINC000126377440 823852186 /nfs/dbraw/zinc/85/21/86/823852186.db2.gz DILQEFGLNPQQQE-UHFFFAOYSA-N 0 0 378.384 4.191 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000462176710 823855293 /nfs/dbraw/zinc/85/52/93/823855293.db2.gz PQOHGVGBQSBLKL-PBHICJAKSA-N 0 0 378.494 4.174 20 5 GIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCSC2(CCC2)CC1 ZINC000413878657 823856011 /nfs/dbraw/zinc/85/60/11/823856011.db2.gz MKOMRXCSOXMWIQ-UHFFFAOYSA-N 0 0 383.473 4.159 20 5 GIBDRN COc1cccc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000574938553 823864762 /nfs/dbraw/zinc/86/47/62/823864762.db2.gz HDZHURAQPKNPGU-MRXNPFEDSA-N 0 0 398.337 4.080 20 5 GIBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc2ccccc21 ZINC000574941791 823865861 /nfs/dbraw/zinc/86/58/61/823865861.db2.gz OFHVLHXDDFKLER-HXUWFJFHSA-N 0 0 392.411 4.091 20 5 GIBDRN CCc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cnn1-c1ccccc1Cl ZINC000192123451 823867978 /nfs/dbraw/zinc/86/79/78/823867978.db2.gz AJPLXBDRPSPPRD-UHFFFAOYSA-N 0 0 398.850 4.486 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000574966340 823875386 /nfs/dbraw/zinc/87/53/86/823875386.db2.gz ZSJCZEZBQMOMBO-UHFFFAOYSA-N 0 0 392.415 4.071 20 5 GIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000126485007 823880937 /nfs/dbraw/zinc/88/09/37/823880937.db2.gz MCAFYDIUWVQVMW-MJGOQNOKSA-N 0 0 399.491 4.313 20 5 GIBDRN CC(C)[C@H]1N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000413978353 823882269 /nfs/dbraw/zinc/88/22/69/823882269.db2.gz PPXNCIJUQDGHQW-QGZVFWFLSA-N 0 0 398.912 4.004 20 5 GIBDRN CCc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cnn1-c1cccc(C)c1 ZINC000192153226 823882373 /nfs/dbraw/zinc/88/23/73/823882373.db2.gz AFLDQQGUBQRTKA-UHFFFAOYSA-N 0 0 378.432 4.141 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1 ZINC000064848553 823899296 /nfs/dbraw/zinc/89/92/96/823899296.db2.gz RBXXDSCPXDUUBY-UHFFFAOYSA-N 0 0 394.836 4.399 20 5 GIBDRN CC(C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462257969 823901780 /nfs/dbraw/zinc/90/17/80/823901780.db2.gz XJJJKAAPDLSUPU-NSHDSACASA-N 0 0 381.281 4.101 20 5 GIBDRN CC(C)CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000126628184 823914580 /nfs/dbraw/zinc/91/45/80/823914580.db2.gz MMWHCPMMEMFUMS-IBGZPJMESA-N 0 0 397.475 4.094 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000064963325 823920012 /nfs/dbraw/zinc/92/00/12/823920012.db2.gz TZJJJBLPEDQISZ-INIZCTEOSA-N 0 0 392.814 4.209 20 5 GIBDRN CCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)sc2c1 ZINC000170507093 823920340 /nfs/dbraw/zinc/92/03/40/823920340.db2.gz BBIYWLHOKGNIRN-UHFFFAOYSA-N 0 0 386.389 4.236 20 5 GIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)cc2F)n1 ZINC000065007853 823923785 /nfs/dbraw/zinc/92/37/85/823923785.db2.gz UTVJFRQHEMJGMO-UHFFFAOYSA-N 0 0 393.378 4.270 20 5 GIBDRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000462338060 823930079 /nfs/dbraw/zinc/93/00/79/823930079.db2.gz YOLOYRDIJIIKMH-KRWDZBQOSA-N 0 0 394.880 4.391 20 5 GIBDRN CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170669802 823931706 /nfs/dbraw/zinc/93/17/06/823931706.db2.gz VRSOTUJWEGQOLU-UHFFFAOYSA-N 0 0 389.839 4.016 20 5 GIBDRN C[C@H](Sc1ccccc1)c1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000575175195 823931899 /nfs/dbraw/zinc/93/18/99/823931899.db2.gz KKCVWPGQTVVNRY-KXBFYZLASA-N 0 0 398.488 4.118 20 5 GIBDRN CC(C)C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000462343436 823932496 /nfs/dbraw/zinc/93/24/96/823932496.db2.gz FKMSCGQSVVNWHM-SFHVURJKSA-N 0 0 396.896 4.455 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000065065368 823933574 /nfs/dbraw/zinc/93/35/74/823933574.db2.gz JFGJCALOHOOJOO-UHFFFAOYSA-N 0 0 388.383 4.222 20 5 GIBDRN C[C@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000575196092 823935606 /nfs/dbraw/zinc/93/56/06/823935606.db2.gz PVTTVXIQUAWHCC-SUMWQHHRSA-N 0 0 387.411 4.067 20 5 GIBDRN CCNc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000065082955 823937993 /nfs/dbraw/zinc/93/79/93/823937993.db2.gz DCZDAFWQACZIOD-UHFFFAOYSA-N 0 0 397.460 4.414 20 5 GIBDRN Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc1-c1c[nH]c2ncccc12 ZINC000126742065 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4.007 20 5 GIBDRN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1cccs1 ZINC000176010129 823095303 /nfs/dbraw/zinc/09/53/03/823095303.db2.gz IPFAEOMWAMLGRF-JTQLQIEISA-N 0 0 383.267 4.027 20 5 GIBDRN CCc1ccc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000570878506 823100761 /nfs/dbraw/zinc/10/07/61/823100761.db2.gz XIEQXCCRXLBGCH-BFUOFWGJSA-N 0 0 381.432 4.171 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2sccc2Br)cc1[N+](=O)[O-] ZINC000176038315 823103152 /nfs/dbraw/zinc/10/31/52/823103152.db2.gz XCRBJTLTPRNECS-SNVBAGLBSA-N 0 0 398.282 4.288 20 5 GIBDRN CC[C@@H](NC(=O)NCc1cccc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000176045247 823105596 /nfs/dbraw/zinc/10/55/96/823105596.db2.gz IACKEGDAEXQRTQ-MRXNPFEDSA-N 0 0 379.363 4.147 20 5 GIBDRN O=C(NC[C@H]1CSc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000458926203 823107494 /nfs/dbraw/zinc/10/74/94/823107494.db2.gz VUTSFCWVMDHWKB-HNNXBMFYSA-N 0 0 383.473 4.158 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(COc2ccc(F)cc2)no1 ZINC000121054576 823109997 /nfs/dbraw/zinc/10/99/97/823109997.db2.gz XHALSPGDDHSTJU-JTQLQIEISA-N 0 0 393.758 4.489 20 5 GIBDRN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121058191 823110627 /nfs/dbraw/zinc/11/06/27/823110627.db2.gz OXWGBGHOSHLLER-UHFFFAOYSA-N 0 0 383.404 4.450 20 5 GIBDRN O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121059762 823110772 /nfs/dbraw/zinc/11/07/72/823110772.db2.gz LQZCBKKDLXLVDR-UHFFFAOYSA-N 0 0 394.402 4.381 20 5 GIBDRN COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000056248680 823111899 /nfs/dbraw/zinc/11/18/99/823111899.db2.gz MPNXBCVCGNFTMI-UHFFFAOYSA-N 0 0 390.808 4.028 20 5 GIBDRN CCOc1ccc([C@H]2CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000056260665 823114697 /nfs/dbraw/zinc/11/46/97/823114697.db2.gz XMMOCRHYNHOOSB-GOSISDBHSA-N 0 0 379.416 4.452 20 5 GIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000056268862 823117119 /nfs/dbraw/zinc/11/71/19/823117119.db2.gz FUWHJCVESSCVEX-UHFFFAOYSA-N 0 0 392.459 4.286 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Br)s1 ZINC000056287882 823121795 /nfs/dbraw/zinc/12/17/95/823121795.db2.gz MYWNAGAKVCIUOL-UHFFFAOYSA-N 0 0 383.267 4.470 20 5 GIBDRN Cc1noc(-c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)n1 ZINC000056288230 823121845 /nfs/dbraw/zinc/12/18/45/823121845.db2.gz OJDQKAGNCOQDDX-UHFFFAOYSA-N 0 0 380.404 4.004 20 5 GIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000176107502 823122567 /nfs/dbraw/zinc/12/25/67/823122567.db2.gz RQBUWEBMVRRNDG-LJQANCHMSA-N 0 0 378.432 4.076 20 5 GIBDRN COc1cc(CN(C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)ccc1SC ZINC000121139020 823125088 /nfs/dbraw/zinc/12/50/88/823125088.db2.gz ICXKGNDDBMVGCT-UHFFFAOYSA-N 0 0 386.477 4.073 20 5 GIBDRN CNc1ccc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000056313296 823125586 /nfs/dbraw/zinc/12/55/86/823125586.db2.gz SFQDXAZGHZQJNF-UHFFFAOYSA-N 0 0 383.326 4.138 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000056313932 823126225 /nfs/dbraw/zinc/12/62/25/823126225.db2.gz KPVRGEOHZQOKNJ-UHFFFAOYSA-N 0 0 398.365 4.158 20 5 GIBDRN CCS[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000571056522 823126318 /nfs/dbraw/zinc/12/63/18/823126318.db2.gz AMXJPCGGZGKXPN-ZIAGYGMSSA-N 0 0 387.299 4.070 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(Oc2ccccc2)nc1 ZINC000176120366 823126772 /nfs/dbraw/zinc/12/67/72/823126772.db2.gz NBXVKCDUUQNESH-UHFFFAOYSA-N 0 0 377.400 4.031 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000176123598 823128265 /nfs/dbraw/zinc/12/82/65/823128265.db2.gz SUOOYKITWVPTNE-IIBYNOLFSA-N 0 0 390.443 4.448 20 5 GIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121155057 823128947 /nfs/dbraw/zinc/12/89/47/823128947.db2.gz GZWFOPXODMTSJG-ZDUSSCGKSA-N 0 0 376.482 4.115 20 5 GIBDRN C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056331576 823129415 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LVLNNHWWUHXZIY-LBPRGKRZSA-N 0 0 378.350 4.343 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CCCc1cccnc1 ZINC000459245661 823151018 /nfs/dbraw/zinc/15/10/18/823151018.db2.gz NURZWWIUALCRKH-QGZVFWFLSA-N 0 0 384.480 4.321 20 5 GIBDRN CC(=O)c1oc2cc(C)ccc2c1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000571202827 823147690 /nfs/dbraw/zinc/14/76/90/823147690.db2.gz PQWSPEZHRBICFH-UHFFFAOYSA-N 0 0 392.371 4.075 20 5 GIBDRN O=C(NCc1ccc(Cl)cc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187872435 823150283 /nfs/dbraw/zinc/15/02/83/823150283.db2.gz RXYBCPYHHPXWPH-UHFFFAOYSA-N 0 0 377.803 4.262 20 5 GIBDRN COC(=O)N(C)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000056449762 823151832 /nfs/dbraw/zinc/15/18/32/823151832.db2.gz PAFCKKSPPWNAHL-UHFFFAOYSA-N 0 0 385.420 4.347 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121279602 823153629 /nfs/dbraw/zinc/15/36/29/823153629.db2.gz WXPPORZTGYBWBU-VZOQVYJPSA-N 0 0 377.375 4.048 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000056459156 823154240 /nfs/dbraw/zinc/15/42/40/823154240.db2.gz LBQOOIVRPQYEDP-FQEVSTJZSA-N 0 0 379.391 4.323 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000056459158 823154395 /nfs/dbraw/zinc/15/43/95/823154395.db2.gz LBQOOIVRPQYEDP-HXUWFJFHSA-N 0 0 379.391 4.323 20 5 GIBDRN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571244959 823154713 /nfs/dbraw/zinc/15/47/13/823154713.db2.gz GSLNJEQTUTYFEN-QGZVFWFLSA-N 0 0 386.839 4.340 20 5 GIBDRN C[C@H](c1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000056493818 823159400 /nfs/dbraw/zinc/15/94/00/823159400.db2.gz YSXJZLWYDZBXCJ-OAHLLOKOSA-N 0 0 395.484 4.329 20 5 GIBDRN CCOc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000459311442 823159950 /nfs/dbraw/zinc/15/99/50/823159950.db2.gz XQKBGRYPIIJIPP-UHFFFAOYSA-N 0 0 395.253 4.094 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056529807 823162871 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393.468 4.154 20 5 GIBDRN CCc1cc(NC(=O)c2cccc(NC(C)=O)c2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000188059357 823179446 /nfs/dbraw/zinc/17/94/46/823179446.db2.gz RVRLOBMINWRCAW-UHFFFAOYSA-N 0 0 392.415 4.225 20 5 GIBDRN CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000176314315 823179923 /nfs/dbraw/zinc/17/99/23/823179923.db2.gz QZGQFASACIUPFU-INIZCTEOSA-N 0 0 376.840 4.009 20 5 GIBDRN COc1cccc(C(=O)c2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000188072432 823181983 /nfs/dbraw/zinc/18/19/83/823181983.db2.gz NRGBXGLTNNIIBB-UHFFFAOYSA-N 0 0 390.395 4.111 20 5 GIBDRN COC1CCC(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000459402967 823185191 /nfs/dbraw/zinc/18/51/91/823185191.db2.gz GITSUDYLOJXDRJ-UHFFFAOYSA-N 0 0 385.420 4.466 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000176335452 823185551 /nfs/dbraw/zinc/18/55/51/823185551.db2.gz AFOWKIQDKBUDLJ-JKSUJKDBSA-N 0 0 382.464 4.316 20 5 GIBDRN O=[N+]([O-])c1ccc([C@@H](NC[C@H]2CCN(c3ccccc3)C2)C(F)(F)F)cc1 ZINC000571529285 823196170 /nfs/dbraw/zinc/19/61/70/823196170.db2.gz FCZOESPYZPKNEN-RDTXWAMCSA-N 0 0 379.382 4.314 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000176391002 823196940 /nfs/dbraw/zinc/19/69/40/823196940.db2.gz ALOLCKIBOOHKBL-JKSUJKDBSA-N 0 0 393.447 4.210 20 5 GIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000121515592 823198157 /nfs/dbraw/zinc/19/81/57/823198157.db2.gz JBOUISRWOMESRC-UHFFFAOYSA-N 0 0 389.795 4.270 20 5 GIBDRN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c3cccnc13)CCC2 ZINC000571545364 823198464 /nfs/dbraw/zinc/19/84/64/823198464.db2.gz AOJZXXMKGKLIDH-SFHVURJKSA-N 0 0 391.427 4.024 20 5 GIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000188187591 823200413 /nfs/dbraw/zinc/20/04/13/823200413.db2.gz JSHQERHTOPORJB-FQEVSTJZSA-N 0 0 388.427 4.364 20 5 GIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000056726730 823200919 /nfs/dbraw/zinc/20/09/19/823200919.db2.gz IESBKWWZGAKDRS-MAUKXSAKSA-N 0 0 399.447 4.344 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000056726772 823200921 /nfs/dbraw/zinc/20/09/21/823200921.db2.gz SXCQFLKMBFUVHA-QAPCUYQASA-N 0 0 399.447 4.425 20 5 GIBDRN CC[C@H]1CCc2nc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)sc2C1 ZINC000571623454 823210890 /nfs/dbraw/zinc/21/08/90/823210890.db2.gz LTAIRAYMADOEPG-LBPRGKRZSA-N 0 0 386.477 4.156 20 5 GIBDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000188304571 823217082 /nfs/dbraw/zinc/21/70/82/823217082.db2.gz KMSWRLVIXQZHHP-UYAOXDASSA-N 0 0 398.459 4.153 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571676079 823217661 /nfs/dbraw/zinc/21/76/61/823217661.db2.gz JKFRNUHIBUQUQV-INIZCTEOSA-N 0 0 386.349 4.214 20 5 GIBDRN CC(C)(NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000176495653 823220710 /nfs/dbraw/zinc/22/07/10/823220710.db2.gz JJDKRCNBAKEVIN-UHFFFAOYSA-N 0 0 392.415 4.187 20 5 GIBDRN CO[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000121675411 823228186 /nfs/dbraw/zinc/22/81/86/823228186.db2.gz XWPFDMARAQVPBB-INIZCTEOSA-N 0 0 380.853 4.088 20 5 GIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000121667518 823226116 /nfs/dbraw/zinc/22/61/16/823226116.db2.gz ZCRHMQONBMXCGP-XJKSGUPXSA-N 0 0 383.404 4.138 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2sc(Cl)cc21 ZINC000571728412 823226263 /nfs/dbraw/zinc/22/62/63/823226263.db2.gz GNWLPENQNHNMBB-LBPRGKRZSA-N 0 0 386.260 4.450 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000459591449 823226314 /nfs/dbraw/zinc/22/63/14/823226314.db2.gz ZQUTUCVLGNIROS-QGZVFWFLSA-N 0 0 389.477 4.244 20 5 GIBDRN COc1cc(Cl)c(C)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000121668467 823226412 /nfs/dbraw/zinc/22/64/12/823226412.db2.gz WYWVHHAOWYUNRM-UHFFFAOYSA-N 0 0 393.783 4.343 20 5 GIBDRN CCc1n[nH]c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c1[N+](=O)[O-] ZINC000188364834 823226598 /nfs/dbraw/zinc/22/65/98/823226598.db2.gz BOBCGNANGSQHCI-ZDUSSCGKSA-N 0 0 384.358 4.026 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000409481765 823231182 /nfs/dbraw/zinc/23/11/82/823231182.db2.gz CGUXHSBHBXKQQP-NSHDSACASA-N 0 0 382.338 4.042 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188392125 823232595 /nfs/dbraw/zinc/23/25/95/823232595.db2.gz XZEZJIMJJPBADF-UHFFFAOYSA-N 0 0 378.350 4.253 20 5 GIBDRN COc1ccc(Cn2ccc(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)n2)cc1 ZINC000188411967 823236457 /nfs/dbraw/zinc/23/64/57/823236457.db2.gz GCGJHGGFCIXTNP-UHFFFAOYSA-N 0 0 395.419 4.109 20 5 GIBDRN COc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000188415266 823237193 /nfs/dbraw/zinc/23/71/93/823237193.db2.gz WBJXISVMGHRFOI-HNNXBMFYSA-N 0 0 386.473 4.166 20 5 GIBDRN COc1ccc([C@H]2C[C@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)cc1F ZINC000409523503 823240890 /nfs/dbraw/zinc/24/08/90/823240890.db2.gz YEORJNZLJWOAQA-XYPYZODXSA-N 0 0 396.216 4.258 20 5 GIBDRN CC[C@@H]1Oc2cc([C@@H](C)Nc3c(F)cc([N+](=O)[O-])cc3F)ccc2NC1=O ZINC000121746399 823241988 /nfs/dbraw/zinc/24/19/88/823241988.db2.gz NMYPGTRLSLXGBF-PSLIRLAXSA-N 0 0 377.347 4.156 20 5 GIBDRN CC[C@@H]1Oc2cc([C@H](C)Nc3c(F)cc([N+](=O)[O-])cc3F)ccc2NC1=O ZINC000121746697 823242009 /nfs/dbraw/zinc/24/20/09/823242009.db2.gz NMYPGTRLSLXGBF-VFZGTOFNSA-N 0 0 377.347 4.156 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H]2COc3cc(F)c(Br)cc32)c(Cl)c1 ZINC000409534108 823244005 /nfs/dbraw/zinc/24/40/05/823244005.db2.gz DMYSQKUOVRQMDK-NSHDSACASA-N 0 0 388.580 4.090 20 5 GIBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000409550320 823247885 /nfs/dbraw/zinc/24/78/85/823247885.db2.gz QXXWFXNSZHKVHA-ZCFIWIBFSA-N 0 0 391.193 4.188 20 5 GIBDRN COc1cc(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc([N+](=O)[O-])c1C ZINC000188488817 823249568 /nfs/dbraw/zinc/24/95/68/823249568.db2.gz DSPQEGDQRVBYDN-UTKZUKDTSA-N 0 0 398.459 4.118 20 5 GIBDRN COc1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc([N+](=O)[O-])c1C ZINC000188488794 823249608 /nfs/dbraw/zinc/24/96/08/823249608.db2.gz DSPQEGDQRVBYDN-DYESRHJHSA-N 0 0 398.459 4.118 20 5 GIBDRN COc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1Cl ZINC000459691936 823251593 /nfs/dbraw/zinc/25/15/93/823251593.db2.gz DSJYRUOEDKBMNP-UHFFFAOYSA-N 0 0 393.827 4.322 20 5 GIBDRN C[C@@H]1CCCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000057138502 823253846 /nfs/dbraw/zinc/25/38/46/823253846.db2.gz GFDQRZSSEVKYHD-CYBMUJFWSA-N 0 0 399.413 4.089 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000571919623 823254079 /nfs/dbraw/zinc/25/40/79/823254079.db2.gz VFOCMYBHTNTMCV-UHFFFAOYSA-N 0 0 389.415 4.435 20 5 GIBDRN COc1ccc(C2(CNc3ccc4ncccc4c3[N+](=O)[O-])CCOCC2)cc1 ZINC000057150040 823255445 /nfs/dbraw/zinc/25/54/45/823255445.db2.gz GAXGXTLLKDXAJR-UHFFFAOYSA-N 0 0 393.443 4.312 20 5 GIBDRN Cc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Oc1cccnc1 ZINC000057152153 823255814 /nfs/dbraw/zinc/25/58/14/823255814.db2.gz YPAQZYUZFGUURQ-UHFFFAOYSA-N 0 0 399.428 4.238 20 5 GIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(OC(F)F)cc1 ZINC000121815374 823256817 /nfs/dbraw/zinc/25/68/17/823256817.db2.gz BXYCYJJPJYTPKH-NSHDSACASA-N 0 0 387.342 4.235 20 5 GIBDRN CC(C)n1c(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])nc2ccccc21 ZINC000176650062 823257189 /nfs/dbraw/zinc/25/71/89/823257189.db2.gz DDCURGKLGXDENK-UHFFFAOYSA-N 0 0 386.839 4.151 20 5 GIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000001981555 817378717 /nfs/dbraw/zinc/37/87/17/817378717.db2.gz RYPRSBFITNXPMZ-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000001982743 817379050 /nfs/dbraw/zinc/37/90/50/817379050.db2.gz FNTHVRBRVBYLLM-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN CSc1ccccc1[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571954055 823259601 /nfs/dbraw/zinc/25/96/01/823259601.db2.gz GWKGCZDCKJGCCO-ZDUSSCGKSA-N 0 0 398.488 4.401 20 5 GIBDRN CC(C)c1nnc(CCC(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])o1 ZINC000176661881 823260646 /nfs/dbraw/zinc/26/06/46/823260646.db2.gz ANJMFJFFVGFQBO-UHFFFAOYSA-N 0 0 395.415 4.230 20 5 GIBDRN Cc1ccc(-c2csc3ncn(Cc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 ZINC000003017683 817411638 /nfs/dbraw/zinc/41/16/38/817411638.db2.gz CBPMNSZVAQVCFO-UHFFFAOYSA-N 0 0 377.425 4.390 20 5 GIBDRN COc1cccc(C(NC(=O)c2csc([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000176666049 823261803 /nfs/dbraw/zinc/26/18/03/823261803.db2.gz NRURUHSLTOVWPA-UHFFFAOYSA-N 0 0 398.440 4.193 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003371342 817444020 /nfs/dbraw/zinc/44/40/20/817444020.db2.gz GQPPOSKQMWOAAC-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@@H](OC(=O)c1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003385651 817445822 /nfs/dbraw/zinc/44/58/22/817445822.db2.gz WRPAQCPXRXCBEF-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000003386737 817446653 /nfs/dbraw/zinc/44/66/53/817446653.db2.gz SUYSXQSGFUJWDA-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003401679 817449151 /nfs/dbraw/zinc/44/91/51/817449151.db2.gz KKAJRORSPGBUGH-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000003443366 817456773 /nfs/dbraw/zinc/45/67/73/817456773.db2.gz IFYRAAWPELHLRL-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN C[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003488617 817467951 /nfs/dbraw/zinc/46/79/51/817467951.db2.gz GDAOHCAYFFBWRB-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003495073 817469208 /nfs/dbraw/zinc/46/92/08/817469208.db2.gz IFVHGWMXXDENOO-SSDOTTSWSA-N 0 0 389.216 4.147 20 5 GIBDRN CCN(C(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc2ccccc21 ZINC000003495148 817469292 /nfs/dbraw/zinc/46/92/92/817469292.db2.gz SPNNWJUARBKCRF-UHFFFAOYSA-N 0 0 392.411 4.266 20 5 GIBDRN Cc1ccc(OC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000121866111 823266161 /nfs/dbraw/zinc/26/61/61/823266161.db2.gz YNCKHZRUJLLUGA-UHFFFAOYSA-N 0 0 398.806 4.234 20 5 GIBDRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2ccccc2c2cccnc12 ZINC000176687824 823268417 /nfs/dbraw/zinc/26/84/17/823268417.db2.gz KVQVZWNNLHESRK-IBGZPJMESA-N 0 0 385.471 4.368 20 5 GIBDRN O=[N+]([O-])c1c(N[C@H]2CCOc3c(Br)cccc32)nc2sccn21 ZINC000409638314 823269592 /nfs/dbraw/zinc/26/95/92/823269592.db2.gz LYKFPYDWVKDCRT-JTQLQIEISA-N 0 0 395.238 4.002 20 5 GIBDRN CCOc1cc(OCC(=O)Nc2c(C)cc(C)cc2Cl)ccc1[N+](=O)[O-] ZINC000188599009 823270030 /nfs/dbraw/zinc/27/00/30/823270030.db2.gz RUELUXGFIYTIBY-UHFFFAOYSA-N 0 0 378.812 4.281 20 5 GIBDRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176710422 823274473 /nfs/dbraw/zinc/27/44/73/823274473.db2.gz QIMUJBZUWMSTKB-UHFFFAOYSA-N 0 0 388.383 4.288 20 5 GIBDRN Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1C ZINC000004887603 817539709 /nfs/dbraw/zinc/53/97/09/817539709.db2.gz MEWJKKLXNHUTSV-UHFFFAOYSA-N 0 0 398.444 4.301 20 5 GIBDRN CCOc1cc(OCc2cccc(C(=O)N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000188601835 823270703 /nfs/dbraw/zinc/27/07/03/823270703.db2.gz NIACNUNRFRXJQU-UHFFFAOYSA-N 0 0 384.432 4.199 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@H]2CCOc3c(Br)cccc32)c(Cl)c1 ZINC000409641258 823270800 /nfs/dbraw/zinc/27/08/00/823270800.db2.gz LUPYRNPHJCQQPQ-LBPRGKRZSA-N 0 0 384.617 4.341 20 5 GIBDRN CC(C)(C)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000004960448 817543799 /nfs/dbraw/zinc/54/37/99/817543799.db2.gz REAAJYQJBYWINU-UHFFFAOYSA-N 0 0 394.431 4.096 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000005078311 817549306 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4.153 20 5 GIBDRN CNc1ccc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000005363836 817577664 /nfs/dbraw/zinc/57/76/64/817577664.db2.gz CKBHMIGHIYHVGR-UHFFFAOYSA-N 0 0 387.392 4.256 20 5 GIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Cl ZINC000005484939 817588502 /nfs/dbraw/zinc/58/85/02/817588502.db2.gz GYHMOANPLBGORD-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000005536211 817592849 /nfs/dbraw/zinc/59/28/49/817592849.db2.gz XLMKFQOLZGGBIH-UHFFFAOYSA-N 0 0 392.205 4.014 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000572082908 823280300 /nfs/dbraw/zinc/28/03/00/823280300.db2.gz BBHBNKCVOFMXHC-INIZCTEOSA-N 0 0 397.479 4.102 20 5 GIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005632413 817602450 /nfs/dbraw/zinc/60/24/50/817602450.db2.gz FOZZFEFZGZIELT-UHFFFAOYSA-N 0 0 375.812 4.029 20 5 GIBDRN CO[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000460010391 823278370 /nfs/dbraw/zinc/27/83/70/823278370.db2.gz KIWFGUSFOKCKHV-HUUCEWRRSA-N 0 0 375.450 4.170 20 5 GIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000005656195 817605144 /nfs/dbraw/zinc/60/51/44/817605144.db2.gz GVPKVIGUINVWPC-SECBINFHSA-N 0 0 399.733 4.278 20 5 GIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005673519 817607449 /nfs/dbraw/zinc/60/74/49/817607449.db2.gz MPVYQASEKOOVRM-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000005680112 817608494 /nfs/dbraw/zinc/60/84/94/817608494.db2.gz ZATWOFOMQWTGLB-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000121926860 823278711 /nfs/dbraw/zinc/27/87/11/823278711.db2.gz SAKPJBRKRWRLGG-UHFFFAOYSA-N 0 0 399.428 4.415 20 5 GIBDRN O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005916524 817630279 /nfs/dbraw/zinc/63/02/79/817630279.db2.gz 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CCn1cc(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000121918500 823277093 /nfs/dbraw/zinc/27/70/93/823277093.db2.gz AHSQWYMLGCFMEO-UHFFFAOYSA-N 0 0 382.420 4.011 20 5 GIBDRN CC[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000459995095 823277197 /nfs/dbraw/zinc/27/71/97/823277197.db2.gz NLMGNWKWWZNEAR-CYBMUJFWSA-N 0 0 398.337 4.225 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000006290460 817672946 /nfs/dbraw/zinc/67/29/46/817672946.db2.gz QQKJLGFTJAVKOE-SNVBAGLBSA-N 0 0 399.230 4.166 20 5 GIBDRN CCOc1cc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000409676804 823280690 /nfs/dbraw/zinc/28/06/90/823280690.db2.gz AJJIOYLYXZBVFE-UHFFFAOYSA-N 0 0 395.362 4.225 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000176734278 823280824 /nfs/dbraw/zinc/28/08/24/823280824.db2.gz RXALCXUUPVCWFR-FXAWDEMLSA-N 0 0 397.475 4.355 20 5 GIBDRN C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006376926 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388.851 4.112 20 5 GIBDRN O=C(COC(=O)c1c2ccccc2cc2ccccc21)NC(=O)c1ccccc1 ZINC000006643785 817714885 /nfs/dbraw/zinc/71/48/85/817714885.db2.gz FSYHKZFVTMFRET-UHFFFAOYSA-N 0 0 383.403 4.106 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc(-c2cccs2)o1 ZINC000006841910 817718823 /nfs/dbraw/zinc/71/88/23/817718823.db2.gz CJKCBONTXBPALX-QMMMGPOBSA-N 0 0 379.781 4.278 20 5 GIBDRN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176746584 823283441 /nfs/dbraw/zinc/28/34/41/823283441.db2.gz VZDLWUATRSPHBV-OAHLLOKOSA-N 0 0 398.463 4.268 20 5 GIBDRN COc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c([N+](=O)[O-])cc1F ZINC000460073848 823283520 /nfs/dbraw/zinc/28/35/20/823283520.db2.gz HWUDDTBCJNVFFD-UHFFFAOYSA-N 0 0 378.787 4.205 20 5 GIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc(-c2ccc(F)cc2)o1 ZINC000006988308 817735634 /nfs/dbraw/zinc/73/56/34/817735634.db2.gz NJEYFEFKVAVEEK-VIFPVBQESA-N 0 0 391.742 4.355 20 5 GIBDRN Cc1c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000006988789 817735966 /nfs/dbraw/zinc/73/59/66/817735966.db2.gz DPQQCYHNOMQHND-UHFFFAOYSA-N 0 0 377.780 4.075 20 5 GIBDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000007035767 817743677 /nfs/dbraw/zinc/74/36/77/817743677.db2.gz LKZSDAUWDGHNFG-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)[C@H]4CCC[C@H]43)cc2)c(C)c1[N+](=O)[O-] ZINC000572108293 823284720 /nfs/dbraw/zinc/28/47/20/823284720.db2.gz PMFRQSQOOAXKMD-RBUKOAKNSA-N 0 0 396.491 4.107 20 5 GIBDRN COc1ccc(C)cc1NC(=O)[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000007044861 817745962 /nfs/dbraw/zinc/74/59/62/817745962.db2.gz GJMOBUFEAVKDRG-IBGZPJMESA-N 0 0 393.399 4.066 20 5 GIBDRN CC(C)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007108159 817761251 /nfs/dbraw/zinc/76/12/51/817761251.db2.gz DNCYKWAUUGNWMR-UHFFFAOYSA-N 0 0 376.796 4.167 20 5 GIBDRN CC[NH+](CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)c1ccsc1 ZINC000572124075 823286772 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QHHVZBMREVPQDM-IBGZPJMESA-N 0 0 394.818 4.410 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000572381780 823329966 /nfs/dbraw/zinc/32/99/66/823329966.db2.gz ZKNRGHYMVGNAPT-CQSZACIVSA-N 0 0 397.401 4.288 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000015630245 818350818 /nfs/dbraw/zinc/35/08/18/818350818.db2.gz WXJCNMGMVYGLFX-UHFFFAOYSA-N 0 0 384.310 4.273 20 5 GIBDRN CC1CCN(c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2[N+](=O)[O-])CC1 ZINC000015636483 818351665 /nfs/dbraw/zinc/35/16/65/818351665.db2.gz LWZUFMTXDXIUGN-UHFFFAOYSA-N 0 0 386.477 4.029 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000015698956 818359911 /nfs/dbraw/zinc/35/99/11/818359911.db2.gz AVMVYTJVEIYNIE-NSHDSACASA-N 0 0 396.321 4.106 20 5 GIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000015698963 818360002 /nfs/dbraw/zinc/36/00/02/818360002.db2.gz ZACIUGJQMGFXEJ-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000015790684 818367611 /nfs/dbraw/zinc/36/76/11/818367611.db2.gz SPABGQBEXANWRO-UHFFFAOYSA-N 0 0 395.415 4.268 20 5 GIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 ZINC000409873035 823332389 /nfs/dbraw/zinc/33/23/89/823332389.db2.gz XSOJRDKIYYJYSA-UHFFFAOYSA-N 0 0 396.852 4.370 20 5 GIBDRN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015965959 818379950 /nfs/dbraw/zinc/37/99/50/818379950.db2.gz UMHOKHYEOMAJHQ-UHFFFAOYSA-N 0 0 384.175 4.082 20 5 GIBDRN C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000176953451 823333249 /nfs/dbraw/zinc/33/32/49/823333249.db2.gz RBBPTRBPJWQPOD-SECBINFHSA-N 0 0 392.399 4.289 20 5 GIBDRN O=C(CSc1cccc(C(F)(F)F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016116185 818395424 /nfs/dbraw/zinc/39/54/24/818395424.db2.gz HARLXITYWMAQIG-UHFFFAOYSA-N 0 0 382.363 4.295 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000016196348 818404840 /nfs/dbraw/zinc/40/48/40/818404840.db2.gz VYBZSLAPZADDRR-SNVBAGLBSA-N 0 0 379.821 4.398 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176957883 823334654 /nfs/dbraw/zinc/33/46/54/823334654.db2.gz GJDKIYTZUMDWAK-NHYWBVRUSA-N 0 0 395.868 4.430 20 5 GIBDRN COc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000016324850 818423609 /nfs/dbraw/zinc/42/36/09/818423609.db2.gz TYAOUFCXFKYPHB-UHFFFAOYSA-N 0 0 398.440 4.027 20 5 GIBDRN COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000016324851 818423833 /nfs/dbraw/zinc/42/38/33/818423833.db2.gz SJTWZDPRQAZHPN-UHFFFAOYSA-N 0 0 384.413 4.349 20 5 GIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000409888484 823336381 /nfs/dbraw/zinc/33/63/81/823336381.db2.gz SPLBJYQRJSURSC-KGLIPLIRSA-N 0 0 394.258 4.233 20 5 GIBDRN CCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000016470647 818446455 /nfs/dbraw/zinc/44/64/55/818446455.db2.gz DIUMHTNPNWTOQV-UHFFFAOYSA-N 0 0 393.447 4.207 20 5 GIBDRN O=C(OCc1nnnn1-c1ccccc1)c1c2ccccc2cc2ccccc21 ZINC000017528995 818519703 /nfs/dbraw/zinc/51/97/03/818519703.db2.gz XNJSLLRYZPHSEQ-UHFFFAOYSA-N 0 0 380.407 4.326 20 5 GIBDRN CC(C)n1ncc2cc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cnc21 ZINC000017573584 818519972 /nfs/dbraw/zinc/51/99/72/818519972.db2.gz ZAHAZADNHCHXPE-GFCCVEGCSA-N 0 0 385.449 4.040 20 5 GIBDRN CCOc1cc2c(cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000057854461 823342053 /nfs/dbraw/zinc/34/20/53/823342053.db2.gz OJUILLHPSBTOKT-SNVBAGLBSA-N 0 0 376.796 4.223 20 5 GIBDRN Cc1ccc(CSCCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017603913 818521997 /nfs/dbraw/zinc/52/19/97/818521997.db2.gz DBIVXVUOBHMIIG-HNNXBMFYSA-N 0 0 390.530 4.433 20 5 GIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ncnc2sccc21 ZINC000018058579 818542103 /nfs/dbraw/zinc/54/21/03/818542103.db2.gz HVKDLXBCHRIYGV-UHFFFAOYSA-N 0 0 383.355 4.142 20 5 GIBDRN CC(C)c1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000018078423 818543713 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Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000020823207 818633301 /nfs/dbraw/zinc/63/33/01/818633301.db2.gz IUDLOZLPMUCRFG-UHFFFAOYSA-N 0 0 378.344 4.187 20 5 GIBDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020891812 818636816 /nfs/dbraw/zinc/63/68/16/818636816.db2.gz WNGIQMDKEVKNCA-UHFFFAOYSA-N 0 0 384.823 4.362 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)c1 ZINC000460324095 823354007 /nfs/dbraw/zinc/35/40/07/823354007.db2.gz YMYBXLJOOBMORU-UHFFFAOYSA-N 0 0 391.880 4.457 20 5 GIBDRN O=C(NCCc1ccccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000021044969 818649305 /nfs/dbraw/zinc/64/93/05/818649305.db2.gz MZWBVHGTAMQEFN-UHFFFAOYSA-N 0 0 397.818 4.408 20 5 GIBDRN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000021226534 818666579 /nfs/dbraw/zinc/66/65/79/818666579.db2.gz CURVBZATAXQWMJ-JTQLQIEISA-N 0 0 375.841 4.074 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000460313582 823350197 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CGHQKSQNHFBFEK-AWEZNQCLSA-N 0 0 382.445 4.208 20 5 GIBDRN CCCn1c2ccccc2nc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000021597638 818712046 /nfs/dbraw/zinc/71/20/46/818712046.db2.gz TWCXDXBAMSMOQZ-ZDUSSCGKSA-N 0 0 384.461 4.474 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000021616127 818714028 /nfs/dbraw/zinc/71/40/28/818714028.db2.gz GPLXVAHQKPOWHY-UHFFFAOYSA-N 0 0 398.415 4.352 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000021623096 818715090 /nfs/dbraw/zinc/71/50/90/818715090.db2.gz NZUOQKLACPODMK-NSHDSACASA-N 0 0 379.210 4.072 20 5 GIBDRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000021631404 818716523 /nfs/dbraw/zinc/71/65/23/818716523.db2.gz KLGZFVRICJRZIT-GFCCVEGCSA-N 0 0 393.237 4.380 20 5 GIBDRN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000021631347 818716689 /nfs/dbraw/zinc/71/66/89/818716689.db2.gz WRGGCMGLKQDVCJ-LBPRGKRZSA-N 0 0 393.237 4.380 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000177052231 823360183 /nfs/dbraw/zinc/36/01/83/823360183.db2.gz HEMHQZURUGEBMJ-HZPDHXFCSA-N 0 0 398.463 4.011 20 5 GIBDRN O=C(N[C@H]1CCSc2ccccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000021898677 818752752 /nfs/dbraw/zinc/75/27/52/818752752.db2.gz RQEBKEQJXFBSCN-INIZCTEOSA-N 0 0 383.473 4.162 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000022003866 818763076 /nfs/dbraw/zinc/76/30/76/818763076.db2.gz DPNASNRDMZLFCW-UHFFFAOYSA-N 0 0 381.388 4.434 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NC(c1cccs1)c1cccs1 ZINC000122489739 823362208 /nfs/dbraw/zinc/36/22/08/823362208.db2.gz PDGMZMWXZGVJSG-UHFFFAOYSA-N 0 0 387.486 4.426 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000572567226 823362289 /nfs/dbraw/zinc/36/22/89/823362289.db2.gz WKECEFBRQIBOAR-CQSZACIVSA-N 0 0 398.463 4.007 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cc(OC)c(OC)cc1C ZINC000572567212 823362314 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Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000022476367 818813437 /nfs/dbraw/zinc/81/34/37/818813437.db2.gz HESSTDXCMCDXJJ-OAHLLOKOSA-N 0 0 392.411 4.169 20 5 GIBDRN CCCCSc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000022490561 818816536 /nfs/dbraw/zinc/81/65/36/818816536.db2.gz VZJXZQVCIPHEBK-UHFFFAOYSA-N 0 0 399.519 4.497 20 5 GIBDRN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000022498576 818818317 /nfs/dbraw/zinc/81/83/17/818818317.db2.gz HSBHJGIAMHWEIV-JOCHJYFZSA-N 0 0 394.402 4.361 20 5 GIBDRN Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000022547590 818823527 /nfs/dbraw/zinc/82/35/27/818823527.db2.gz CNGQMFFTKHVUOM-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN O=C(NCCc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000409982498 823361922 /nfs/dbraw/zinc/36/19/22/823361922.db2.gz UUXXYGFSQRUVDQ-UHFFFAOYSA-N 0 0 378.384 4.065 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000022736484 818853792 /nfs/dbraw/zinc/85/37/92/818853792.db2.gz QSPLKNHCDGWJNL-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN CSc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000022832078 818865267 /nfs/dbraw/zinc/86/52/67/818865267.db2.gz JZHKAPPSDPHMOS-UHFFFAOYSA-N 0 0 394.456 4.123 20 5 GIBDRN C[C@@H](OCCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000022973084 818881628 /nfs/dbraw/zinc/88/16/28/818881628.db2.gz KTVQHHVYYSMGFA-CVEARBPZSA-N 0 0 388.489 4.360 20 5 GIBDRN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023010990 818887428 /nfs/dbraw/zinc/88/74/28/818887428.db2.gz GVSIYAHAPKUWLL-UHFFFAOYSA-N 0 0 376.372 4.491 20 5 GIBDRN CC(=O)c1ccc(NCCCc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 ZINC000572627967 823371597 /nfs/dbraw/zinc/37/15/97/823371597.db2.gz PIBHLRHPMQFFKP-UHFFFAOYSA-N 0 0 378.432 4.336 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000460387151 823372367 /nfs/dbraw/zinc/37/23/67/823372367.db2.gz MPGFFSSETJFIHH-KUHUBIRLSA-N 0 0 388.851 4.088 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000460387152 823372477 /nfs/dbraw/zinc/37/24/77/823372477.db2.gz MPGFFSSETJFIHH-LIRRHRJNSA-N 0 0 388.851 4.088 20 5 GIBDRN C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1ccccc1[N+](=O)[O-] ZINC000410020649 823372956 /nfs/dbraw/zinc/37/29/56/823372956.db2.gz QFELSKYOJZPHGM-VIFPVBQESA-N 0 0 399.191 4.055 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ncsc1C(C)C ZINC000572644276 823374269 /nfs/dbraw/zinc/37/42/69/823374269.db2.gz FHZCKSCLWIPDPR-UHFFFAOYSA-N 0 0 384.255 4.498 20 5 GIBDRN CCCCn1c(C)c(C)nc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023363165 818928281 /nfs/dbraw/zinc/92/82/81/818928281.db2.gz JNKYWDUCQJBDNA-CQSZACIVSA-N 0 0 376.482 4.328 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000023445075 818941717 /nfs/dbraw/zinc/94/17/17/818941717.db2.gz HWIGZDRGDGFEGU-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(C)cc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000410035629 823375995 /nfs/dbraw/zinc/37/59/95/823375995.db2.gz DIODUKRRAVMCAT-OAHLLOKOSA-N 0 0 378.432 4.103 20 5 GIBDRN Cc1occc1-c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1Cc1ccccc1 ZINC000023615394 818965226 /nfs/dbraw/zinc/96/52/26/818965226.db2.gz SGIAHWCKPKJESM-UHFFFAOYSA-N 0 0 393.428 4.349 20 5 GIBDRN CCOC(=O)c1nc(-c2ccccc2)oc1COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000572663037 823377991 /nfs/dbraw/zinc/37/79/91/823377991.db2.gz CXQBVYWIAYYSKK-UHFFFAOYSA-N 0 0 397.387 4.017 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000460408350 823379390 /nfs/dbraw/zinc/37/93/90/823379390.db2.gz BQTALCRJKIRDFR-IBGZPJMESA-N 0 0 398.459 4.173 20 5 GIBDRN CN1c2ccccc2C(=O)N[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000024098592 819023433 /nfs/dbraw/zinc/02/34/33/819023433.db2.gz LXILZRXKWAEDIX-FQEVSTJZSA-N 0 0 393.374 4.405 20 5 GIBDRN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000024193424 819031481 /nfs/dbraw/zinc/03/14/81/819031481.db2.gz AXKBACAGSHTADC-UHFFFAOYSA-N 0 0 388.836 4.165 20 5 GIBDRN COc1ccc(OC)c(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000024212032 819034397 /nfs/dbraw/zinc/03/43/97/819034397.db2.gz FDPFMUDZFVMCPU-UHFFFAOYSA-N 0 0 392.411 4.455 20 5 GIBDRN COc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000024220925 819036094 /nfs/dbraw/zinc/03/60/94/819036094.db2.gz SRRUXJAOTQZPNW-AWEZNQCLSA-N 0 0 380.400 4.013 20 5 GIBDRN COc1ccc(N(Cc2cccs2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000024227692 819037830 /nfs/dbraw/zinc/03/78/30/819037830.db2.gz XUNBBKDYOGTPPD-UHFFFAOYSA-N 0 0 398.440 4.277 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(-n2cccn2)cc1 ZINC000024418804 819055579 /nfs/dbraw/zinc/05/55/79/819055579.db2.gz OSRHQVVRSJCBQD-CQSZACIVSA-N 0 0 383.429 4.005 20 5 GIBDRN Cc1sc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000024439921 819057052 /nfs/dbraw/zinc/05/70/52/819057052.db2.gz QYUYFCPYIGOGJS-UHFFFAOYSA-N 0 0 378.303 4.297 20 5 GIBDRN CCCOc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC000024470308 819061549 /nfs/dbraw/zinc/06/15/49/819061549.db2.gz ZVIJFIHGXHZCPX-UHFFFAOYSA-N 0 0 386.433 4.098 20 5 GIBDRN Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000024506119 819066156 /nfs/dbraw/zinc/06/61/56/819066156.db2.gz DADUWQOHAXDCKP-LBPRGKRZSA-N 0 0 392.371 4.353 20 5 GIBDRN Cc1cc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000024520962 819067229 /nfs/dbraw/zinc/06/72/29/819067229.db2.gz WMUCRQCLLJDDTM-UHFFFAOYSA-N 0 0 386.738 4.176 20 5 GIBDRN CSc1ccc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000460432296 823387545 /nfs/dbraw/zinc/38/75/45/823387545.db2.gz BSUUTOQGMFRFLC-LLVKDONJSA-N 0 0 380.853 4.167 20 5 GIBDRN CC(C)c1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000189288129 823387705 /nfs/dbraw/zinc/38/77/05/823387705.db2.gz ZZHATFZBAYXONY-UHFFFAOYSA-N 0 0 380.448 4.299 20 5 GIBDRN Cc1ccc(OC2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cc1C ZINC000058427920 823390101 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GIBDRN COC(=O)c1cc(Cl)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000460457242 823395805 /nfs/dbraw/zinc/39/58/05/823395805.db2.gz KOADMCMFEVIAHZ-UHFFFAOYSA-N 0 0 383.187 4.249 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])NCC(c1ccccc1)c1ccccc1 ZINC000410134499 823398700 /nfs/dbraw/zinc/39/87/00/823398700.db2.gz ISCXTJRAGRUKJV-UHFFFAOYSA-N 0 0 375.428 4.226 20 5 GIBDRN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460461919 823397760 /nfs/dbraw/zinc/39/77/60/823397760.db2.gz RHHJLJJKXDDHJR-JHJVBQTASA-N 0 0 386.370 4.235 20 5 GIBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177202746 823398167 /nfs/dbraw/zinc/39/81/67/823398167.db2.gz SKCCYYGSOSSWSR-UHFFFAOYSA-N 0 0 396.378 4.103 20 5 GIBDRN CC(C)NC(=O)c1ccc(NCCCO[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000058489068 823398941 /nfs/dbraw/zinc/39/89/41/823398941.db2.gz WNNKQDSQVRIJQH-MRXNPFEDSA-N 0 0 385.464 4.313 20 5 GIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000058491045 823399321 /nfs/dbraw/zinc/39/93/21/823399321.db2.gz WHSYLTLAUKKLEV-UHFFFAOYSA-N 0 0 394.818 4.409 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(Br)s1 ZINC000460467223 823399551 /nfs/dbraw/zinc/39/95/51/823399551.db2.gz FZTAEQKNEQVOQL-UHFFFAOYSA-N 0 0 389.658 4.311 20 5 GIBDRN O=C(Nc1ccsc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189359690 823400367 /nfs/dbraw/zinc/40/03/67/823400367.db2.gz ZCHWHOILEXIGCP-UHFFFAOYSA-N 0 0 381.841 4.385 20 5 GIBDRN O=C(CCSc1ccc(F)cc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572796921 823400495 /nfs/dbraw/zinc/40/04/95/823400495.db2.gz BDEZCRGCTIMHIR-UHFFFAOYSA-N 0 0 387.436 4.056 20 5 GIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000460473634 823400818 /nfs/dbraw/zinc/40/08/18/823400818.db2.gz RUZUDJYGSYXAIQ-AWEZNQCLSA-N 0 0 394.880 4.440 20 5 GIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000410145307 823401249 /nfs/dbraw/zinc/40/12/49/823401249.db2.gz KOPSFCNOXSPFRL-WGSAOQKQSA-N 0 0 393.487 4.182 20 5 GIBDRN COc1cccc(F)c1[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000460475790 823401817 /nfs/dbraw/zinc/40/18/17/823401817.db2.gz KXFCMDDFRQQAME-NWDGAFQWSA-N 0 0 378.425 4.101 20 5 GIBDRN O=C(Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000177246158 823408625 /nfs/dbraw/zinc/40/86/25/823408625.db2.gz WXTSKCCLQDAKJB-UHFFFAOYSA-N 0 0 387.439 4.339 20 5 GIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1noc(-c2ccsc2)n1 ZINC000122792688 823413082 /nfs/dbraw/zinc/41/30/82/823413082.db2.gz KAXXZVOWDXIYQG-UHFFFAOYSA-N 0 0 382.195 4.048 20 5 GIBDRN CC(C)c1c(C(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000460511456 823413269 /nfs/dbraw/zinc/41/32/69/823413269.db2.gz WPDKLIWTDLJFDD-UHFFFAOYSA-N 0 0 396.422 4.016 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(COc2ccccc2)cc1 ZINC000460502807 823410496 /nfs/dbraw/zinc/41/04/96/823410496.db2.gz JROZZNNACWNYIZ-UHFFFAOYSA-N 0 0 376.412 4.146 20 5 GIBDRN COc1ccc(CN(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1C ZINC000572887740 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4.448 20 5 GIBDRN COc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)sc1Br ZINC000122905787 823431951 /nfs/dbraw/zinc/43/19/51/823431951.db2.gz OCLIYBPPNVQKBE-MRVPVSSYSA-N 0 0 397.250 4.019 20 5 GIBDRN Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000024733061 819869496 /nfs/dbraw/zinc/86/94/96/819869496.db2.gz TYJQFZOCWALOLJ-UHFFFAOYSA-N 0 0 386.738 4.176 20 5 GIBDRN CC[C@H](C(=O)OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000024958889 819900573 /nfs/dbraw/zinc/90/05/73/819900573.db2.gz ULXRDVWMZHIYNZ-AWEZNQCLSA-N 0 0 395.358 4.442 20 5 GIBDRN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025301955 819957983 /nfs/dbraw/zinc/95/79/83/819957983.db2.gz YJLGTWLDBAFCAM-UHFFFAOYSA-N 0 0 389.371 4.051 20 5 GIBDRN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000025309017 819959901 /nfs/dbraw/zinc/95/99/01/819959901.db2.gz JCWQQRPNTAQBGL-HXUWFJFHSA-N 0 0 393.399 4.068 20 5 GIBDRN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Sc1ccccc1 ZINC000177348077 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ZINC000046361740 822466022 /nfs/dbraw/zinc/46/60/22/822466022.db2.gz AEBLKTOIVIBGAX-UHFFFAOYSA-N 0 0 387.486 4.345 20 5 GIBDRN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC(C)C ZINC000183417208 822471327 /nfs/dbraw/zinc/47/13/27/822471327.db2.gz LKCATNSQUBPYFK-UHFFFAOYSA-N 0 0 378.812 4.225 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cc1OC ZINC000179442850 822483761 /nfs/dbraw/zinc/48/37/61/822483761.db2.gz GHJBICRSCJBKIV-RBZFPXEDSA-N 0 0 384.432 4.056 20 5 GIBDRN Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000183487310 822483947 /nfs/dbraw/zinc/48/39/47/822483947.db2.gz GPVCIDBYGSORPO-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN CCOc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1OC ZINC000454511334 822487733 /nfs/dbraw/zinc/48/77/33/822487733.db2.gz YSFPGVYJCUGSPG-INIZCTEOSA-N 0 0 399.447 4.414 20 5 GIBDRN C[C@@H](C(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000183530669 822490779 /nfs/dbraw/zinc/49/07/79/822490779.db2.gz CVLQWAIDNLVPCK-CQSZACIVSA-N 0 0 395.390 4.341 20 5 GIBDRN C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000454526344 822491595 /nfs/dbraw/zinc/49/15/95/822491595.db2.gz UHGKQBBKKIJVAV-BKTGTZMESA-N 0 0 387.411 4.014 20 5 GIBDRN COc1cc(CN[C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000183557842 822494346 /nfs/dbraw/zinc/49/43/46/822494346.db2.gz XXOWDBIKMMBUFX-OAHLLOKOSA-N 0 0 399.419 4.211 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000183618267 822502186 /nfs/dbraw/zinc/50/21/86/822502186.db2.gz IHJZTKKYHJCIBB-MRXNPFEDSA-N 0 0 395.459 4.101 20 5 GIBDRN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179556401 822503101 /nfs/dbraw/zinc/50/31/01/822503101.db2.gz KEDCQSJLHWWTAU-HNNXBMFYSA-N 0 0 383.404 4.249 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000454627926 822508827 /nfs/dbraw/zinc/50/88/27/822508827.db2.gz YTADCMANAFXREZ-CABCVRRESA-N 0 0 398.463 4.314 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)nc1-c1ccccc1 ZINC000179597144 822509624 /nfs/dbraw/zinc/50/96/24/822509624.db2.gz QMQSTVQDRGXJQB-INIZCTEOSA-N 0 0 390.447 4.036 20 5 GIBDRN Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000183681306 822510492 /nfs/dbraw/zinc/51/04/92/822510492.db2.gz HSVLDYLYRZISGM-UHFFFAOYSA-N 0 0 389.371 4.062 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000454656878 822512901 /nfs/dbraw/zinc/51/29/01/822512901.db2.gz CMDIXACHGRFRNZ-JKSUJKDBSA-N 0 0 382.464 4.316 20 5 GIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000179624427 822514788 /nfs/dbraw/zinc/51/47/88/822514788.db2.gz JCZMBFYNYJLTKL-UHFFFAOYSA-N 0 0 390.827 4.309 20 5 GIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000179627218 822515510 /nfs/dbraw/zinc/51/55/10/822515510.db2.gz UHYPILXWLPYZAS-UHFFFAOYSA-N 0 0 390.827 4.309 20 5 GIBDRN COc1cc(CN(C)Cc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000183738127 822519314 /nfs/dbraw/zinc/51/93/14/822519314.db2.gz FKIZNSHQJTYYSS-UHFFFAOYSA-N 0 0 393.443 4.209 20 5 GIBDRN CC[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1c(C)noc1C ZINC000454714234 822522350 /nfs/dbraw/zinc/52/23/50/822522350.db2.gz KPHDJQCCCOWJAP-WMZOPIPTSA-N 0 0 386.452 4.240 20 5 GIBDRN Cc1scc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C ZINC000179666536 822523222 /nfs/dbraw/zinc/52/32/22/822523222.db2.gz SDFKWJSXQLTVTR-MRXNPFEDSA-N 0 0 390.461 4.086 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1COc2ccccc21 ZINC000454726805 822524183 /nfs/dbraw/zinc/52/41/83/822524183.db2.gz YVGCXIZCUWUNTF-VPWXQRGCSA-N 0 0 395.459 4.049 20 5 GIBDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)c1 ZINC000183764054 822524626 /nfs/dbraw/zinc/52/46/26/822524626.db2.gz JIBWKFOMVHHTPI-MRXNPFEDSA-N 0 0 375.428 4.390 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000179675290 822524711 /nfs/dbraw/zinc/52/47/11/822524711.db2.gz BUBHZANTIHEZOE-MAUKXSAKSA-N 0 0 391.374 4.142 20 5 GIBDRN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)c1 ZINC000183773401 822526377 /nfs/dbraw/zinc/52/63/77/822526377.db2.gz CDPODEGRLAAJMS-SFHVURJKSA-N 0 0 390.443 4.027 20 5 GIBDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000454751904 822528173 /nfs/dbraw/zinc/52/81/73/822528173.db2.gz PBHZSVQVPFAAMM-SCTDSRPQSA-N 0 0 389.496 4.078 20 5 GIBDRN C[C@H](NC(=O)N1CCc2c(Cl)cc(F)cc2C1)c1ccccc1[N+](=O)[O-] ZINC000454760033 822529300 /nfs/dbraw/zinc/52/93/00/822529300.db2.gz MHMNVXQHVXIXPF-NSHDSACASA-N 0 0 377.803 4.216 20 5 GIBDRN Cc1cccc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000183798630 822529361 /nfs/dbraw/zinc/52/93/61/822529361.db2.gz LHGNULNNQZJYPV-MRXNPFEDSA-N 0 0 394.349 4.136 20 5 GIBDRN COc1cc(CSc2nnc(-c3ccccc3C)n2C)c([N+](=O)[O-])cc1F ZINC000183833933 822533681 /nfs/dbraw/zinc/53/36/81/822533681.db2.gz OXGXYCVALQIZGW-UHFFFAOYSA-N 0 0 388.424 4.139 20 5 GIBDRN O=C(NC[C@@H]1CC12CCOCC2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000454804205 822537411 /nfs/dbraw/zinc/53/74/11/822537411.db2.gz FGKCQHCFPHMGFA-HNNXBMFYSA-N 0 0 397.431 4.325 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454808511 822538184 /nfs/dbraw/zinc/53/81/84/822538184.db2.gz XRGUOYOHVVFDTA-INIZCTEOSA-N 0 0 375.812 4.278 20 5 GIBDRN COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(C)C ZINC000183892362 822541576 /nfs/dbraw/zinc/54/15/76/822541576.db2.gz BOPUIDDJULNWIK-LBPRGKRZSA-N 0 0 376.384 4.272 20 5 GIBDRN Cc1ccc(NC(=O)N2Cc3cccc(Br)c3C2)cc1[N+](=O)[O-] ZINC000183892505 822541604 /nfs/dbraw/zinc/54/16/04/822541604.db2.gz PJQJFCNILANQRU-UHFFFAOYSA-N 0 0 376.210 4.213 20 5 GIBDRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC ZINC000047109972 822545048 /nfs/dbraw/zinc/54/50/48/822545048.db2.gz AGGOKVFDLVEQCO-GFCCVEGCSA-N 0 0 390.461 4.133 20 5 GIBDRN Cc1c(NC(=O)N2Cc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC000183940327 822550993 /nfs/dbraw/zinc/55/09/93/822550993.db2.gz WTWFEACYMRPCNL-UHFFFAOYSA-N 0 0 376.210 4.213 20 5 GIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2s1 ZINC000047175881 822551342 /nfs/dbraw/zinc/55/13/42/822551342.db2.gz SQIQIDHRJOYOEQ-UHFFFAOYSA-N 0 0 398.444 4.124 20 5 GIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2[N+](=O)[O-])CC1 ZINC000047178710 822551460 /nfs/dbraw/zinc/55/14/60/822551460.db2.gz KCXOMDXTKVNILX-UHFFFAOYSA-N 0 0 391.431 4.027 20 5 GIBDRN Cc1cccc(NC(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000047206619 822554361 /nfs/dbraw/zinc/55/43/61/822554361.db2.gz FFAOLXIRKBLISO-UHFFFAOYSA-N 0 0 396.447 4.094 20 5 GIBDRN COc1ccc([C@H]2C[C@H](NC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000454912076 822555283 /nfs/dbraw/zinc/55/52/83/822555283.db2.gz FSCTWELKPYNPCO-RCBQFDQVSA-N 0 0 387.411 4.049 20 5 GIBDRN CNC(=O)C1CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000179822499 822560114 /nfs/dbraw/zinc/56/01/14/822560114.db2.gz GYQMWEJPTYZLJQ-UHFFFAOYSA-N 0 0 399.516 4.012 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000454938011 822560252 /nfs/dbraw/zinc/56/02/52/822560252.db2.gz DOQFXKSBVNUKEM-UHFFFAOYSA-N 0 0 381.432 4.312 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000454949821 822562155 /nfs/dbraw/zinc/56/21/55/822562155.db2.gz XKKUDWLHCVCGQI-GFCCVEGCSA-N 0 0 379.338 4.438 20 5 GIBDRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000179852739 822566457 /nfs/dbraw/zinc/56/64/57/822566457.db2.gz NJSJNUCVPHBAOD-UHFFFAOYSA-N 0 0 387.346 4.235 20 5 GIBDRN Cc1cnc([C@@H](C)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000184046956 822570157 /nfs/dbraw/zinc/57/01/57/822570157.db2.gz GSHATQZUHUJFJC-JTQLQIEISA-N 0 0 388.474 4.017 20 5 GIBDRN COc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000047360618 822570750 /nfs/dbraw/zinc/57/07/50/822570750.db2.gz GAMXJSZVYIFVOU-JTQLQIEISA-N 0 0 379.800 4.148 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)Nc2ncccc2Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000179882170 822571046 /nfs/dbraw/zinc/57/10/46/822571046.db2.gz QGWIBODEWONJMC-GFCCVEGCSA-N 0 0 397.822 4.464 20 5 GIBDRN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000047371774 822571579 /nfs/dbraw/zinc/57/15/79/822571579.db2.gz CSTKHQPHDOSTCA-UHFFFAOYSA-N 0 0 385.383 4.299 20 5 GIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ncccc3Cl)cc2[N+](=O)[O-])C1 ZINC000179952334 822584686 /nfs/dbraw/zinc/58/46/86/822584686.db2.gz IONHCMAKAYNLIS-STQMWFEESA-N 0 0 388.855 4.378 20 5 GIBDRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000184157157 822587441 /nfs/dbraw/zinc/58/74/41/822587441.db2.gz KTBKMTBBMHYQRZ-UHFFFAOYSA-N 0 0 399.447 4.243 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000455089011 822587561 /nfs/dbraw/zinc/58/75/61/822587561.db2.gz CHFFDXPHJFRKQB-HNAYVOBHSA-N 0 0 399.447 4.038 20 5 GIBDRN C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455095577 822588308 /nfs/dbraw/zinc/58/83/08/822588308.db2.gz QOWUEAHORCWXEM-INIZCTEOSA-N 0 0 383.448 4.047 20 5 GIBDRN COc1cccc(C2=CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000455097125 822588466 /nfs/dbraw/zinc/58/84/66/822588466.db2.gz SAHGDZCRFDCYOB-HNNXBMFYSA-N 0 0 381.432 4.163 20 5 GIBDRN COc1cccc(C2CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000455110743 822590288 /nfs/dbraw/zinc/59/02/88/822590288.db2.gz PZYVBOPMDISGMR-HNNXBMFYSA-N 0 0 383.448 4.254 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000455142281 822595977 /nfs/dbraw/zinc/59/59/77/822595977.db2.gz OOWNLRZJMGUUHT-XJKSGUPXSA-N 0 0 375.450 4.315 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC=C(c2ccc(F)cc2)CC1 ZINC000180051235 822604869 /nfs/dbraw/zinc/60/48/69/822604869.db2.gz MVUBGDSHJIBBFH-UHFFFAOYSA-N 0 0 392.333 4.265 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000047758243 822606709 /nfs/dbraw/zinc/60/67/09/822606709.db2.gz ULFNIJRIOPCDHM-AWEZNQCLSA-N 0 0 396.447 4.150 20 5 GIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nccs1 ZINC000184283692 822608577 /nfs/dbraw/zinc/60/85/77/822608577.db2.gz CFTIDWYYKQRBEP-ZDUSSCGKSA-N 0 0 383.429 4.377 20 5 GIBDRN CC[C@@](C)(O)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184297995 822610582 /nfs/dbraw/zinc/61/05/82/822610582.db2.gz UZIRHIXBHBQQOI-GOSISDBHSA-N 0 0 394.880 4.290 20 5 GIBDRN O=C(NCc1ccc(Cl)s1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865903 822615276 /nfs/dbraw/zinc/61/52/76/822615276.db2.gz HHGAHOJCXSZWAN-UHFFFAOYSA-N 0 0 377.756 4.233 20 5 GIBDRN CN(Cc1ccc(F)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865411 822615280 /nfs/dbraw/zinc/61/52/80/822615280.db2.gz QVKIGSHUSZHOCX-UHFFFAOYSA-N 0 0 387.289 4.138 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)o1 ZINC000184336176 822617667 /nfs/dbraw/zinc/61/76/67/822617667.db2.gz 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CCOc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000456713944 822826059 /nfs/dbraw/zinc/82/60/59/822826059.db2.gz WWBBEAQTJWXJHD-QGZVFWFLSA-N 0 0 394.431 4.237 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@]2(CCOC2)C1 ZINC000456717121 822826469 /nfs/dbraw/zinc/82/64/69/822826469.db2.gz LRCMJTAQTBEQKI-OAQYLSRUSA-N 0 0 398.484 4.389 20 5 GIBDRN CN(Cc1csc2ccccc12)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000053311124 822829973 /nfs/dbraw/zinc/82/99/73/822829973.db2.gz MYRZVJXTZIENKU-UHFFFAOYSA-N 0 0 392.440 4.267 20 5 GIBDRN CSc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174734166 822830072 /nfs/dbraw/zinc/83/00/72/822830072.db2.gz AZMPTLDNRABDIY-UHFFFAOYSA-N 0 0 387.461 4.392 20 5 GIBDRN CC(C)CCc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)nc1 ZINC000456790428 822831240 /nfs/dbraw/zinc/83/12/40/822831240.db2.gz WWIHKBKJXWDITA-UHFFFAOYSA-N 0 0 380.404 4.085 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000053424957 822834497 /nfs/dbraw/zinc/83/44/97/822834497.db2.gz NTNZUEHPKPNQBF-GFCCVEGCSA-N 0 0 382.445 4.221 20 5 GIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456828966 822835920 /nfs/dbraw/zinc/83/59/20/822835920.db2.gz HOOUWYZOTXZSAO-LJQANCHMSA-N 0 0 385.370 4.191 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000456837934 822836889 /nfs/dbraw/zinc/83/68/89/822836889.db2.gz NWPKSHRKJLDTSH-KRWDZBQOSA-N 0 0 390.386 4.314 20 5 GIBDRN CSc1cccc(C(=O)NCCCSc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000185979665 822840430 /nfs/dbraw/zinc/84/04/30/822840430.db2.gz AIRVMLNYNKEYST-UHFFFAOYSA-N 0 0 380.466 4.368 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)c1 ZINC000456918273 822841522 /nfs/dbraw/zinc/84/15/22/822841522.db2.gz FKSXVDDQHSQTPJ-SHTZXODSSA-N 0 0 379.416 4.103 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000456927043 822842347 /nfs/dbraw/zinc/84/23/47/822842347.db2.gz RXMDGDIBYDKMBD-CZIWCDLHSA-N 0 0 380.400 4.368 20 5 GIBDRN CSc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000186007025 822843281 /nfs/dbraw/zinc/84/32/81/822843281.db2.gz MMHSEOMHXKOQRA-UHFFFAOYSA-N 0 0 382.894 4.492 20 5 GIBDRN Cc1ccnc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000053760579 822847344 /nfs/dbraw/zinc/84/73/44/822847344.db2.gz QGICRWJDJXLGAQ-CQSZACIVSA-N 0 0 377.404 4.119 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000174888329 822851017 /nfs/dbraw/zinc/85/10/17/822851017.db2.gz BKVOLELBOWVZTK-GHMZBOCLSA-N 0 0 383.326 4.271 20 5 GIBDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186107961 822852301 /nfs/dbraw/zinc/85/23/01/822852301.db2.gz DPUPWCSTKLJCIF-UHFFFAOYSA-N 0 0 384.339 4.123 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(CC1)OCCc1ccccc12 ZINC000457124776 822855763 /nfs/dbraw/zinc/85/57/63/822855763.db2.gz XLHUEZDVDNVYPT-UHFFFAOYSA-N 0 0 392.411 4.045 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000457159602 822857969 /nfs/dbraw/zinc/85/79/69/822857969.db2.gz GZEAVNDSISWMLJ-GOSISDBHSA-N 0 0 392.521 4.374 20 5 GIBDRN CCn1cc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000186187214 822859171 /nfs/dbraw/zinc/85/91/71/822859171.db2.gz RWGCZIKDEXDEFS-GOSISDBHSA-N 0 0 399.838 4.257 20 5 GIBDRN Cc1nc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n[nH]1 ZINC000186192469 822859639 /nfs/dbraw/zinc/85/96/39/822859639.db2.gz ALDOAANKFQAJSK-UHFFFAOYSA-N 0 0 389.824 4.078 20 5 GIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000186221876 822862026 /nfs/dbraw/zinc/86/20/26/822862026.db2.gz ATLSPEXNTLPQSK-KZULUSFZSA-N 0 0 392.814 4.091 20 5 GIBDRN CSc1cccc(C(=O)N(CC(F)(F)F)c2nc(C)cs2)c1[N+](=O)[O-] ZINC000186234909 822863548 /nfs/dbraw/zinc/86/35/48/822863548.db2.gz IUPBVIZTFSNXOI-UHFFFAOYSA-N 0 0 391.396 4.291 20 5 GIBDRN CCC1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000457291026 822863637 /nfs/dbraw/zinc/86/36/37/822863637.db2.gz CDTBLFYEZMWBAP-UHFFFAOYSA-N 0 0 384.457 4.030 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1[N+](=O)[O-] ZINC000186238905 822863800 /nfs/dbraw/zinc/86/38/00/822863800.db2.gz KZJPJYMMKTXRKK-UHFFFAOYSA-N 0 0 387.461 4.016 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1[N+](=O)[O-] ZINC000457320923 822864983 /nfs/dbraw/zinc/86/49/83/822864983.db2.gz AZDYHJKPZXBZAS-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN CCCCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000175011550 822866927 /nfs/dbraw/zinc/86/69/27/822866927.db2.gz PWZZKEFWNOORET-UHFFFAOYSA-N 0 0 387.402 4.136 20 5 GIBDRN COc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000175012069 822867181 /nfs/dbraw/zinc/86/71/81/822867181.db2.gz GRZLRSCMSCJDFY-SNVBAGLBSA-N 0 0 394.225 4.249 20 5 GIBDRN Cc1csc(C2(NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)n1 ZINC000175019676 822868616 /nfs/dbraw/zinc/86/86/16/822868616.db2.gz QGYRYJFABYYZNS-UHFFFAOYSA-N 0 0 394.884 4.011 20 5 GIBDRN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000054271015 822872075 /nfs/dbraw/zinc/87/20/75/822872075.db2.gz PZZTXEUPGAYXII-ZDUSSCGKSA-N 0 0 399.472 4.013 20 5 GIBDRN O=C(Nc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175044969 822873039 /nfs/dbraw/zinc/87/30/39/822873039.db2.gz IGEVLXNQXLNKCA-UHFFFAOYSA-N 0 0 376.237 4.467 20 5 GIBDRN Cc1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cs2)o1 ZINC000186306773 822873885 /nfs/dbraw/zinc/87/38/85/822873885.db2.gz HOIFPTAODIODCH-UHFFFAOYSA-N 0 0 391.836 4.132 20 5 GIBDRN CC(C)NC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000054302945 822874203 /nfs/dbraw/zinc/87/42/03/822874203.db2.gz DRWDYSIYNGLOTM-UHFFFAOYSA-N 0 0 383.429 4.200 20 5 GIBDRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000186315791 822875253 /nfs/dbraw/zinc/87/52/53/822875253.db2.gz QWBCGHYPZVMOAR-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000054314684 822875474 /nfs/dbraw/zinc/87/54/74/822875474.db2.gz UEAMEHLRSHSADK-LLVKDONJSA-N 0 0 382.445 4.100 20 5 GIBDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186327044 822876652 /nfs/dbraw/zinc/87/66/52/822876652.db2.gz MBNGEFGWAMHLJC-OAHLLOKOSA-N 0 0 399.205 4.254 20 5 GIBDRN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nc(-c2ccccc2Cl)cs1 ZINC000186336603 822877926 /nfs/dbraw/zinc/87/79/26/822877926.db2.gz VLUWOZPNWHYGPN-UHFFFAOYSA-N 0 0 398.831 4.130 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000054386006 822880450 /nfs/dbraw/zinc/88/04/50/822880450.db2.gz ZLGSWIQMXQCUKL-UHFFFAOYSA-N 0 0 391.431 4.022 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1[N+](=O)[O-] ZINC000569147091 822884046 /nfs/dbraw/zinc/88/40/46/822884046.db2.gz NONBGFYKDKOPIS-UHFFFAOYSA-N 0 0 390.443 4.234 20 5 GIBDRN CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000054427112 822884107 /nfs/dbraw/zinc/88/41/07/822884107.db2.gz LLFMFGQUXBWFTG-UHFFFAOYSA-N 0 0 385.376 4.312 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(C2CCSCC2)no1 ZINC000569153780 822884897 /nfs/dbraw/zinc/88/48/97/822884897.db2.gz PKMYUIPWKPYSQE-UHFFFAOYSA-N 0 0 384.255 4.326 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000175144536 822891286 /nfs/dbraw/zinc/89/12/86/822891286.db2.gz DLIZNXZHBUJEPV-OAGGEKHMSA-N 0 0 382.464 4.424 20 5 GIBDRN Cc1sc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000175148367 822892161 /nfs/dbraw/zinc/89/21/61/822892161.db2.gz DQWLXVDVARNYHJ-UHFFFAOYSA-N 0 0 376.434 4.101 20 5 GIBDRN CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000175154142 822893489 /nfs/dbraw/zinc/89/34/89/822893489.db2.gz IXSHVYYWIAPBEZ-UHFFFAOYSA-N 0 0 399.447 4.457 20 5 GIBDRN C[C@]1(CCc2ccccc2)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000569218992 822894127 /nfs/dbraw/zinc/89/41/27/822894127.db2.gz HVBHGONIPDHNGH-NRFANRHFSA-N 0 0 378.432 4.093 20 5 GIBDRN O=C(Nc1ccc(Cl)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175159056 822894540 /nfs/dbraw/zinc/89/45/40/822894540.db2.gz IZLXPSOBRHRJFC-UHFFFAOYSA-N 0 0 393.802 4.463 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](COCC(C)C)c2ccco2)c1[N+](=O)[O-] ZINC000186439793 822896077 /nfs/dbraw/zinc/89/60/77/822896077.db2.gz LCZZNRRWQHDWQN-AWEZNQCLSA-N 0 0 378.450 4.053 20 5 GIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCc2c(F)ccc(F)c2C1 ZINC000569275805 822899782 /nfs/dbraw/zinc/89/97/82/822899782.db2.gz HOWGBVOKTAXQQE-UHFFFAOYSA-N 0 0 386.276 4.090 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000175190900 822900958 /nfs/dbraw/zinc/90/09/58/822900958.db2.gz JUJMDBVNOPZJPR-ZIAGYGMSSA-N 0 0 386.408 4.241 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000054644087 822900980 /nfs/dbraw/zinc/90/09/80/822900980.db2.gz BJJIEUZKDWRHKJ-INIZCTEOSA-N 0 0 381.354 4.130 20 5 GIBDRN Cc1cc(NCc2noc(-c3ccccc3C)n2)c2cccc([N+](=O)[O-])c2n1 ZINC000569283995 822901323 /nfs/dbraw/zinc/90/13/23/822901323.db2.gz SRLQZEMCHYTSDW-UHFFFAOYSA-N 0 0 375.388 4.422 20 5 GIBDRN Cc1nc(-c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)oc1C ZINC000054672838 822904048 /nfs/dbraw/zinc/90/40/48/822904048.db2.gz FZLCSIYVHNJAHE-UHFFFAOYSA-N 0 0 380.404 4.307 20 5 GIBDRN O=C(Nc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1)c1ccco1 ZINC000175211151 822905231 /nfs/dbraw/zinc/90/52/31/822905231.db2.gz UISOSVJNMQNJOW-UHFFFAOYSA-N 0 0 399.790 4.024 20 5 GIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccnc(C(F)(F)F)c3)no2)c1 ZINC000569390408 822915320 /nfs/dbraw/zinc/91/53/20/822915320.db2.gz AYLWOYKQOAENIB-UHFFFAOYSA-N 0 0 389.293 4.062 20 5 GIBDRN CC(=O)c1ccc(NCc2cccc(NC(=O)c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000054836821 822916592 /nfs/dbraw/zinc/91/65/92/822916592.db2.gz IQJFYZSRCUZZQZ-UHFFFAOYSA-N 0 0 390.399 4.057 20 5 GIBDRN CSc1cccc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000186611814 822923251 /nfs/dbraw/zinc/92/32/51/822923251.db2.gz SYQFKOWBXMHYGM-NSHDSACASA-N 0 0 380.853 4.167 20 5 GIBDRN Cc1cnc([C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)s1 ZINC000175306572 822930574 /nfs/dbraw/zinc/93/05/74/822930574.db2.gz RHQYUGWFDBTEHE-CYBMUJFWSA-N 0 0 398.391 4.234 20 5 GIBDRN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000569561211 822939931 /nfs/dbraw/zinc/93/99/31/822939931.db2.gz XQIWPKFLMPXGBW-CQSZACIVSA-N 0 0 381.423 4.140 20 5 GIBDRN O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000569561210 822940087 /nfs/dbraw/zinc/94/00/87/822940087.db2.gz XQIWPKFLMPXGBW-AWEZNQCLSA-N 0 0 381.423 4.140 20 5 GIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc2c(s1)CCC2 ZINC000457937650 822940404 /nfs/dbraw/zinc/94/04/04/822940404.db2.gz UNGTVHUATMICQA-QMMMGPOBSA-N 0 0 385.367 4.050 20 5 GIBDRN COc1c(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(Cl)cc1C(N)=O ZINC000569598185 822943299 /nfs/dbraw/zinc/94/32/99/822943299.db2.gz ANFDRAIVVXPYGD-INIZCTEOSA-N 0 0 389.839 4.190 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000175359747 822945785 /nfs/dbraw/zinc/94/57/85/822945785.db2.gz HSNMAOGUHBCOLL-UHFFFAOYSA-N 0 0 395.419 4.038 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000055209989 822946122 /nfs/dbraw/zinc/94/61/22/822946122.db2.gz CEUAEOMQKQYZCE-KRWDZBQOSA-N 0 0 396.472 4.370 20 5 GIBDRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000186743497 822948552 /nfs/dbraw/zinc/94/85/52/822948552.db2.gz CQBJNUYYFQREDX-UHFFFAOYSA-N 0 0 387.399 4.198 20 5 GIBDRN COc1cccc(C(=O)Nc2cccc(Cl)c2OCC(F)F)c1[N+](=O)[O-] ZINC000569647293 822949686 /nfs/dbraw/zinc/94/96/86/822949686.db2.gz YPHHHBCTHWZSOS-UHFFFAOYSA-N 0 0 386.738 4.153 20 5 GIBDRN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C(=O)N(C)C ZINC000175375126 822950833 /nfs/dbraw/zinc/95/08/33/822950833.db2.gz OGFFYDOAJLVQCG-UHFFFAOYSA-N 0 0 383.429 4.072 20 5 GIBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458028597 822952020 /nfs/dbraw/zinc/95/20/20/822952020.db2.gz NRSYJZQIVYQVEU-HKUYNNGSSA-N 0 0 390.443 4.189 20 5 GIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055343548 822953643 /nfs/dbraw/zinc/95/36/43/822953643.db2.gz DUQXYYWFULZLHU-KBPBESRZSA-N 0 0 399.422 4.104 20 5 GIBDRN Cc1sc2nc(Sc3ccc([N+](=O)[O-])cn3)n(C(C)C)c(=O)c2c1C ZINC000055351683 822953912 /nfs/dbraw/zinc/95/39/12/822953912.db2.gz FDKHGHJLDSZQKI-UHFFFAOYSA-N 0 0 376.463 4.110 20 5 GIBDRN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000055388433 822956577 /nfs/dbraw/zinc/95/65/77/822956577.db2.gz NUEIGQJVYFDRBS-UHFFFAOYSA-N 0 0 380.379 4.186 20 5 GIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000175393974 822957667 /nfs/dbraw/zinc/95/76/67/822957667.db2.gz DHHCPLYUBMDBDL-VXGBXAGGSA-N 0 0 387.299 4.104 20 5 GIBDRN O=C(NC1CCC(C(F)F)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000458166020 822964408 /nfs/dbraw/zinc/96/44/08/822964408.db2.gz OQOQPJBZSGSUPH-UHFFFAOYSA-N 0 0 396.312 4.090 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000175430067 822966684 /nfs/dbraw/zinc/96/66/84/822966684.db2.gz LNPZNQBQUOVLOF-KXBFYZLASA-N 0 0 388.851 4.454 20 5 GIBDRN Cc1noc(CSc2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000055466525 822966993 /nfs/dbraw/zinc/96/69/93/822966993.db2.gz RXMCAQZAGNHZLH-GFCCVEGCSA-N 0 0 398.444 4.070 20 5 GIBDRN Cc1occc1CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000055475104 822968342 /nfs/dbraw/zinc/96/83/42/822968342.db2.gz RXMQKVYYRUDSAJ-AWEZNQCLSA-N 0 0 394.431 4.337 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000055515244 822973101 /nfs/dbraw/zinc/97/31/01/822973101.db2.gz HOHSPVVHHQITSH-QFBILLFUSA-N 0 0 394.475 4.203 20 5 GIBDRN CSc1cccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c1[N+](=O)[O-] ZINC000186911250 822978512 /nfs/dbraw/zinc/97/85/12/822978512.db2.gz SOAYVQGSKNRGFZ-BQYQJAHWSA-N 0 0 388.430 4.184 20 5 GIBDRN Cc1nn(C)c(C(=O)N(CCCCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000458302898 822980798 /nfs/dbraw/zinc/98/07/98/822980798.db2.gz YCZVGAQPBSDEAC-UHFFFAOYSA-N 0 0 392.459 4.306 20 5 GIBDRN COc1csc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000175494271 822983152 /nfs/dbraw/zinc/98/31/52/822983152.db2.gz FSZOSRSVPAAWCU-UHFFFAOYSA-N 0 0 375.431 4.349 20 5 GIBDRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569949857 822989050 /nfs/dbraw/zinc/98/90/50/822989050.db2.gz LYYLYBWLOHLSRY-INIZCTEOSA-N 0 0 382.460 4.238 20 5 GIBDRN CSc1cccc(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000186968943 822989389 /nfs/dbraw/zinc/98/93/89/822989389.db2.gz VMSSGYNEKTWUCX-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN C[C@H](Nc1ccc2c(c1)C(=O)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175519230 822989588 /nfs/dbraw/zinc/98/95/88/822989588.db2.gz ASOKGILFTRSWMC-NSHDSACASA-N 0 0 387.823 4.206 20 5 GIBDRN O=C(Nc1cccnc1C(F)(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569963395 822990491 /nfs/dbraw/zinc/99/04/91/822990491.db2.gz JKIXDHQMTYANMK-UHFFFAOYSA-N 0 0 390.115 4.023 20 5 GIBDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000055660990 822995413 /nfs/dbraw/zinc/99/54/13/822995413.db2.gz HDHXADWXUWGYHV-MRXNPFEDSA-N 0 0 394.349 4.262 20 5 GIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4csc([N+](=O)[O-])c4)CC3)c2c1 ZINC000055681135 822998000 /nfs/dbraw/zinc/99/80/00/822998000.db2.gz RRJTYKSOVRRWQU-UHFFFAOYSA-N 0 0 385.445 4.166 20 5 GIBDRN O=C(Nc1cc(Br)c(F)cc1Cl)c1csc([N+](=O)[O-])c1 ZINC000175578744 823001430 /nfs/dbraw/zinc/00/14/30/823001430.db2.gz LBVHROBWVOGBOW-UHFFFAOYSA-N 0 0 379.594 4.464 20 5 GIBDRN COc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Br)c(C)c1OC ZINC000570075169 823003458 /nfs/dbraw/zinc/00/34/58/823003458.db2.gz LTIQZEREEXEJCY-SNVBAGLBSA-N 0 0 396.241 4.251 20 5 GIBDRN O=C(NCCOc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175606989 823005760 /nfs/dbraw/zinc/00/57/60/823005760.db2.gz SPBIWDYDSSTKRW-UHFFFAOYSA-N 0 0 388.729 4.076 20 5 GIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000175619611 823007800 /nfs/dbraw/zinc/00/78/00/823007800.db2.gz MOCRPKIJBLIWKF-INIZCTEOSA-N 0 0 390.823 4.243 20 5 GIBDRN O=[N+]([O-])c1c(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)nc2sccn21 ZINC000570194318 823013968 /nfs/dbraw/zinc/01/39/68/823013968.db2.gz FUMWJSFZQXZQKZ-UHFFFAOYSA-N 0 0 385.424 4.308 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC000175658193 823014352 /nfs/dbraw/zinc/01/43/52/823014352.db2.gz CANHGPWWAGFEIC-UHFFFAOYSA-N 0 0 379.210 4.317 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000570238390 823017782 /nfs/dbraw/zinc/01/77/82/823017782.db2.gz XNKBXVMVDGBKLT-GXTWGEPZSA-N 0 0 390.823 4.158 20 5 GIBDRN CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000187169747 823020272 /nfs/dbraw/zinc/02/02/72/823020272.db2.gz UZWFTGMTXPXILT-UHFFFAOYSA-N 0 0 397.475 4.130 20 5 GIBDRN CCOc1cccc([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175700144 823023177 /nfs/dbraw/zinc/02/31/77/823023177.db2.gz ICHFIDVMOJDOPH-LLVKDONJSA-N 0 0 393.237 4.247 20 5 GIBDRN C/C=C/C[C@@H](CO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000187202014 823024243 /nfs/dbraw/zinc/02/42/43/823024243.db2.gz BGYFTLUHCKOTCH-FAAWYNLUSA-N 0 0 390.823 4.097 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000175710656 823025068 /nfs/dbraw/zinc/02/50/68/823025068.db2.gz ZOBHZTTXJLWSCW-OAHLLOKOSA-N 0 0 381.215 4.115 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1[N+](=O)[O-] ZINC000175731629 823028332 /nfs/dbraw/zinc/02/83/32/823028332.db2.gz PUBZBKIYJNYPCA-UHFFFAOYSA-N 0 0 399.403 4.353 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175737183 823029585 /nfs/dbraw/zinc/02/95/85/823029585.db2.gz QHYPZXGNGXEDMS-UHFFFAOYSA-N 0 0 387.682 4.010 20 5 GIBDRN Cc1c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000175760164 823033360 /nfs/dbraw/zinc/03/33/60/823033360.db2.gz JVNWZSLFHXVCAN-GOEBONIOSA-N 0 0 383.404 4.138 20 5 GIBDRN C[C@H]1CN(c2ccccc2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000175760701 823033622 /nfs/dbraw/zinc/03/36/22/823033622.db2.gz OFJRTWYRVFYHQL-STQMWFEESA-N 0 0 389.839 4.114 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175766225 823034837 /nfs/dbraw/zinc/03/48/37/823034837.db2.gz HWDSQTBVLHEILG-LLVKDONJSA-N 0 0 375.812 4.029 20 5 GIBDRN CC(C)N(Cc1ccccn1)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000055737870 823035086 /nfs/dbraw/zinc/03/50/86/823035086.db2.gz LQPUGZPYZHWGRL-KRWDZBQOSA-N 0 0 396.491 4.277 20 5 GIBDRN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000055741603 823035740 /nfs/dbraw/zinc/03/57/40/823035740.db2.gz HWEILLNFLCWRPE-UHFFFAOYSA-N 0 0 381.432 4.172 20 5 GIBDRN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000570428099 823036742 /nfs/dbraw/zinc/03/67/42/823036742.db2.gz OCNVMEBYMCHPLI-UHFFFAOYSA-N 0 0 382.794 4.163 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000570439250 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GNFFROLVOYWNGY-UHFFFAOYSA-N 0 0 396.403 4.167 20 5 GIBDRN Cc1c(CC(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cccc1[N+](=O)[O-] ZINC000124068613 823564819 /nfs/dbraw/zinc/56/48/19/823564819.db2.gz GRWJUYUIFRGBJL-OAHLLOKOSA-N 0 0 380.448 4.254 20 5 GIBDRN O=C(Nc1ccccc1SC(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124072605 823565129 /nfs/dbraw/zinc/56/51/29/823565129.db2.gz LQSRWXZYAPXBBI-UHFFFAOYSA-N 0 0 379.388 4.500 20 5 GIBDRN Cc1ccc(-c2ncco2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124077803 823565602 /nfs/dbraw/zinc/56/56/02/823565602.db2.gz LBLDUIPNZITQRM-UHFFFAOYSA-N 0 0 376.372 4.221 20 5 GIBDRN COc1ccc(N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000124087230 823566504 /nfs/dbraw/zinc/56/65/04/823566504.db2.gz MPSJTWDHOCFMLW-UHFFFAOYSA-N 0 0 399.628 4.296 20 5 GIBDRN Cc1cccc(C(=O)Nc2nnc(SCc3cccs3)s2)c1[N+](=O)[O-] ZINC000060934254 823567785 /nfs/dbraw/zinc/56/77/85/823567785.db2.gz RIJMVDWHJWMWKZ-UHFFFAOYSA-N 0 0 392.487 4.361 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000124150129 823572174 /nfs/dbraw/zinc/57/21/74/823572174.db2.gz OAEUBEDGWGNTSJ-NEPJUHHUSA-N 0 0 384.285 4.375 20 5 GIBDRN CCCc1[nH]nc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000461086045 823573696 /nfs/dbraw/zinc/57/36/96/823573696.db2.gz PFNHLSGVYSQYFW-UHFFFAOYSA-N 0 0 391.840 4.300 20 5 GIBDRN CN(Cc1cc(Br)cs1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411436310 823573970 /nfs/dbraw/zinc/57/39/70/823573970.db2.gz HBBGGBJDJDYDJO-LSDHHAIUSA-N 0 0 395.278 4.181 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(Br)cc1OC ZINC000190455920 823577234 /nfs/dbraw/zinc/57/72/34/823577234.db2.gz FCWCQAHYWZBFFU-LLVKDONJSA-N 0 0 395.253 4.225 20 5 GIBDRN CCOc1cc(NC(=O)CSc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC ZINC000061125561 823579228 /nfs/dbraw/zinc/57/92/28/823579228.db2.gz DWUOMLNZQRJQON-UHFFFAOYSA-N 0 0 390.461 4.431 20 5 GIBDRN CCOc1cc(NC(=O)COc2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC ZINC000061134154 823579928 /nfs/dbraw/zinc/57/99/28/823579928.db2.gz AHGCDVSNNQJKNG-UHFFFAOYSA-N 0 0 388.420 4.027 20 5 GIBDRN CC1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)CC1 ZINC000461130995 823584147 /nfs/dbraw/zinc/58/41/47/823584147.db2.gz SVTBIOWXCFFNFJ-GOSISDBHSA-N 0 0 399.495 4.049 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000411523746 823584422 /nfs/dbraw/zinc/58/44/22/823584422.db2.gz GLLHXKWKWUIHLY-LEWJYISDSA-N 0 0 392.455 4.128 20 5 GIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190578118 823587884 /nfs/dbraw/zinc/58/78/84/823587884.db2.gz KLSFIMJEJOGJMP-IERDGZPVSA-N 0 0 385.464 4.029 20 5 GIBDRN O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124350083 823589263 /nfs/dbraw/zinc/58/92/63/823589263.db2.gz HVALYNBZUBYFOL-UHFFFAOYSA-N 0 0 394.170 4.309 20 5 GIBDRN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000061335304 823592070 /nfs/dbraw/zinc/59/20/70/823592070.db2.gz NNJQWICDYDUVBK-UHFFFAOYSA-N 0 0 392.386 4.266 20 5 GIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](c3cccc(F)c3)c3ccccn3)cc2N1 ZINC000124385219 823592292 /nfs/dbraw/zinc/59/22/92/823592292.db2.gz GCGVZCJKQRXHRU-NRFANRHFSA-N 0 0 392.390 4.215 20 5 GIBDRN CC1(C)CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)CC1 ZINC000461176380 823593463 /nfs/dbraw/zinc/59/34/63/823593463.db2.gz XARMYMAMXMKYBA-GOSISDBHSA-N 0 0 399.495 4.049 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cccc(Br)c1F ZINC000190674046 823597590 /nfs/dbraw/zinc/59/75/90/823597590.db2.gz ZXWBJCZZPFXXAU-UHFFFAOYSA-N 0 0 390.168 4.297 20 5 GIBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1C(F)(F)F ZINC000190694723 823599007 /nfs/dbraw/zinc/59/90/07/823599007.db2.gz NXYGTKIKAGLRKU-CQSZACIVSA-N 0 0 381.354 4.194 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000061510912 823600706 /nfs/dbraw/zinc/60/07/06/823600706.db2.gz YLOMWRZFLJAXJQ-UHFFFAOYSA-N 0 0 394.475 4.031 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000061531447 823602030 /nfs/dbraw/zinc/60/20/30/823602030.db2.gz BJLKOGTZNXTFDO-UHFFFAOYSA-N 0 0 382.351 4.243 20 5 GIBDRN CC1(C)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@@H]1C(F)(F)F ZINC000190721824 823602073 /nfs/dbraw/zinc/60/20/73/823602073.db2.gz HHWVVBUVDIWBAC-HNNXBMFYSA-N 0 0 383.370 4.056 20 5 GIBDRN Cc1ccccc1[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000461247280 823603856 /nfs/dbraw/zinc/60/38/56/823603856.db2.gz KUKLLAPGRYPCRV-UTKZUKDTSA-N 0 0 397.475 4.084 20 5 GIBDRN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411821955 823608529 /nfs/dbraw/zinc/60/85/29/823608529.db2.gz APKNHPMUEJMMJX-FXAWDEMLSA-N 0 0 395.459 4.027 20 5 GIBDRN COc1ccc(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C2CC2)cc1 ZINC000124599207 823609966 /nfs/dbraw/zinc/60/99/66/823609966.db2.gz WGBYEVPHJWDVPO-ZDUSSCGKSA-N 0 0 399.403 4.265 20 5 GIBDRN Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411833869 823610408 /nfs/dbraw/zinc/61/04/08/823610408.db2.gz LELAVRZVBKSASO-AZUAARDMSA-N 0 0 395.459 4.027 20 5 GIBDRN COc1ccccc1CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411883158 823612499 /nfs/dbraw/zinc/61/24/99/823612499.db2.gz ASFDLUFOWXGVHW-LEWJYISDSA-N 0 0 394.471 4.188 20 5 GIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H](C)c2nccs2)cc1OC ZINC000411889684 823613110 /nfs/dbraw/zinc/61/31/10/823613110.db2.gz XSJFGDKRMPTQBT-STQMWFEESA-N 0 0 379.482 4.336 20 5 GIBDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000461298143 823613406 /nfs/dbraw/zinc/61/34/06/823613406.db2.gz WYNAAWHBMUBJSQ-HNNXBMFYSA-N 0 0 385.489 4.058 20 5 GIBDRN Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000124677806 823616455 /nfs/dbraw/zinc/61/64/55/823616455.db2.gz SQRGBFGWFGCQPS-ZDUSSCGKSA-N 0 0 398.444 4.381 20 5 GIBDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000461323778 823617507 /nfs/dbraw/zinc/61/75/07/823617507.db2.gz GUKJVOGYHSFTJO-VLIAUNLRSA-N 0 0 394.406 4.143 20 5 GIBDRN CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000061963077 823620195 /nfs/dbraw/zinc/62/01/95/823620195.db2.gz LZJBIBJMYMAECC-FQEVSTJZSA-N 0 0 397.475 4.245 20 5 GIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CCCCC2)cc1OC ZINC000124725285 823621080 /nfs/dbraw/zinc/62/10/80/823621080.db2.gz OQSFSSVIQKEUQT-UHFFFAOYSA-N 0 0 388.420 4.180 20 5 GIBDRN COc1cc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000412007748 823622038 /nfs/dbraw/zinc/62/20/38/823622038.db2.gz DRYSYWBTTQQEEO-FQEVSTJZSA-N 0 0 386.423 4.096 20 5 GIBDRN O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124773272 823624969 /nfs/dbraw/zinc/62/49/69/823624969.db2.gz KCDALSJCNGJBIT-UHFFFAOYSA-N 0 0 397.822 4.024 20 5 GIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000062297304 823628080 /nfs/dbraw/zinc/62/80/80/823628080.db2.gz PZHPRWHZJVNSKC-UHFFFAOYSA-N 0 0 386.795 4.266 20 5 GIBDRN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461393994 823628846 /nfs/dbraw/zinc/62/88/46/823628846.db2.gz DGTDUECOSGJHGQ-UXHICEINSA-N 0 0 380.444 4.243 20 5 GIBDRN CCc1ccc([C@@H]2CCCCN2C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])o1 ZINC000412136170 823629222 /nfs/dbraw/zinc/62/92/22/823629222.db2.gz USKFGKQLRQGPQV-INIZCTEOSA-N 0 0 390.411 4.194 20 5 GIBDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461397677 823629336 /nfs/dbraw/zinc/62/93/36/823629336.db2.gz CFDZZKZEOKHHHQ-GFCCVEGCSA-N 0 0 392.864 4.150 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c1F ZINC000412149444 823630581 /nfs/dbraw/zinc/63/05/81/823630581.db2.gz BUOYJBJCTNEVDR-WBMJQRKESA-N 0 0 390.411 4.186 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCCC[C@@H]2c2ccco2)c1F ZINC000412156951 823631458 /nfs/dbraw/zinc/63/14/58/823631458.db2.gz LPKWHLAQKICICR-OAHLLOKOSA-N 0 0 376.384 4.022 20 5 GIBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000412166795 823631963 /nfs/dbraw/zinc/63/19/63/823631963.db2.gz XORZJRMJCZGJIH-OAUYIBNBSA-N 0 0 384.436 4.006 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000412185580 823633838 /nfs/dbraw/zinc/63/38/38/823633838.db2.gz MGYTXXYWMVKBLM-FZKQIMNGSA-N 0 0 390.461 4.046 20 5 GIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000124886853 823633932 /nfs/dbraw/zinc/63/39/32/823633932.db2.gz WKWSOOSJGGTETF-QWHCGFSZSA-N 0 0 388.807 4.152 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000191016419 823638473 /nfs/dbraw/zinc/63/84/73/823638473.db2.gz SEOVBYXIEALWFQ-SFHVURJKSA-N 0 0 387.411 4.178 20 5 GIBDRN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000412242874 823639222 /nfs/dbraw/zinc/63/92/22/823639222.db2.gz AIVWGMHLIXPXBP-MHTWAQMVSA-N 0 0 398.434 4.216 20 5 GIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412246750 823639605 /nfs/dbraw/zinc/63/96/05/823639605.db2.gz RNFPRIAVLNISBT-CTSOBWNQSA-N 0 0 388.851 4.244 20 5 GIBDRN CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000461459985 823642089 /nfs/dbraw/zinc/64/20/89/823642089.db2.gz GUCAVOUWDVGFLU-UHFFFAOYSA-N 0 0 386.427 4.407 20 5 GIBDRN CC(C)(C)OC(=O)CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000461474542 823644248 /nfs/dbraw/zinc/64/42/48/823644248.db2.gz OZXVEWGJPARNRS-UHFFFAOYSA-N 0 0 395.415 4.065 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000412315281 823645809 /nfs/dbraw/zinc/64/58/09/823645809.db2.gz LDNATNVRPDYQQV-ZWKOTPCHSA-N 0 0 393.418 4.294 20 5 GIBDRN CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000191088101 823647248 /nfs/dbraw/zinc/64/72/48/823647248.db2.gz BQKGUAIVOVTVLO-UHFFFAOYSA-N 0 0 382.395 4.433 20 5 GIBDRN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1C1CC1 ZINC000412337775 823648137 /nfs/dbraw/zinc/64/81/37/823648137.db2.gz LYZXNEVKDOGYGO-UHFFFAOYSA-N 0 0 386.452 4.364 20 5 GIBDRN Cc1cccc(C(C)(C)CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000062929720 823649420 /nfs/dbraw/zinc/64/94/20/823649420.db2.gz VQVGGOWIHOMSRF-UHFFFAOYSA-N 0 0 392.459 4.011 20 5 GIBDRN CC(=O)N(c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[C@@H]1C ZINC000412357739 823649538 /nfs/dbraw/zinc/64/95/38/823649538.db2.gz AKUXRZYMBGGVIM-KAIZKOENSA-N 0 0 393.443 4.098 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCC1(c2cccc(F)c2)CCCCC1 ZINC000063082532 823650969 /nfs/dbraw/zinc/65/09/69/823650969.db2.gz RECZHVUBAUJMCS-UHFFFAOYSA-N 0 0 386.423 4.131 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000412397937 823652932 /nfs/dbraw/zinc/65/29/32/823652932.db2.gz QBSJLPHBLAQCKX-UHFFFAOYSA-N 0 0 393.365 4.042 20 5 GIBDRN 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ZINC000125323853 823667919 /nfs/dbraw/zinc/66/79/19/823667919.db2.gz RCXXXLJPNMPLLM-CQSZACIVSA-N 0 0 399.422 4.309 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000191322827 823671619 /nfs/dbraw/zinc/67/16/19/823671619.db2.gz ZWULEDMWIHUUDG-SFHVURJKSA-N 0 0 391.374 4.095 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000191328636 823672372 /nfs/dbraw/zinc/67/23/72/823672372.db2.gz LXFPWWURLIDXSW-UHFFFAOYSA-N 0 0 397.475 4.467 20 5 GIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1)C1CCCCCC1 ZINC000461641326 823674113 /nfs/dbraw/zinc/67/41/13/823674113.db2.gz QNNYOOWLCZCWMI-MRXNPFEDSA-N 0 0 399.495 4.049 20 5 GIBDRN C[C@@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[C@@H](C)O1 ZINC000412681941 823674532 /nfs/dbraw/zinc/67/45/32/823674532.db2.gz JSLRNOAWWIAAKI-RBSFLKMASA-N 0 0 386.473 4.289 20 5 GIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000412683465 823674597 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393.390 4.045 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350552 823799130 /nfs/dbraw/zinc/79/91/30/823799130.db2.gz MOXMNSCAZYXCKU-UHFFFAOYSA-N 0 0 375.856 4.406 20 5 GIBDRN Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000064384330 823806012 /nfs/dbraw/zinc/80/60/12/823806012.db2.gz JRMUOOPMYLUURX-ZIAGYGMSSA-N 0 0 375.222 4.408 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000126187962 823808152 /nfs/dbraw/zinc/80/81/52/823808152.db2.gz LYSCJRGYXXWEGX-UHFFFAOYSA-N 0 0 399.422 4.357 20 5 GIBDRN CSCc1ccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000574731638 823812941 /nfs/dbraw/zinc/81/29/41/823812941.db2.gz JKARXLLHTWACOA-UHFFFAOYSA-N 0 0 394.412 4.429 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000064419009 823814443 /nfs/dbraw/zinc/81/44/43/823814443.db2.gz JTRCRHJUWMLXDY-CHWSQXEVSA-N 0 0 392.839 4.292 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064423567 823816798 /nfs/dbraw/zinc/81/67/98/823816798.db2.gz QCLUCHPXIWEZSD-UHFFFAOYSA-N 0 0 380.375 4.494 20 5 GIBDRN COc1cc(CNc2cccc(CO)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191945360 823820094 /nfs/dbraw/zinc/82/00/94/823820094.db2.gz VIGSBHKJGVRTIE-UHFFFAOYSA-N 0 0 394.427 4.287 20 5 GIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413759889 823835459 /nfs/dbraw/zinc/83/54/59/823835459.db2.gz AQSKEBZXZJFOPJ-AWEZNQCLSA-N 0 0 387.436 4.081 20 5 GIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000126307181 823835801 /nfs/dbraw/zinc/83/58/01/823835801.db2.gz KAGNCGQVRBJJHH-UHFFFAOYSA-N 0 0 392.358 4.010 20 5 GIBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(C)cc1C ZINC000413783909 823841013 /nfs/dbraw/zinc/84/10/13/823841013.db2.gz ZVGRDSLEVSTWMM-UHFFFAOYSA-N 0 0 386.404 4.038 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)ccc1[N+](=O)[O-] ZINC000413814108 823843749 /nfs/dbraw/zinc/84/37/49/823843749.db2.gz 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O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000574929407 823862662 /nfs/dbraw/zinc/86/26/62/823862662.db2.gz CTHNOLCOLRDGKQ-LBPRGKRZSA-N 0 0 387.745 4.320 20 5 GIBDRN CCc1c(NC(=O)c2csc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000192129348 823870465 /nfs/dbraw/zinc/87/04/65/823870465.db2.gz UTEWJNWUFXEAMI-UHFFFAOYSA-N 0 0 376.825 4.310 20 5 GIBDRN CCN(CCc1ccccc1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064724018 823872164 /nfs/dbraw/zinc/87/21/64/823872164.db2.gz KBQCJQDIZKCRBS-CQSZACIVSA-N 0 0 376.840 4.107 20 5 GIBDRN O=C(NCCc1ccccc1C(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000064783467 823885918 /nfs/dbraw/zinc/88/59/18/823885918.db2.gz FPUOPPCXVXNCIM-UHFFFAOYSA-N 0 0 377.322 4.067 20 5 GIBDRN COc1cccc2c1N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000064784490 823886286 /nfs/dbraw/zinc/88/62/86/823886286.db2.gz WKDHQISVTYXPLU-GFCCVEGCSA-N 0 0 390.823 4.004 20 5 GIBDRN CC(C)OCC(C)(C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414009250 823888705 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823253068 /nfs/dbraw/zinc/25/30/68/823253068.db2.gz YEKRTWZXWDVWBY-UHFFFAOYSA-N 0 0 381.354 4.184 20 5 GIBDRN O=C(CN(CCc1ccc(F)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571918404 823253911 /nfs/dbraw/zinc/25/39/11/823253911.db2.gz KXZLHBJUIYYABM-UHFFFAOYSA-N 0 0 391.830 4.033 20 5 GIBDRN O=C(NC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccsc1 ZINC000057150655 823255378 /nfs/dbraw/zinc/25/53/78/823255378.db2.gz ALOOHEAZYIYKEZ-UHFFFAOYSA-N 0 0 399.394 4.074 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000001984050 817379431 /nfs/dbraw/zinc/37/94/31/817379431.db2.gz MUPCGQLOPALMQT-ZDUSSCGKSA-N 0 0 390.823 4.357 20 5 GIBDRN CCC[C@H](Nc1cccc(N2CCN(C(C)=O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000188548852 823260628 /nfs/dbraw/zinc/26/06/28/823260628.db2.gz WKPXYFADMIJBIM-QFIPXVFZSA-N 0 0 396.491 4.217 20 5 GIBDRN COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc([N+](=O)[O-])c1C ZINC000188571283 823263443 /nfs/dbraw/zinc/26/34/43/823263443.db2.gz 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ZINC000005749102 817614625 /nfs/dbraw/zinc/61/46/25/817614625.db2.gz NGVHTOSZNFXSMV-UHFFFAOYSA-N 0 0 391.383 4.331 20 5 GIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC1CCC(F)(F)CC1 ZINC000409670396 823279295 /nfs/dbraw/zinc/27/92/95/823279295.db2.gz WSDOVQWSTJCLEC-UHFFFAOYSA-N 0 0 395.328 4.238 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1 ZINC000005966733 817632755 /nfs/dbraw/zinc/63/27/55/817632755.db2.gz CBCYUCPSIJTGQS-UHFFFAOYSA-N 0 0 392.411 4.101 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000005966168 817632851 /nfs/dbraw/zinc/63/28/51/817632851.db2.gz PXVQJJOYKSEIPG-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2c2nc3ccccc3s2)c2ccncc21 ZINC000409655896 823275191 /nfs/dbraw/zinc/27/51/91/823275191.db2.gz KFPHPYWLANFSMJ-GOSISDBHSA-N 0 0 392.440 4.331 20 5 GIBDRN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005970782 817634127 /nfs/dbraw/zinc/63/41/27/817634127.db2.gz 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Cc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000176734609 823280817 /nfs/dbraw/zinc/28/08/17/823280817.db2.gz NSRJMDXDWPIWGH-AWEZNQCLSA-N 0 0 398.463 4.314 20 5 GIBDRN C[C@@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006353866 817682398 /nfs/dbraw/zinc/68/23/98/817682398.db2.gz LNCSEVKPEIFPQW-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000176736849 823281358 /nfs/dbraw/zinc/28/13/58/823281358.db2.gz YKFPDTVSUKKRRD-PKOBYXMFSA-N 0 0 397.475 4.213 20 5 GIBDRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000006422930 817689336 /nfs/dbraw/zinc/68/93/36/817689336.db2.gz SSAVIAWCCDEYCC-UHFFFAOYSA-N 0 0 396.321 4.026 20 5 GIBDRN Cc1cc(F)cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC000176738404 823281692 /nfs/dbraw/zinc/28/16/92/823281692.db2.gz JXCILTNBQSKAFC-ZDUSSCGKSA-N 0 0 383.379 4.203 20 5 GIBDRN C[C@@H](NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000460105027 823285444 /nfs/dbraw/zinc/28/54/44/823285444.db2.gz LSHLZYOYRLABRY-DYVFJYSZSA-N 0 0 399.451 4.243 20 5 GIBDRN CC(C)(C(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000460046423 823282044 /nfs/dbraw/zinc/28/20/44/823282044.db2.gz XZLLBMDSXJLPSM-MRXNPFEDSA-N 0 0 398.459 4.459 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000176757307 823285560 /nfs/dbraw/zinc/28/55/60/823285560.db2.gz SIFWLFFNCILRCT-QGZVFWFLSA-N 0 0 394.349 4.136 20 5 GIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)n1 ZINC000176757553 823285563 /nfs/dbraw/zinc/28/55/63/823285563.db2.gz BBAIRFSLWSVPTI-UHFFFAOYSA-N 0 0 388.330 4.046 20 5 GIBDRN COc1ccc(CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000176740471 823282323 /nfs/dbraw/zinc/28/23/23/823282323.db2.gz PSIVKWYBVKKDOY-OAHLLOKOSA-N 0 0 383.448 4.347 20 5 GIBDRN Cc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006914939 817725270 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20 5 GIBDRN C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007108465 817761723 /nfs/dbraw/zinc/76/17/23/817761723.db2.gz LAIOUSAAPMIPKN-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007108619 817761774 /nfs/dbraw/zinc/76/17/74/817761774.db2.gz MFUNGSRDZGHKRU-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000007108696 817761847 /nfs/dbraw/zinc/76/18/47/817761847.db2.gz RNTPGKHQTWMPGJ-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN C[C@H](OC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000007177628 817782782 /nfs/dbraw/zinc/78/27/82/817782782.db2.gz PTORQHTWJOWIJK-NSHDSACASA-N 0 0 393.321 4.268 20 5 GIBDRN Cc1ccccc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000007185324 817785487 /nfs/dbraw/zinc/78/54/87/817785487.db2.gz PMLQMJQYTSPAAP-UHFFFAOYSA-N 0 0 381.457 4.080 20 5 GIBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000007202807 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380.400 4.163 20 5 GIBDRN CC(C)(C)[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000460128032 823290288 /nfs/dbraw/zinc/29/02/88/823290288.db2.gz IQFXERZKNLMMCZ-IBGZPJMESA-N 0 0 383.448 4.286 20 5 GIBDRN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(Br)c1 ZINC000007323517 817818231 /nfs/dbraw/zinc/81/82/31/817818231.db2.gz VNLBXHLUCUOWCA-UHFFFAOYSA-N 0 0 399.266 4.083 20 5 GIBDRN O=[N+]([O-])c1ccccc1NCCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000007365912 817825073 /nfs/dbraw/zinc/82/50/73/817825073.db2.gz ARLUIQMZNTUJRN-UHFFFAOYSA-N 0 0 386.415 4.124 20 5 GIBDRN O=C(OCc1cc(-c2cccs2)on1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000007371121 817825989 /nfs/dbraw/zinc/82/59/89/817825989.db2.gz OCNQEMPJCZALAG-UHFFFAOYSA-N 0 0 399.428 4.269 20 5 GIBDRN CCc1cc(N2CCC[C@@H]2[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000572152176 823291073 /nfs/dbraw/zinc/29/10/73/823291073.db2.gz OUKJRUCBTOHBFZ-VQIMIIECSA-N 0 0 382.464 4.010 20 5 GIBDRN CC[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007394363 817829822 /nfs/dbraw/zinc/82/98/22/817829822.db2.gz WLHKFMNWKNIZCF-UONOGXRCSA-N 0 0 376.840 4.326 20 5 GIBDRN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000188718180 823292148 /nfs/dbraw/zinc/29/21/48/823292148.db2.gz RAERPFNIKVTEKM-KBAYOESNSA-N 0 0 390.505 4.174 20 5 GIBDRN Cc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000007418090 817835919 /nfs/dbraw/zinc/83/59/19/817835919.db2.gz KJPBTMKWRQXSRV-UHFFFAOYSA-N 0 0 375.233 4.319 20 5 GIBDRN Cc1cc(OCc2nnc(-c3ccc(Br)s3)o2)ccc1[N+](=O)[O-] ZINC000007549543 817866874 /nfs/dbraw/zinc/86/68/74/817866874.db2.gz SXCOSPGKWPUEPB-UHFFFAOYSA-N 0 0 396.222 4.356 20 5 GIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007565884 817871197 /nfs/dbraw/zinc/87/11/97/817871197.db2.gz BQBDICFDWLSNDS-VIFPVBQESA-N 0 0 391.742 4.355 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000007596565 817875679 /nfs/dbraw/zinc/87/56/79/817875679.db2.gz BBAOESJHAJSFDA-UHFFFAOYSA-N 0 0 398.806 4.103 20 5 GIBDRN O=C(Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000007597768 817876336 /nfs/dbraw/zinc/87/63/36/817876336.db2.gz NMMPBWSPMSBCQR-UHFFFAOYSA-N 0 0 391.383 4.188 20 5 GIBDRN C[C@H](OC(=O)c1cccc2ccccc21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000007604096 817877675 /nfs/dbraw/zinc/87/76/75/817877675.db2.gz KYGCRCHGQGMFLL-LBPRGKRZSA-N 0 0 382.347 4.071 20 5 GIBDRN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007726114 817904118 /nfs/dbraw/zinc/90/41/18/817904118.db2.gz FJFQZFVOGHZICI-UHFFFAOYSA-N 0 0 389.795 4.075 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cccc2cccnc21 ZINC000057469055 823300729 /nfs/dbraw/zinc/30/07/29/823300729.db2.gz XPBOYJJWFLUOBZ-GFCCVEGCSA-N 0 0 383.429 4.271 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc([N+](=O)[O-])c1 ZINC000122072987 823302181 /nfs/dbraw/zinc/30/21/81/823302181.db2.gz NQCJUPOMZDVHLZ-UHFFFAOYSA-N 0 0 397.818 4.019 20 5 GIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000007853231 817939147 /nfs/dbraw/zinc/93/91/47/817939147.db2.gz LQSJDJGFOGHMMP-ZDUSSCGKSA-N 0 0 388.445 4.118 20 5 GIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007889413 817952854 /nfs/dbraw/zinc/95/28/54/817952854.db2.gz YYOUVHIYZUWBAD-FQEVSTJZSA-N 0 0 375.384 4.375 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCCCC1 ZINC000007951515 817967601 /nfs/dbraw/zinc/96/76/01/817967601.db2.gz HLKQCENMOAFJMW-UHFFFAOYSA-N 0 0 389.839 4.256 20 5 GIBDRN CC(=O)c1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000007983670 817975775 /nfs/dbraw/zinc/97/57/75/817975775.db2.gz VKFCVTPGGSXBIX-UHFFFAOYSA-N 0 0 383.141 4.194 20 5 GIBDRN CNc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000008020256 817984825 /nfs/dbraw/zinc/98/48/25/817984825.db2.gz FCYCVCLTOFNKIX-AWEZNQCLSA-N 0 0 396.472 4.266 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000409773826 823304239 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GIBDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000011013502 818043932 /nfs/dbraw/zinc/04/39/32/818043932.db2.gz RSPYTUAULNBJJW-CYBMUJFWSA-N 0 0 393.846 4.039 20 5 GIBDRN Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000011025255 818045151 /nfs/dbraw/zinc/04/51/51/818045151.db2.gz HYLAOYPXGNIIJY-UHFFFAOYSA-N 0 0 397.214 4.314 20 5 GIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000011025719 818045175 /nfs/dbraw/zinc/04/51/75/818045175.db2.gz ZKMVYEUDBIXZGV-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1 ZINC000188797325 823307909 /nfs/dbraw/zinc/30/79/09/823307909.db2.gz GYYFITLIDMNFDX-UHFFFAOYSA-N 0 0 399.472 4.017 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(F)cc1F ZINC000011182959 818059576 /nfs/dbraw/zinc/05/95/76/818059576.db2.gz WUEZXZKKRHIXIX-UHFFFAOYSA-N 0 0 382.322 4.356 20 5 GIBDRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000188809222 823310270 /nfs/dbraw/zinc/31/02/70/823310270.db2.gz IXFBHBRLWXARKM-CYBMUJFWSA-N 0 0 390.823 4.224 20 5 GIBDRN COc1ccc(NC(=O)CNc2ccccc2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000011623341 818101115 /nfs/dbraw/zinc/10/11/15/818101115.db2.gz GTAZPUOZDSFRBB-UHFFFAOYSA-N 0 0 391.427 4.245 20 5 GIBDRN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)NC1CC1 ZINC000011725332 818114537 /nfs/dbraw/zinc/11/45/37/818114537.db2.gz APTOCHRBOALXOE-UHFFFAOYSA-N 0 0 394.353 4.048 20 5 GIBDRN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)OC(C)C ZINC000188823855 823313540 /nfs/dbraw/zinc/31/35/40/823313540.db2.gz HRXVQCWARDAHMV-IBGZPJMESA-N 0 0 387.436 4.200 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(SC)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000011917048 818128542 /nfs/dbraw/zinc/12/85/42/818128542.db2.gz VKHCVESTZCSPBF-UHFFFAOYSA-N 0 0 384.360 4.179 20 5 GIBDRN CCn1c(-c2ccccc2OC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460202160 823315527 /nfs/dbraw/zinc/31/55/27/823315527.db2.gz DQASMTNDWHRYEI-UHFFFAOYSA-N 0 0 393.447 4.051 20 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GIBDRN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000409838558 823321707 /nfs/dbraw/zinc/32/17/07/823321707.db2.gz YLEXBSRTOZGBRR-KGLIPLIRSA-N 0 0 395.242 4.330 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000014375904 818239965 /nfs/dbraw/zinc/23/99/65/818239965.db2.gz AJWXIGASLPJAKU-INIZCTEOSA-N 0 0 390.823 4.061 20 5 GIBDRN CCOc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000014376424 818239991 /nfs/dbraw/zinc/23/99/91/818239991.db2.gz JHGKCIOMMUUFLY-UHFFFAOYSA-N 0 0 399.428 4.135 20 5 GIBDRN CCO[C@@H](C)c1nc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000409846184 823324001 /nfs/dbraw/zinc/32/40/01/823324001.db2.gz YELGNGXNVPYKDS-LBPRGKRZSA-N 0 0 395.506 4.411 20 5 GIBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000122239736 823326413 /nfs/dbraw/zinc/32/64/13/823326413.db2.gz ZBPWNLGIQDVPKH-UHFFFAOYSA-N 0 0 380.400 4.432 20 5 GIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1F ZINC000014808762 818268826 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4.053 20 5 GIBDRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176944169 823331083 /nfs/dbraw/zinc/33/10/83/823331083.db2.gz OWTNKAWFGJHILA-YCRPNKLZSA-N 0 0 396.443 4.043 20 5 GIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000015827488 818373715 /nfs/dbraw/zinc/37/37/15/818373715.db2.gz HGOQWABNBLTFTH-INIZCTEOSA-N 0 0 390.823 4.243 20 5 GIBDRN CCNc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000015829186 818374316 /nfs/dbraw/zinc/37/43/16/818374316.db2.gz QKXPQTHJCKOBEJ-SFHVURJKSA-N 0 0 399.447 4.021 20 5 GIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC000015961250 818379916 /nfs/dbraw/zinc/37/99/16/818379916.db2.gz VJODIWQOZWJKAN-UHFFFAOYSA-N 0 0 388.342 4.161 20 5 GIBDRN COc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000188953373 823333124 /nfs/dbraw/zinc/33/31/24/823333124.db2.gz UMXIHQSSGNGGDH-LLVKDONJSA-N 0 0 380.347 4.004 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cnc4ccccc4c3OC)no2)c1 ZINC000572405052 823333790 /nfs/dbraw/zinc/33/37/90/823333790.db2.gz JOHQVKLXCTWGAJ-UHFFFAOYSA-N 0 0 392.371 4.267 20 5 GIBDRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000188956648 823333876 /nfs/dbraw/zinc/33/38/76/823333876.db2.gz LQTBHEFEQYHXEW-MRXNPFEDSA-N 0 0 394.431 4.187 20 5 GIBDRN CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000572406816 823333906 /nfs/dbraw/zinc/33/39/06/823333906.db2.gz QRTQCXQQKAAROS-FMQWLBJXSA-N 0 0 378.388 4.029 20 5 GIBDRN CCNc1ccc(C(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cc1[N+](=O)[O-] ZINC000016141392 818396969 /nfs/dbraw/zinc/39/69/69/818396969.db2.gz IHNPYAQGOSWLKU-IBGZPJMESA-N 0 0 383.448 4.403 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000016195818 818404696 /nfs/dbraw/zinc/40/46/96/818404696.db2.gz LFKCPMQPJLGGQB-UHFFFAOYSA-N 0 0 394.836 4.074 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000016196559 818404907 /nfs/dbraw/zinc/40/49/07/818404907.db2.gz BOZVETDMJFRWNL-UHFFFAOYSA-N 0 0 399.424 4.397 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000057808261 823335046 /nfs/dbraw/zinc/33/50/46/823335046.db2.gz RFDHWKSMBSGASI-IBGZPJMESA-N 0 0 379.441 4.231 20 5 GIBDRN CC[C@@H](C)N(Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821323 823337530 /nfs/dbraw/zinc/33/75/30/823337530.db2.gz KHSSOWOGLGHXMP-QGZVFWFLSA-N 0 0 392.459 4.077 20 5 GIBDRN Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000016312682 818421323 /nfs/dbraw/zinc/42/13/23/818421323.db2.gz FIGVCRVWNNIXHI-UHFFFAOYSA-N 0 0 382.247 4.281 20 5 GIBDRN CCCCn1ncc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C ZINC000122323689 823338281 /nfs/dbraw/zinc/33/82/81/823338281.db2.gz ZCVBTLYEJUPODA-UHFFFAOYSA-N 0 0 388.471 4.098 20 5 GIBDRN O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000016700256 818465051 /nfs/dbraw/zinc/46/50/51/818465051.db2.gz XDSYQAUCJCAGSQ-UHFFFAOYSA-N 0 0 390.321 4.111 20 5 GIBDRN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CCC2 ZINC000572436679 823339151 /nfs/dbraw/zinc/33/91/51/823339151.db2.gz BVGGUDKZQNSLQY-FQEVSTJZSA-N 0 0 393.487 4.313 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000176973910 823339523 /nfs/dbraw/zinc/33/95/23/823339523.db2.gz KSCVDZXQTAOCHO-CQSZACIVSA-N 0 0 379.420 4.186 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000122341835 823341047 /nfs/dbraw/zinc/34/10/47/823341047.db2.gz ZLOCVFFTBYYZMO-GFCCVEGCSA-N 0 0 399.394 4.200 20 5 GIBDRN O=[N+]([O-])c1ccc2oc(CN3CCC(c4nc5ccccc5o4)CC3)nc2c1 ZINC000176986165 823342843 /nfs/dbraw/zinc/34/28/43/823342843.db2.gz LWHFIQGLDHIPQR-UHFFFAOYSA-N 0 0 378.388 4.257 20 5 GIBDRN O=C(NCCCSc1ccc(F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000018022300 818539775 /nfs/dbraw/zinc/53/97/75/818539775.db2.gz XIXNBLAAIOIUOY-UHFFFAOYSA-N 0 0 389.452 4.220 20 5 GIBDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018091715 818545423 /nfs/dbraw/zinc/54/54/23/818545423.db2.gz DLOSRLCBMUNAAY-UHFFFAOYSA-N 0 0 378.432 4.389 20 5 GIBDRN O=[N+]([O-])c1ccccc1NCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC000018162168 818552472 /nfs/dbraw/zinc/55/24/72/818552472.db2.gz DITDUVRMLKUIND-UHFFFAOYSA-N 0 0 385.276 4.300 20 5 GIBDRN O=[N+]([O-])c1ccc(NCCNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000018166323 818553493 /nfs/dbraw/zinc/55/34/93/818553493.db2.gz GYPLAJYEEZZTDY-UHFFFAOYSA-N 0 0 385.276 4.300 20 5 GIBDRN CSc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000018202505 818556340 /nfs/dbraw/zinc/55/63/40/818556340.db2.gz SMEFRLVEGBPHEQ-UHFFFAOYSA-N 0 0 396.472 4.049 20 5 GIBDRN COC(=O)COc1ccc(NCc2cc(F)ccc2[N+](=O)[O-])c2ccccc12 ZINC000176997274 823345750 /nfs/dbraw/zinc/34/57/50/823345750.db2.gz YQUZQRMAYPPHHH-UHFFFAOYSA-N 0 0 384.363 4.051 20 5 GIBDRN Cc1ccc(OCc2nc(CC(=O)Oc3ccc(C)cc3[N+](=O)[O-])cs2)cc1 ZINC000018231902 818558972 /nfs/dbraw/zinc/55/89/72/818558972.db2.gz MTNVUSFNXRMTDW-UHFFFAOYSA-N 0 0 398.440 4.395 20 5 GIBDRN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000018456649 818568939 /nfs/dbraw/zinc/56/89/39/818568939.db2.gz QWMLFYOEOLSEND-LBPRGKRZSA-N 0 0 388.395 4.215 20 5 GIBDRN COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000019160121 818585828 /nfs/dbraw/zinc/58/58/28/818585828.db2.gz RIGGZMYCXQWALO-UHFFFAOYSA-N 0 0 392.411 4.212 20 5 GIBDRN CSc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000019679578 818598310 /nfs/dbraw/zinc/59/83/10/818598310.db2.gz LPIMOPSHIUDUBA-UHFFFAOYSA-N 0 0 396.472 4.431 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC000460311127 823348742 /nfs/dbraw/zinc/34/87/42/823348742.db2.gz AKAVYRPOMFHYHZ-LJQANCHMSA-N 0 0 393.447 4.223 20 5 GIBDRN CO[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460319536 823351934 /nfs/dbraw/zinc/35/19/34/823351934.db2.gz VHSMRKJUQYKSEU-INIZCTEOSA-N 0 0 380.853 4.088 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000021125813 818656268 /nfs/dbraw/zinc/65/62/68/818656268.db2.gz RWJDZAIWQNCMIL-UHFFFAOYSA-N 0 0 397.412 4.170 20 5 GIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000057949450 823350239 /nfs/dbraw/zinc/35/02/39/823350239.db2.gz IWUVOJUNPHBXSI-FQEVSTJZSA-N 0 0 375.384 4.375 20 5 GIBDRN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n(CC(C)C)c1C ZINC000021432453 818686248 /nfs/dbraw/zinc/68/62/48/818686248.db2.gz HXNYWTGPJREAGZ-UHFFFAOYSA-N 0 0 396.900 4.448 20 5 GIBDRN Cc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n(CC(C)C)c1C ZINC000021432458 818686324 /nfs/dbraw/zinc/68/63/24/818686324.db2.gz ZMWYXAMAGAPVAI-AWEZNQCLSA-N 0 0 376.482 4.183 20 5 GIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000177036702 823355827 /nfs/dbraw/zinc/35/58/27/823355827.db2.gz DICIHCWDXRKTNA-CQSZACIVSA-N 0 0 376.416 4.038 20 5 GIBDRN CCCCNC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767946 818735803 /nfs/dbraw/zinc/73/58/03/818735803.db2.gz JKQSHAQSBYDQCR-CQSZACIVSA-N 0 0 378.501 4.433 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NCCc3ccccn3)cc2[N+](=O)[O-])cc1 ZINC000021772939 818736765 /nfs/dbraw/zinc/73/67/65/818736765.db2.gz VANPXGUMPDISQX-UHFFFAOYSA-N 0 0 393.468 4.422 20 5 GIBDRN CCOc1cc(CN(C)Cc2ccc(OC(F)F)c(OC)c2)ccc1[N+](=O)[O-] ZINC000572552000 823359384 /nfs/dbraw/zinc/35/93/84/823359384.db2.gz AVDFYPNCPZUQLK-UHFFFAOYSA-N 0 0 396.390 4.236 20 5 GIBDRN Cc1c(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000409976861 823360143 /nfs/dbraw/zinc/36/01/43/823360143.db2.gz CZKODJWZBHAOSD-HNNXBMFYSA-N 0 0 379.416 4.450 20 5 GIBDRN O=C(CSc1nc2ccc(Cl)cc2o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000021956140 818759122 /nfs/dbraw/zinc/75/91/22/818759122.db2.gz JNFMFTMNMKAHNS-UHFFFAOYSA-N 0 0 389.820 4.071 20 5 GIBDRN O=C(c1ccc(-n2cccc2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460350105 823360936 /nfs/dbraw/zinc/36/09/36/823360936.db2.gz UPNORTQYCHTOKO-FQEVSTJZSA-N 0 0 379.441 4.273 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000177061763 823362120 /nfs/dbraw/zinc/36/21/20/823362120.db2.gz ZLEFFEVGVRCSTB-INIZCTEOSA-N 0 0 395.337 4.219 20 5 GIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000022052517 818767263 /nfs/dbraw/zinc/76/72/63/818767263.db2.gz KYUUYPBAHDMQAU-UHFFFAOYSA-N 0 0 392.371 4.496 20 5 GIBDRN C[C@@H](SCc1ccccc1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355147 823362454 /nfs/dbraw/zinc/36/24/54/823362454.db2.gz VXKVPRIICKHSKM-AUUYWEPGSA-N 0 0 388.514 4.491 20 5 GIBDRN C[C@H](SCc1ccccc1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355151 823362500 /nfs/dbraw/zinc/36/25/00/823362500.db2.gz VXKVPRIICKHSKM-LIRRHRJNSA-N 0 0 388.514 4.491 20 5 GIBDRN O=C([C@@H]1CCN(c2ccccc2Cl)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000572568552 823362864 /nfs/dbraw/zinc/36/28/64/823362864.db2.gz YXSSTNQBFDLLLR-MRXNPFEDSA-N 0 0 399.878 4.266 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000022198346 818782146 /nfs/dbraw/zinc/78/21/46/818782146.db2.gz UUXNWCRESHYKHX-UHFFFAOYSA-N 0 0 394.374 4.256 20 5 GIBDRN O=C(CCCOc1ccccc1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359791 823363543 /nfs/dbraw/zinc/36/35/43/823363543.db2.gz BWXCAXSUBIDASJ-LJQANCHMSA-N 0 0 390.436 4.167 20 5 GIBDRN CC(C)Oc1ccc([C@H](C)NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000122502139 823364135 /nfs/dbraw/zinc/36/41/35/823364135.db2.gz MSEBHFXBHWKLLQ-HNNXBMFYSA-N 0 0 383.448 4.211 20 5 GIBDRN Cc1ccc(NCCCNC(=O)[C@H]2CCSc3ccccc32)c([N+](=O)[O-])c1 ZINC000460365153 823364654 /nfs/dbraw/zinc/36/46/54/823364654.db2.gz VNYWJMTXZOKFIC-INIZCTEOSA-N 0 0 385.489 4.101 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000022550781 818824187 /nfs/dbraw/zinc/82/41/87/818824187.db2.gz DGMLFPQMBPHCHJ-ZQNFCJTASA-N 0 0 388.807 4.140 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000022596337 818831366 /nfs/dbraw/zinc/83/13/66/818831366.db2.gz OEMLISNDXNKZCM-CQSZACIVSA-N 0 0 378.384 4.240 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000022670175 818839484 /nfs/dbraw/zinc/83/94/84/818839484.db2.gz UTLFQKMKAJFYGD-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000022793115 818861275 /nfs/dbraw/zinc/86/12/75/818861275.db2.gz ZRZFIFPIOJZUOK-SNVBAGLBSA-N 0 0 397.214 4.394 20 5 GIBDRN COC(=O)c1sc2nc(C)nc(Oc3ccc(Cl)cc3[N+](=O)[O-])c2c1C ZINC000022804935 818863195 /nfs/dbraw/zinc/86/31/95/818863195.db2.gz XJKSTGYQUDJROS-UHFFFAOYSA-N 0 0 393.808 4.449 20 5 GIBDRN CCc1cc(NC(=O)c2oc(CC(C)C)nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000189178583 823370939 /nfs/dbraw/zinc/37/09/39/823370939.db2.gz GAMNGQOWZNHDKA-UHFFFAOYSA-N 0 0 382.420 4.453 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000023121608 818901095 /nfs/dbraw/zinc/90/10/95/818901095.db2.gz WELDFTFZTGEUKS-UHFFFAOYSA-N 0 0 396.403 4.026 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(Br)cc1 ZINC000023227074 818913325 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0 0 382.388 4.409 20 5 GIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000025390295 819975161 /nfs/dbraw/zinc/97/51/61/819975161.db2.gz IMYGVHJVVSSNQJ-UHFFFAOYSA-N 0 0 391.355 4.014 20 5 GIBDRN CSc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000410269485 823442616 /nfs/dbraw/zinc/44/26/16/823442616.db2.gz CDJXZRSUWSELER-SNVBAGLBSA-N 0 0 382.388 4.409 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1nc2ccccc2n1C(F)F ZINC000025432742 819979183 /nfs/dbraw/zinc/97/91/83/819979183.db2.gz AQMBQDRNLMKPIA-UHFFFAOYSA-N 0 0 393.371 4.175 20 5 GIBDRN CSc1ccc(C(=O)NCc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000025470769 819987264 /nfs/dbraw/zinc/98/72/64/819987264.db2.gz PCGQEOYMZPHJEP-UHFFFAOYSA-N 0 0 387.280 4.071 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cl)s1 ZINC000025525895 819996206 /nfs/dbraw/zinc/99/62/06/819996206.db2.gz BAYQAVJLVIMTGL-UHFFFAOYSA-N 0 0 382.872 4.186 20 5 GIBDRN Cn1ncc2c1CCC[C@@H]2Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000025567298 820003854 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GIBDRN COc1ccc(Br)cc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000026121219 820061542 /nfs/dbraw/zinc/06/15/42/820061542.db2.gz YXZAOIBPMZYBMB-UHFFFAOYSA-N 0 0 380.194 4.031 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026335776 820085475 /nfs/dbraw/zinc/08/54/75/820085475.db2.gz AFVVFVLCHPEVPP-CYBMUJFWSA-N 0 0 395.381 4.381 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347229 820086787 /nfs/dbraw/zinc/08/67/87/820086787.db2.gz MFVNMFRZPUZEHM-LBPRGKRZSA-N 0 0 381.354 4.073 20 5 GIBDRN C[C@H](NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000026347265 820086861 /nfs/dbraw/zinc/08/68/61/820086861.db2.gz YJAWVSHSSPACJT-LBPRGKRZSA-N 0 0 396.274 4.211 20 5 GIBDRN COc1ccc(-c2nc(CN(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000026347511 820087266 /nfs/dbraw/zinc/08/72/66/820087266.db2.gz KLFISQPBWADEOQ-UHFFFAOYSA-N 0 0 399.472 4.368 20 5 GIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026349726 820087547 /nfs/dbraw/zinc/08/75/47/820087547.db2.gz LYTSQXBEESTCEE-CYBMUJFWSA-N 0 0 395.415 4.003 20 5 GIBDRN O=C(CCSc1nc2ccccc2n1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000026417267 820095090 /nfs/dbraw/zinc/09/50/90/820095090.db2.gz NBADDQGLRZCGJH-UHFFFAOYSA-N 0 0 392.387 4.461 20 5 GIBDRN Cc1cccc(-c2nnc([C@H](C)OC(=O)CSc3ccccc3[N+](=O)[O-])o2)c1 ZINC000026565687 820114546 /nfs/dbraw/zinc/11/45/46/820114546.db2.gz RJMPOEKJPIAVDR-ZDUSSCGKSA-N 0 0 399.428 4.350 20 5 GIBDRN O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000026708874 820135618 /nfs/dbraw/zinc/13/56/18/820135618.db2.gz WXOZEDACKXRMNB-UHFFFAOYSA-N 0 0 380.473 4.041 20 5 GIBDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000026793481 820145919 /nfs/dbraw/zinc/14/59/19/820145919.db2.gz SFFIXIUCJYRHJO-UHFFFAOYSA-N 0 0 378.432 4.389 20 5 GIBDRN O=C(OCCCc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1Cl ZINC000026846757 820152824 /nfs/dbraw/zinc/15/28/24/820152824.db2.gz AIWLQQPHLDOWJA-UHFFFAOYSA-N 0 0 387.779 4.088 20 5 GIBDRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)ccn1 ZINC000026846218 820152828 /nfs/dbraw/zinc/15/28/28/820152828.db2.gz KTFJMAREIPFACM-UHFFFAOYSA-N 0 0 395.440 4.080 20 5 GIBDRN Cc1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cs1 ZINC000026864342 820155181 /nfs/dbraw/zinc/15/51/81/820155181.db2.gz ZVDUPSVBSSARIQ-UHFFFAOYSA-N 0 0 399.497 4.483 20 5 GIBDRN Cc1cc(-n2cccn2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000189617855 823459617 /nfs/dbraw/zinc/45/96/17/823459617.db2.gz KBBZEJRHGFSLCO-CQSZACIVSA-N 0 0 382.445 4.208 20 5 GIBDRN CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000026961982 820169677 /nfs/dbraw/zinc/16/96/77/820169677.db2.gz KLEVJPJZFUICMI-UHFFFAOYSA-N 0 0 392.234 4.244 20 5 GIBDRN C[C@H](Nc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000026997952 820176935 /nfs/dbraw/zinc/17/69/35/820176935.db2.gz CZWPIFSUOOGSPA-QMMMGPOBSA-N 0 0 389.280 4.331 20 5 GIBDRN CSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000027162188 820203419 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GIBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccc(C)cn3)cc2[N+](=O)[O-])n1 ZINC000027640762 820269976 /nfs/dbraw/zinc/26/99/76/820269976.db2.gz NMSITZRQNZCZHW-UHFFFAOYSA-N 0 0 386.458 4.467 20 5 GIBDRN CCC(CC)N(CCOC)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000410354154 823471312 /nfs/dbraw/zinc/47/13/12/823471312.db2.gz OOBAYTDJJPLWNV-INIZCTEOSA-N 0 0 391.512 4.108 20 5 GIBDRN CCN(CC)C(=O)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000058928059 823471407 /nfs/dbraw/zinc/47/14/07/823471407.db2.gz NIQGEINOXFODSG-UHFFFAOYSA-N 0 0 389.499 4.109 20 5 GIBDRN CCNc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000028189902 820317050 /nfs/dbraw/zinc/31/70/50/820317050.db2.gz DBQHALSRUKGIRQ-LBPRGKRZSA-N 0 0 397.460 4.089 20 5 GIBDRN Cn1ccc2c(NC(=O)c3cc4ccccc4c4cccnc34)cccc2c1=O ZINC000410347668 823469682 /nfs/dbraw/zinc/46/96/82/823469682.db2.gz OYDQRJQFSZOHII-UHFFFAOYSA-N 0 0 379.419 4.492 20 5 GIBDRN CCCC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028293410 820323175 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GIBDRN COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000029396493 820449735 /nfs/dbraw/zinc/44/97/35/820449735.db2.gz BOPZBJVVBLHSRW-GFCCVEGCSA-N 0 0 377.828 4.313 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1ccccc1OC(F)F ZINC000189717968 823481149 /nfs/dbraw/zinc/48/11/49/823481149.db2.gz OLMFKJUPKVBRIG-UHFFFAOYSA-N 0 0 379.363 4.177 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N(CC(F)(F)F)C1CCCC1 ZINC000177530362 823483769 /nfs/dbraw/zinc/48/37/69/823483769.db2.gz IZPQRLKAUZSSOD-UHFFFAOYSA-N 0 0 395.175 4.304 20 5 GIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029712163 820503850 /nfs/dbraw/zinc/50/38/50/820503850.db2.gz IPDAWZGJOVRDAB-OAQYLSRUSA-N 0 0 388.427 4.084 20 5 GIBDRN CNc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc1[N+](=O)[O-] ZINC000573406951 823489515 /nfs/dbraw/zinc/48/95/15/823489515.db2.gz LJGQQLHVFFCERM-HNNXBMFYSA-N 0 0 381.354 4.368 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000573372033 823486164 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0 398.337 4.122 20 5 GIBDRN O=C(NCc1cc(F)cc(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030164295 820581766 /nfs/dbraw/zinc/58/17/66/820581766.db2.gz NICAZMSQZGMMMF-UHFFFAOYSA-N 0 0 397.381 4.415 20 5 GIBDRN COc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000030304495 820598085 /nfs/dbraw/zinc/59/80/85/820598085.db2.gz FWWAXBBVBWTZDT-UHFFFAOYSA-N 0 0 395.440 4.080 20 5 GIBDRN CC(C)COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl ZINC000030512215 820628790 /nfs/dbraw/zinc/62/87/90/820628790.db2.gz PCGWLAPQLLQNAN-UHFFFAOYSA-N 0 0 392.795 4.264 20 5 GIBDRN CCc1ccc(CN(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000030551332 820639119 /nfs/dbraw/zinc/63/91/19/820639119.db2.gz HOZBWKLWKZDTNG-UHFFFAOYSA-N 0 0 394.374 4.039 20 5 GIBDRN Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000410423225 823492957 /nfs/dbraw/zinc/49/29/57/823492957.db2.gz XQVNYYIUPWTXFB-UHFFFAOYSA-N 0 0 379.196 4.150 20 5 GIBDRN COc1ccccc1C(C)(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410446948 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387.383 4.352 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000031095493 820739671 /nfs/dbraw/zinc/73/96/71/820739671.db2.gz FSGCTEJYVNIDDT-SNVBAGLBSA-N 0 0 394.225 4.249 20 5 GIBDRN Cc1ccc(-n2cccn2)cc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189843994 823504941 /nfs/dbraw/zinc/50/49/41/823504941.db2.gz VRVHBOXWZLTEFG-AWEZNQCLSA-N 0 0 390.403 4.312 20 5 GIBDRN COc1ccc(SC)c(OC)c1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000460763352 823506230 /nfs/dbraw/zinc/50/62/30/823506230.db2.gz PEXHHQCSPOCOHM-UHFFFAOYSA-N 0 0 376.434 4.203 20 5 GIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000123395474 823505270 /nfs/dbraw/zinc/50/52/70/823505270.db2.gz SPYZTSFEUXDIFM-JTQLQIEISA-N 0 0 379.848 4.391 20 5 GIBDRN CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(C)cs1 ZINC000410516924 823500876 /nfs/dbraw/zinc/50/08/76/823500876.db2.gz GGOPFPXOCJGUHD-HNNXBMFYSA-N 0 0 387.383 4.434 20 5 GIBDRN COc1cc(C(=O)N2C[C@@H](C)CSc3ccccc32)c([N+](=O)[O-])cc1F 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O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2oc(C(F)(F)F)nc21 ZINC000123438865 823509248 /nfs/dbraw/zinc/50/92/48/823509248.db2.gz FNSMMZYKAYMOIP-UHFFFAOYSA-N 0 0 395.293 4.162 20 5 GIBDRN Cc1c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] ZINC000031702159 820848321 /nfs/dbraw/zinc/84/83/21/820848321.db2.gz BYDHBDCFUSGFBJ-UHFFFAOYSA-N 0 0 384.367 4.054 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000031822443 820865614 /nfs/dbraw/zinc/86/56/14/820865614.db2.gz YEDISFNZOQNHPT-UHFFFAOYSA-N 0 0 376.463 4.099 20 5 GIBDRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000031895329 820871373 /nfs/dbraw/zinc/87/13/73/820871373.db2.gz VYRNXGZVOOSXSB-ZDUSSCGKSA-N 0 0 397.859 4.016 20 5 GIBDRN Cc1cccc(-c2nc(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)c1 ZINC000031930599 820876650 /nfs/dbraw/zinc/87/66/50/820876650.db2.gz LRMSBNPXLOHJGC-UHFFFAOYSA-N 0 0 381.457 4.228 20 5 GIBDRN COc1c(C)ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000031969541 820882355 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ZINC000177835709 823533730 /nfs/dbraw/zinc/53/37/30/823533730.db2.gz PWNLUNGDXWAGQL-SECBINFHSA-N 0 0 398.644 4.205 20 5 GIBDRN COc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000177835461 823533753 /nfs/dbraw/zinc/53/37/53/823533753.db2.gz CECJORUCOSWEQW-LLVKDONJSA-N 0 0 380.347 4.004 20 5 GIBDRN CC(=O)CCc1ccc(OCCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000177842003 823534913 /nfs/dbraw/zinc/53/49/13/823534913.db2.gz ZYJUBJPXAJVFBQ-QGZVFWFLSA-N 0 0 398.459 4.071 20 5 GIBDRN COc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000411038274 823536291 /nfs/dbraw/zinc/53/62/91/823536291.db2.gz UQAUFHJEUUHHHB-KRWDZBQOSA-N 0 0 396.777 4.416 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000177853436 823536620 /nfs/dbraw/zinc/53/66/20/823536620.db2.gz AWSYIEARVFOYGO-BLLLJJGKSA-N 0 0 388.493 4.394 20 5 GIBDRN COc1ccc(C(=O)Nc2cccc(Cl)c2Br)cc1[N+](=O)[O-] ZINC000190095034 823536861 /nfs/dbraw/zinc/53/68/61/823536861.db2.gz 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COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000043147995 821368427 /nfs/dbraw/zinc/36/84/27/821368427.db2.gz WJPYWMXEZUMTJZ-INIZCTEOSA-N 0 0 385.420 4.289 20 5 GIBDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000180651811 821383305 /nfs/dbraw/zinc/38/33/05/821383305.db2.gz JZSIONADWGALDZ-UHFFFAOYSA-N 0 0 397.431 4.074 20 5 GIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000043331322 821393918 /nfs/dbraw/zinc/39/39/18/821393918.db2.gz CKORBGOEERAJPM-SNVBAGLBSA-N 0 0 376.800 4.089 20 5 GIBDRN CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342197 821395458 /nfs/dbraw/zinc/39/54/58/821395458.db2.gz INUVTKNQKFDNLC-UHFFFAOYSA-N 0 0 388.605 4.268 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000043347711 821395763 /nfs/dbraw/zinc/39/57/63/821395763.db2.gz LXBQBHFNOQNOMB-GOSISDBHSA-N 0 0 385.420 4.289 20 5 GIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000180704556 821406625 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O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1csc([N+](=O)[O-])c1 ZINC000044492190 821594373 /nfs/dbraw/zinc/59/43/73/821594373.db2.gz KPWBLPHSSDQUKO-UHFFFAOYSA-N 0 0 382.323 4.113 20 5 GIBDRN Cc1occc1C(=O)Nc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000044532181 821600245 /nfs/dbraw/zinc/60/02/45/821600245.db2.gz QGYFWSZGOOQGNO-UHFFFAOYSA-N 0 0 389.364 4.201 20 5 GIBDRN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000044538363 821601904 /nfs/dbraw/zinc/60/19/04/821601904.db2.gz RMIOSDDZMHFAGL-UHFFFAOYSA-N 0 0 394.309 4.261 20 5 GIBDRN COC(=O)COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000044545056 821605515 /nfs/dbraw/zinc/60/55/15/821605515.db2.gz RPVNVKBDWKOBDL-UHFFFAOYSA-N 0 0 386.407 4.192 20 5 GIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000044551274 821607181 /nfs/dbraw/zinc/60/71/81/821607181.db2.gz NUFNZYJXGHQPNP-CYBMUJFWSA-N 0 0 399.472 4.371 20 5 GIBDRN Cc1cccc(COc2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)c1 ZINC000181070191 821617778 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383.448 4.063 20 5 GIBDRN O=[N+]([O-])c1cccc([C@H](Nc2cnn(Cc3ccccn3)c2)c2ccccc2)c1 ZINC000181167672 821675678 /nfs/dbraw/zinc/67/56/78/821675678.db2.gz DPYICYVJUFUPJE-JOCHJYFZSA-N 0 0 385.427 4.436 20 5 GIBDRN Cc1c([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000181235055 821711844 /nfs/dbraw/zinc/71/18/44/821711844.db2.gz FYQUEYXGRYDTGJ-UONOGXRCSA-N 0 0 383.427 4.343 20 5 GIBDRN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000181296638 821741431 /nfs/dbraw/zinc/74/14/31/821741431.db2.gz UJNQPAHEBVAGPK-MNOVXSKESA-N 0 0 381.354 4.118 20 5 GIBDRN O=C(Nc1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181422214 821818478 /nfs/dbraw/zinc/81/84/78/821818478.db2.gz QXRDANAQFRRGEH-UHFFFAOYSA-N 0 0 398.372 4.029 20 5 GIBDRN COCc1noc([C@H](C)Sc2nc3ccccc3c3nc4ccccc4n32)n1 ZINC000181487787 821848570 /nfs/dbraw/zinc/84/85/70/821848570.db2.gz DOPVEWGHDNGIQW-LBPRGKRZSA-N 0 0 391.456 4.418 20 5 GIBDRN CCCC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181501672 821856113 /nfs/dbraw/zinc/85/61/13/821856113.db2.gz XAZVJEAXNIOUEA-CQSZACIVSA-N 0 0 398.506 4.412 20 5 GIBDRN CCCc1nnc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)o1 ZINC000181671504 821936462 /nfs/dbraw/zinc/93/64/62/821936462.db2.gz MEDRJXSPOGXELJ-UHFFFAOYSA-N 0 0 398.419 4.130 20 5 GIBDRN NC(=O)c1cccc(Oc2ccc(NCc3ccc([N+](=O)[O-])cc3Cl)cn2)c1 ZINC000181711202 821955045 /nfs/dbraw/zinc/95/50/45/821955045.db2.gz QUBPSSIAJXZNNC-UHFFFAOYSA-N 0 0 398.806 4.147 20 5 GIBDRN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1Cl ZINC000181732294 821966318 /nfs/dbraw/zinc/96/63/18/821966318.db2.gz DVUYNUDCFGLIQV-VIFPVBQESA-N 0 0 386.210 4.330 20 5 GIBDRN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000181784052 821990674 /nfs/dbraw/zinc/99/06/74/821990674.db2.gz RRPLYJKSGTUWHV-GFCCVEGCSA-N 0 0 387.314 4.024 20 5 GIBDRN Cc1ccc([C@H](C)NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000181809713 822001598 /nfs/dbraw/zinc/00/15/98/822001598.db2.gz DWQMVOSOLSUCPV-JTQLQIEISA-N 0 0 392.337 4.221 20 5 GIBDRN COc1cc(CNc2nc(C3CC3)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000181863400 822019983 /nfs/dbraw/zinc/01/99/83/822019983.db2.gz KZMGKFPCVUDGSW-UHFFFAOYSA-N 0 0 396.403 4.055 20 5 GIBDRN Cc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cccc1N(C)C ZINC000181918882 822036734 /nfs/dbraw/zinc/03/67/34/822036734.db2.gz QYFLTDRMWXIAIA-UHFFFAOYSA-N 0 0 377.828 4.030 20 5 GIBDRN CCOCc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000181942820 822041996 /nfs/dbraw/zinc/04/19/96/822041996.db2.gz DJUAYFZYDYEZQY-UHFFFAOYSA-N 0 0 394.880 4.193 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] ZINC000181986359 822054096 /nfs/dbraw/zinc/05/40/96/822054096.db2.gz ZTSYZBRYOIYSTF-UHFFFAOYSA-N 0 0 380.385 4.420 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc(F)c1 ZINC000182090627 822089942 /nfs/dbraw/zinc/08/99/42/822089942.db2.gz WXEGMYUIXKRBJK-UHFFFAOYSA-N 0 0 377.441 4.078 20 5 GIBDRN COc1ccc2ccccc2c1-c1cc(Cn2nc(C)c([N+](=O)[O-])c2C)on1 ZINC000182188158 822138903 /nfs/dbraw/zinc/13/89/03/822138903.db2.gz XIFRLUDVAHTJHB-UHFFFAOYSA-N 0 0 378.388 4.273 20 5 GIBDRN COc1ccc(C2(C(=O)N(C)c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000182190420 822139566 /nfs/dbraw/zinc/13/95/66/822139566.db2.gz NTGJPBGDUPHESJ-UHFFFAOYSA-N 0 0 384.432 4.087 20 5 GIBDRN O=C(c1cccn1C1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182228012 822157024 /nfs/dbraw/zinc/15/70/24/822157024.db2.gz WOSUDLBVTDAJHF-UHFFFAOYSA-N 0 0 383.448 4.195 20 5 GIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000182238758 822162220 /nfs/dbraw/zinc/16/22/20/822162220.db2.gz OXYACXIYLJBWRN-SNVBAGLBSA-N 0 0 384.358 4.021 20 5 GIBDRN CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 ZINC000182369129 822218123 /nfs/dbraw/zinc/21/81/23/822218123.db2.gz ZYRXAPHSIFPHSB-DZGCQCFKSA-N 0 0 375.450 4.252 20 5 GIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182434401 822241622 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GIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182860299 822380747 /nfs/dbraw/zinc/38/07/47/822380747.db2.gz JAARMTKIMAXULC-JTQLQIEISA-N 0 0 393.802 4.478 20 5 GIBDRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178473410 822382723 /nfs/dbraw/zinc/38/27/23/822382723.db2.gz CFSBGJSWWSRYRY-RDTXWAMCSA-N 0 0 399.447 4.038 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000178501635 822385659 /nfs/dbraw/zinc/38/56/59/822385659.db2.gz DAENZQXCHFKBMD-KRWDZBQOSA-N 0 0 375.469 4.007 20 5 GIBDRN COc1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000045413467 822386164 /nfs/dbraw/zinc/38/61/64/822386164.db2.gz GRYDSZAYPSOXTR-UHFFFAOYSA-N 0 0 390.823 4.070 20 5 GIBDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000045457945 822388638 /nfs/dbraw/zinc/38/86/38/822388638.db2.gz UDZUKFKYEQULGH-VIFPVBQESA-N 0 0 399.191 4.469 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)C1CCCC1 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ASVVFXWACUXLDY-UHFFFAOYSA-N 0 0 377.187 4.340 20 5 GIBDRN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183015963 822411657 /nfs/dbraw/zinc/41/16/57/822411657.db2.gz TYLMWBRUNVSGPR-HNNXBMFYSA-N 0 0 379.363 4.205 20 5 GIBDRN Cc1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)no1 ZINC000178833916 822415000 /nfs/dbraw/zinc/41/50/00/822415000.db2.gz ANIFPTKBTNKFCH-UHFFFAOYSA-N 0 0 375.431 4.285 20 5 GIBDRN O=C(NCc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178843902 822415835 /nfs/dbraw/zinc/41/58/35/822415835.db2.gz ISCQXFVRAMRDNG-UHFFFAOYSA-N 0 0 393.365 4.488 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178866127 822417581 /nfs/dbraw/zinc/41/75/81/822417581.db2.gz NRODDMVKBYUYMV-LEWJYISDSA-N 0 0 395.459 4.189 20 5 GIBDRN CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000179021234 822430842 /nfs/dbraw/zinc/43/08/42/822430842.db2.gz PMJZSRHDYOOURA-UHFFFAOYSA-N 0 0 375.356 4.273 20 5 GIBDRN 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ZINC000183466245 822479187 /nfs/dbraw/zinc/47/91/87/822479187.db2.gz RZRYJVBBSGEKNQ-AWEZNQCLSA-N 0 0 386.423 4.252 20 5 GIBDRN O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1[N+](=O)[O-] ZINC000046528832 822481661 /nfs/dbraw/zinc/48/16/61/822481661.db2.gz ZJAXAQPNKZRLFB-UHFFFAOYSA-N 0 0 392.367 4.155 20 5 GIBDRN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000046534107 822483113 /nfs/dbraw/zinc/48/31/13/822483113.db2.gz CZMACGSOSPBGND-UHFFFAOYSA-N 0 0 386.301 4.264 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000183495115 822485653 /nfs/dbraw/zinc/48/56/53/822485653.db2.gz YMSPSVNSIPFZRQ-KGLIPLIRSA-N 0 0 396.896 4.091 20 5 GIBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454506671 822486889 /nfs/dbraw/zinc/48/68/89/822486889.db2.gz ARCQEPUSLRYNCZ-RKDXNWHRSA-N 0 0 397.300 4.391 20 5 GIBDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454506670 822486918 /nfs/dbraw/zinc/48/69/18/822486918.db2.gz ARCQEPUSLRYNCZ-IUCAKERBSA-N 0 0 397.300 4.391 20 5 GIBDRN C[C@H](NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000454509629 822487363 /nfs/dbraw/zinc/48/73/63/822487363.db2.gz WOSAIMDOINFPJY-IFXJQAMLSA-N 0 0 385.420 4.035 20 5 GIBDRN Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000183513985 822488644 /nfs/dbraw/zinc/48/86/44/822488644.db2.gz HXAJOWNEXYRSNE-UHFFFAOYSA-N 0 0 379.420 4.027 20 5 GIBDRN CCCn1ncc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C1CC1 ZINC000454522138 822490778 /nfs/dbraw/zinc/49/07/78/822490778.db2.gz QTWKFZWTZVDOGJ-UHFFFAOYSA-N 0 0 395.366 4.324 20 5 GIBDRN COc1ccc(-c2csc(CNC(=O)Nc3ccncc3[N+](=O)[O-])c2)cc1 ZINC000183556851 822494419 /nfs/dbraw/zinc/49/44/19/822494419.db2.gz PKVAOQKSKMAWFE-UHFFFAOYSA-N 0 0 384.417 4.049 20 5 GIBDRN CN(Cc1c(F)cccc1F)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000454564303 822497481 /nfs/dbraw/zinc/49/74/81/822497481.db2.gz YKOJGNABCAHIDG-UHFFFAOYSA-N 0 0 377.391 4.037 20 5 GIBDRN COCCOc1ccccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454566890 822497885 /nfs/dbraw/zinc/49/78/85/822497885.db2.gz DZBJZLBKRLKVBM-KRWDZBQOSA-N 0 0 399.447 4.032 20 5 GIBDRN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000046647542 822497911 /nfs/dbraw/zinc/49/79/11/822497911.db2.gz XCKDNOJOBFJWPR-OAHLLOKOSA-N 0 0 392.415 4.452 20 5 GIBDRN CCC(=O)Nc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000179546896 822500934 /nfs/dbraw/zinc/50/09/34/822500934.db2.gz FZACFOZABBITKX-UHFFFAOYSA-N 0 0 382.420 4.140 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000454584389 822501236 /nfs/dbraw/zinc/50/12/36/822501236.db2.gz RVYZQLPSCAESMD-MAUKXSAKSA-N 0 0 399.447 4.425 20 5 GIBDRN CCOc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000046688067 822505503 /nfs/dbraw/zinc/50/55/03/822505503.db2.gz GMDBBLYOLOXTDI-UHFFFAOYSA-N 0 0 386.429 4.147 20 5 GIBDRN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179584595 822506988 /nfs/dbraw/zinc/50/69/88/822506988.db2.gz GVIBDBACRBNZGQ-UHFFFAOYSA-N 0 0 391.305 4.336 20 5 GIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCCO1 ZINC000183691943 822512362 /nfs/dbraw/zinc/51/23/62/822512362.db2.gz JYOODUQIELOEJN-AWEZNQCLSA-N 0 0 378.494 4.128 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183701546 822513882 /nfs/dbraw/zinc/51/38/82/822513882.db2.gz OMMYMULKWLVELR-INIZCTEOSA-N 0 0 398.312 4.046 20 5 GIBDRN O=C(OCc1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])cc1Br ZINC000179639968 822517941 /nfs/dbraw/zinc/51/79/41/822517941.db2.gz SSUAPVBMQVKNED-UHFFFAOYSA-N 0 0 383.223 4.048 20 5 GIBDRN O=C(Nc1ccn(Cc2ccccc2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000046795391 822517984 /nfs/dbraw/zinc/51/79/84/822517984.db2.gz OLVBMVNXDPJNBK-UHFFFAOYSA-N 0 0 378.413 4.307 20 5 GIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000183753266 822522470 /nfs/dbraw/zinc/52/24/70/822522470.db2.gz GYXICLYBNHUDBI-YLJYHZDGSA-N 0 0 389.496 4.253 20 5 GIBDRN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000183757087 822523234 /nfs/dbraw/zinc/52/32/34/822523234.db2.gz FHSWGOFFHLTWOP-KRWDZBQOSA-N 0 0 390.443 4.027 20 5 GIBDRN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)c1 ZINC000183764070 822524692 /nfs/dbraw/zinc/52/46/92/822524692.db2.gz JIBWKFOMVHHTPI-INIZCTEOSA-N 0 0 375.428 4.390 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nnc(-c4cccs4)o3)n2)cc1 ZINC000046865025 822525475 /nfs/dbraw/zinc/52/54/75/822525475.db2.gz XSMLYXBNKSCRNO-UHFFFAOYSA-N 0 0 387.402 4.049 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000183823633 822532639 /nfs/dbraw/zinc/53/26/39/822532639.db2.gz LOCWOPZBZHIRHQ-JTQLQIEISA-N 0 0 390.317 4.334 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000183825302 822532899 /nfs/dbraw/zinc/53/28/99/822532899.db2.gz PXAMXIBDZSBZOE-HZPDHXFCSA-N 0 0 378.428 4.270 20 5 GIBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000454787668 822534222 /nfs/dbraw/zinc/53/42/22/822534222.db2.gz CMFLACULBLYZHK-MWLCHTKSSA-N 0 0 379.766 4.121 20 5 GIBDRN CSc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000183852219 822536138 /nfs/dbraw/zinc/53/61/38/822536138.db2.gz OAGXEIPOPBOFFS-UHFFFAOYSA-N 0 0 395.824 4.151 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000179741897 822540484 /nfs/dbraw/zinc/54/04/84/822540484.db2.gz FJCDPUWEVPXGLM-NEPJUHHUSA-N 0 0 377.238 4.338 20 5 GIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179741884 822540543 /nfs/dbraw/zinc/54/05/43/822540543.db2.gz FJCDPUWEVPXGLM-RYUDHWBXSA-N 0 0 377.238 4.338 20 5 GIBDRN Cc1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000179754773 822543888 /nfs/dbraw/zinc/54/38/88/822543888.db2.gz RBTIRHWTLACROW-UHFFFAOYSA-N 0 0 375.428 4.471 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000047174015 822550909 /nfs/dbraw/zinc/55/09/09/822550909.db2.gz GPWSUVNANMKNKR-DJJJIMSYSA-N 0 0 398.488 4.467 20 5 GIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2[N+](=O)[O-])C1 ZINC000047178703 822551458 /nfs/dbraw/zinc/55/14/58/822551458.db2.gz GFVLPRGNVMIGLT-CQSZACIVSA-N 0 0 391.431 4.027 20 5 GIBDRN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792419 822553909 /nfs/dbraw/zinc/55/39/09/822553909.db2.gz CFJRYGYMLFIQFS-MLGOLLRUSA-N 0 0 377.391 4.249 20 5 GIBDRN Cc1csc(C2(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CCCC2)n1 ZINC000183964408 822554804 /nfs/dbraw/zinc/55/48/04/822554804.db2.gz MXVDDPNEVLPPHO-LBPRGKRZSA-N 0 0 377.441 4.188 20 5 GIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047229441 822556317 /nfs/dbraw/zinc/55/63/17/822556317.db2.gz GDWVABSPYWHKJN-UHFFFAOYSA-N 0 0 398.850 4.343 20 5 GIBDRN COc1cc(F)c(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000454937627 822560279 /nfs/dbraw/zinc/56/02/79/822560279.db2.gz FECMTNQABVVIGK-ZDUSSCGKSA-N 0 0 391.374 4.293 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000454940109 822560518 /nfs/dbraw/zinc/56/05/18/822560518.db2.gz VVDZBKTVWUHLDX-LLVKDONJSA-N 0 0 382.338 4.199 20 5 GIBDRN C[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000454942571 822560854 /nfs/dbraw/zinc/56/08/54/822560854.db2.gz NCDQFRVJQVSTNL-LBPRGKRZSA-N 0 0 393.403 4.405 20 5 GIBDRN CCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n(C)n1 ZINC000184012190 822563785 /nfs/dbraw/zinc/56/37/85/822563785.db2.gz MEOSBSXRJCORTP-UHFFFAOYSA-N 0 0 388.493 4.425 20 5 GIBDRN Cc1ccc(-c2nnco2)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047320556 822565023 /nfs/dbraw/zinc/56/50/23/822565023.db2.gz CFNYTYPYGSLXNR-LBPRGKRZSA-N 0 0 384.417 4.073 20 5 GIBDRN COc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000047345573 822569166 /nfs/dbraw/zinc/56/91/66/822569166.db2.gz MIVMIUBRPOOOGU-UHFFFAOYSA-N 0 0 395.390 4.153 20 5 GIBDRN COc1ccc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1[N+](=O)[O-] ZINC000047368808 822571417 /nfs/dbraw/zinc/57/14/17/822571417.db2.gz YIBARBALRLUXOA-UHFFFAOYSA-N 0 0 393.424 4.090 20 5 GIBDRN COc1cccc(F)c1[C@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179913589 822576069 /nfs/dbraw/zinc/57/60/69/822576069.db2.gz ARJGIXHWJQKEKI-NWDGAFQWSA-N 0 0 386.383 4.204 20 5 GIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000047412727 822576997 /nfs/dbraw/zinc/57/69/97/822576997.db2.gz ZHNSISMZYMKKJE-INIZCTEOSA-N 0 0 396.447 4.094 20 5 GIBDRN CC(C)Cn1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000455046076 822579545 /nfs/dbraw/zinc/57/95/45/822579545.db2.gz DZWREEZWTLFMJZ-UHFFFAOYSA-N 0 0 395.410 4.442 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nccs3)c2)cc1OC ZINC000047480748 822582590 /nfs/dbraw/zinc/58/25/90/822582590.db2.gz IASWSKJXKGECKY-UHFFFAOYSA-N 0 0 399.428 4.378 20 5 GIBDRN O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000047515141 822585909 /nfs/dbraw/zinc/58/59/09/822585909.db2.gz NUJMGYUJUVPXBG-GOSISDBHSA-N 0 0 380.375 4.284 20 5 GIBDRN COc1cc(C)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000184153791 822586797 /nfs/dbraw/zinc/58/67/97/822586797.db2.gz FSPRZPVYIAAYGA-UHFFFAOYSA-N 0 0 387.392 4.427 20 5 GIBDRN C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000455090366 822587827 /nfs/dbraw/zinc/58/78/27/822587827.db2.gz GEZDENPSNDNCJE-FTRWYGJKSA-N 0 0 383.448 4.123 20 5 GIBDRN C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000455091023 822587830 /nfs/dbraw/zinc/58/78/30/822587830.db2.gz HTSONOPKMYZTMJ-MGPUTAFESA-N 0 0 382.464 4.269 20 5 GIBDRN COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000455095304 822588227 /nfs/dbraw/zinc/58/82/27/822588227.db2.gz FWMRYNWHFMDPSP-HNNXBMFYSA-N 0 0 377.347 4.251 20 5 GIBDRN COc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000455099374 822588614 /nfs/dbraw/zinc/58/86/14/822588614.db2.gz KFIOMKLPJHNJHQ-INIZCTEOSA-N 0 0 395.419 4.239 20 5 GIBDRN CC(C)CN(Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455098761 822588638 /nfs/dbraw/zinc/58/86/38/822588638.db2.gz LSDCJKKYQHMQER-UHFFFAOYSA-N 0 0 399.373 4.037 20 5 GIBDRN C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000455101107 822589095 /nfs/dbraw/zinc/58/90/95/822589095.db2.gz OAIFEZUYIRNCGY-GFCCVEGCSA-N 0 0 379.819 4.332 20 5 GIBDRN COC(=O)c1cc2cc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000047547591 822589460 /nfs/dbraw/zinc/58/94/60/822589460.db2.gz UZISRAKLWCOCPI-LLVKDONJSA-N 0 0 383.360 4.010 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455109942 822590280 /nfs/dbraw/zinc/59/02/80/822590280.db2.gz PMXXLNKAZRNLPV-WFASDCNBSA-N 0 0 385.386 4.420 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000047599717 822595163 /nfs/dbraw/zinc/59/51/63/822595163.db2.gz HDWPMCYKIFEIBI-UHFFFAOYSA-N 0 0 398.463 4.179 20 5 GIBDRN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000047625353 822597956 /nfs/dbraw/zinc/59/79/56/822597956.db2.gz OBQWEVAVJUFYOO-LBPRGKRZSA-N 0 0 382.338 4.260 20 5 GIBDRN O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc2)c1 ZINC000180050365 822604416 /nfs/dbraw/zinc/60/44/16/822604416.db2.gz VOUGUBLOLLUGQG-HSZRJFAPSA-N 0 0 399.454 4.114 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000184258379 822604501 /nfs/dbraw/zinc/60/45/01/822604501.db2.gz BTLWOOBMQUJWDX-MRXNPFEDSA-N 0 0 399.205 4.254 20 5 GIBDRN COc1cc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1F ZINC000184311555 822612602 /nfs/dbraw/zinc/61/26/02/822612602.db2.gz LGFRABLPMDTSNK-SNVBAGLBSA-N 0 0 388.317 4.492 20 5 GIBDRN Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000180091465 822613729 /nfs/dbraw/zinc/61/37/29/822613729.db2.gz PUNFWUOMLFWVLY-UHFFFAOYSA-N 0 0 379.420 4.061 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2nncn2-c2ccccc2)c2ccccc2)c1 ZINC000180097729 822614878 /nfs/dbraw/zinc/61/48/78/822614878.db2.gz JMSSZHRSQXNCBN-QFIPXVFZSA-N 0 0 385.427 4.055 20 5 GIBDRN CCOc1ccc(C(=O)O[C@@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000180122694 822619897 /nfs/dbraw/zinc/61/98/97/822619897.db2.gz OLJOOIWYSMTKNR-QGZVFWFLSA-N 0 0 384.413 4.396 20 5 GIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000180124412 822620333 /nfs/dbraw/zinc/62/03/33/822620333.db2.gz YQMGRCUAPRQSBZ-UHFFFAOYSA-N 0 0 392.459 4.293 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1ccccc1OC(F)F ZINC000180139262 822624416 /nfs/dbraw/zinc/62/44/16/822624416.db2.gz PKRQJEIDMUYMSM-GFCCVEGCSA-N 0 0 385.388 4.181 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000184377399 822624572 /nfs/dbraw/zinc/62/45/72/822624572.db2.gz ZQVPPGBFNWGJGS-GHMZBOCLSA-N 0 0 379.766 4.169 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184377358 822624581 /nfs/dbraw/zinc/62/45/81/822624581.db2.gz ZQVPPGBFNWGJGS-WDEREUQCSA-N 0 0 379.766 4.169 20 5 GIBDRN O=C(NCCCOCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048053051 822627370 /nfs/dbraw/zinc/62/73/70/822627370.db2.gz BKOJCINXTFVOCG-UHFFFAOYSA-N 0 0 377.828 4.019 20 5 GIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000184415783 822630970 /nfs/dbraw/zinc/63/09/70/822630970.db2.gz IUXIOGAVJSSLRD-DOTOQJQBSA-N 0 0 382.441 4.460 20 5 GIBDRN Cc1ccccc1CNc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000180182383 822634156 /nfs/dbraw/zinc/63/41/56/822634156.db2.gz KCTJTALBQYPZTB-UHFFFAOYSA-N 0 0 376.416 4.471 20 5 GIBDRN COCCOc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000180199070 822637960 /nfs/dbraw/zinc/63/79/60/822637960.db2.gz CCAKUYOVUQMNMC-UHFFFAOYSA-N 0 0 399.230 4.488 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000180201181 822638351 /nfs/dbraw/zinc/63/83/51/822638351.db2.gz WNVXWCLCTAGOCF-UHFFFAOYSA-N 0 0 399.516 4.494 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000455352996 822638735 /nfs/dbraw/zinc/63/87/35/822638735.db2.gz CIVLYIXHSKGEPZ-LRDDRELGSA-N 0 0 391.449 4.097 20 5 GIBDRN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184461329 822639548 /nfs/dbraw/zinc/63/95/48/822639548.db2.gz SNNJMFYMDPKDTB-NEPJUHHUSA-N 0 0 376.482 4.027 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455362937 822640577 /nfs/dbraw/zinc/64/05/77/822640577.db2.gz TZCHFDWZSSFAMV-UHFFFAOYSA-N 0 0 387.440 4.419 20 5 GIBDRN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(Cl)c1 ZINC000180218235 822641343 /nfs/dbraw/zinc/64/13/43/822641343.db2.gz MPSSYFCPYHTROP-UHFFFAOYSA-N 0 0 391.830 4.267 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(F)ccc2n1C ZINC000180229119 822643927 /nfs/dbraw/zinc/64/39/27/822643927.db2.gz ZBFHCWJJRRGZAN-UHFFFAOYSA-N 0 0 388.424 4.373 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000180229274 822643970 /nfs/dbraw/zinc/64/39/70/822643970.db2.gz DIQQFQJWZXGNFT-LLVKDONJSA-N 0 0 392.481 4.267 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184486462 822644120 /nfs/dbraw/zinc/64/41/20/822644120.db2.gz RNILGSGITHBDFL-OLZOCXBDSA-N 0 0 390.509 4.335 20 5 GIBDRN COc1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)c(OC)c1 ZINC000455389872 822645187 /nfs/dbraw/zinc/64/51/87/822645187.db2.gz WZGAGSDUMBMMKN-MRXNPFEDSA-N 0 0 399.447 4.332 20 5 GIBDRN C[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184494122 822645269 /nfs/dbraw/zinc/64/52/69/822645269.db2.gz QKCXXEZBPVZGEU-VXGBXAGGSA-N 0 0 376.482 4.027 20 5 GIBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nc(C(C)(C)C)cs1 ZINC000184501727 822646521 /nfs/dbraw/zinc/64/65/21/822646521.db2.gz XNNHVPYSUUPWEF-NSHDSACASA-N 0 0 387.465 4.250 20 5 GIBDRN CCc1noc(CC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180241592 822646589 /nfs/dbraw/zinc/64/65/89/822646589.db2.gz CAEOTWFNJIMTNA-UHFFFAOYSA-N 0 0 377.466 4.138 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)nc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455399235 822646783 /nfs/dbraw/zinc/64/67/83/822646783.db2.gz SBMOFOUXOVWWSF-CYBMUJFWSA-N 0 0 392.362 4.003 20 5 GIBDRN Cc1c(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1[C@@H]1CCOC1 ZINC000455400432 822646976 /nfs/dbraw/zinc/64/69/76/822646976.db2.gz BZXIILHGLLXMQF-CQSZACIVSA-N 0 0 387.440 4.003 20 5 GIBDRN COCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CCCC1 ZINC000180246995 822647762 /nfs/dbraw/zinc/64/77/62/822647762.db2.gz NCLVRUZLXIXPHD-UHFFFAOYSA-N 0 0 380.510 4.422 20 5 GIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000455408996 822648392 /nfs/dbraw/zinc/64/83/92/822648392.db2.gz ZWAXWNFQVYSFNS-HUUCEWRRSA-N 0 0 380.242 4.010 20 5 GIBDRN CC(C)(C)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000455421108 822650697 /nfs/dbraw/zinc/65/06/97/822650697.db2.gz UVBUFVDBYVAIKK-KVSKMBFKSA-N 0 0 389.496 4.440 20 5 GIBDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000180263246 822650784 /nfs/dbraw/zinc/65/07/84/822650784.db2.gz CEYSVLNBQGSIKR-IFXJQAMLSA-N 0 0 383.448 4.001 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000180265808 822651146 /nfs/dbraw/zinc/65/11/46/822651146.db2.gz DSCKJHQDBXNNSM-OLMNPRSZSA-N 0 0 390.505 4.173 20 5 GIBDRN COc1cccc([C@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000180284782 822655296 /nfs/dbraw/zinc/65/52/96/822655296.db2.gz GGRFQZCCJZGQJF-ZDUSSCGKSA-N 0 0 397.456 4.493 20 5 GIBDRN O=C(NCc1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000184551442 822656030 /nfs/dbraw/zinc/65/60/30/822656030.db2.gz XGUFOLXNTNCGEF-UHFFFAOYSA-N 0 0 385.164 4.225 20 5 GIBDRN C[C@H](Oc1ccccc1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180291833 822657265 /nfs/dbraw/zinc/65/72/65/822657265.db2.gz CEORCAMFTVDDDC-ZDUSSCGKSA-N 0 0 383.429 4.149 20 5 GIBDRN CN(C(=O)CCOc1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180294018 822657854 /nfs/dbraw/zinc/65/78/54/822657854.db2.gz XPCHLVLTAKUFQQ-UHFFFAOYSA-N 0 0 383.429 4.150 20 5 GIBDRN CN(C(=O)CC[C@H]1CCCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180298688 822659050 /nfs/dbraw/zinc/65/90/50/822659050.db2.gz MDEUQZSOPHMCLL-CYBMUJFWSA-N 0 0 375.450 4.030 20 5 GIBDRN Cc1cc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)on1 ZINC000180300662 822659562 /nfs/dbraw/zinc/65/95/62/822659562.db2.gz UZGVWQYUGMCIIA-UHFFFAOYSA-N 0 0 386.433 4.318 20 5 GIBDRN Cc1ccnn1-c1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000184573045 822659699 /nfs/dbraw/zinc/65/96/99/822659699.db2.gz MBCSUDUJNGPGBL-UHFFFAOYSA-N 0 0 391.431 4.285 20 5 GIBDRN CC(C)CN(C(=O)c1cccnc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180300951 822659785 /nfs/dbraw/zinc/65/97/85/822659785.db2.gz QXWFKICCAGACOA-UHFFFAOYSA-N 0 0 382.445 4.416 20 5 GIBDRN Cc1cc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)n(C)n1 ZINC000180301520 822660071 /nfs/dbraw/zinc/66/00/71/822660071.db2.gz DXLZYUBIWYWOMZ-UHFFFAOYSA-N 0 0 399.476 4.063 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc(OC)c(Cl)cc2C1 ZINC000455467555 822660092 /nfs/dbraw/zinc/66/00/92/822660092.db2.gz RMAVEIMAHASAEZ-UHFFFAOYSA-N 0 0 389.839 4.409 20 5 GIBDRN CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184627315 822667963 /nfs/dbraw/zinc/66/79/63/822667963.db2.gz FEKVSXPORFQDFT-UHFFFAOYSA-N 0 0 394.452 4.126 20 5 GIBDRN COc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl ZINC000180388373 822674161 /nfs/dbraw/zinc/67/41/61/822674161.db2.gz VOSIFVGTYXLCDJ-UHFFFAOYSA-N 0 0 378.812 4.443 20 5 GIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000184704699 822679561 /nfs/dbraw/zinc/67/95/61/822679561.db2.gz JWLVPMHPVYSJJF-SNVBAGLBSA-N 0 0 387.392 4.305 20 5 GIBDRN COc1ccc(CS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000048720703 822679594 /nfs/dbraw/zinc/67/95/94/822679594.db2.gz LOYYKKMVCDZQCU-UHFFFAOYSA-N 0 0 390.244 4.025 20 5 GIBDRN Cc1sc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000180451170 822684757 /nfs/dbraw/zinc/68/47/57/822684757.db2.gz UJMBSXGTHAJNHF-QWRGUYRKSA-N 0 0 375.450 4.169 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000180452411 822684882 /nfs/dbraw/zinc/68/48/82/822684882.db2.gz FDXSRJCEMBTSNC-UHFFFAOYSA-N 0 0 375.384 4.152 20 5 GIBDRN Cc1cc(C)cc(OCc2noc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000180459383 822686089 /nfs/dbraw/zinc/68/60/89/822686089.db2.gz UYHGYOQYBVMCCZ-OAHLLOKOSA-N 0 0 382.420 4.024 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000184755243 822686470 /nfs/dbraw/zinc/68/64/70/822686470.db2.gz JSMOJNQEUQYFPY-VQIMIIECSA-N 0 0 396.443 4.256 20 5 GIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc21 ZINC000048873881 822687249 /nfs/dbraw/zinc/68/72/49/822687249.db2.gz RCIFUFWGZCWINV-GFCCVEGCSA-N 0 0 397.818 4.217 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 ZINC000180469957 822687792 /nfs/dbraw/zinc/68/77/92/822687792.db2.gz OGMFDSVTHAXJOX-UHFFFAOYSA-N 0 0 379.216 4.280 20 5 GIBDRN O=C(N[C@H](c1ccccc1)C(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000455639250 822688708 /nfs/dbraw/zinc/68/87/08/822688708.db2.gz FMMXORLDIQHIKJ-QGZVFWFLSA-N 0 0 375.375 4.275 20 5 GIBDRN CCc1cc(NC(=O)Cc2noc3ccccc23)c2cc([N+](=O)[O-])ccc2n1 ZINC000180503348 822692204 /nfs/dbraw/zinc/69/22/04/822692204.db2.gz BJTVDFVUFGLVJB-UHFFFAOYSA-N 0 0 376.372 4.028 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000184844390 822699187 /nfs/dbraw/zinc/69/91/87/822699187.db2.gz YVEAEFJHFXTOCJ-CABCVRRESA-N 0 0 385.439 4.315 20 5 GIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000184880587 822706437 /nfs/dbraw/zinc/70/64/37/822706437.db2.gz QNNTWCVGALPHMH-CQSZACIVSA-N 0 0 399.447 4.003 20 5 GIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000180596822 822708088 /nfs/dbraw/zinc/70/80/88/822708088.db2.gz RCPNPVCSADPYLG-LJQANCHMSA-N 0 0 399.422 4.322 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nccs1 ZINC000184918336 822712925 /nfs/dbraw/zinc/71/29/25/822712925.db2.gz JLKYUOGFJZHRRI-LBPRGKRZSA-N 0 0 379.507 4.428 20 5 GIBDRN Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000180622073 822714366 /nfs/dbraw/zinc/71/43/66/822714366.db2.gz OUVQHYVKPNYPTQ-MRVPVSSYSA-N 0 0 382.214 4.094 20 5 GIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000184970006 822719812 /nfs/dbraw/zinc/71/98/12/822719812.db2.gz MRWDXYONYVAMLC-BDJLRTHQSA-N 0 0 391.468 4.392 20 5 GIBDRN Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n(C(C)(C)C)n1 ZINC000050316068 822725396 /nfs/dbraw/zinc/72/53/96/822725396.db2.gz IPDBUPOTUVUTRJ-UHFFFAOYSA-N 0 0 385.449 4.231 20 5 GIBDRN O=[N+]([O-])c1cccc(F)c1OCc1nc(-c2cccc(Br)c2)no1 ZINC000185021899 822726296 /nfs/dbraw/zinc/72/62/96/822726296.db2.gz BACIGHLAHWSMSP-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000185044737 822728658 /nfs/dbraw/zinc/72/86/58/822728658.db2.gz CRZWVWCNKZSKTR-OAHLLOKOSA-N 0 0 378.375 4.081 20 5 GIBDRN COc1ccc(COc2c(F)cccc2[N+](=O)[O-])c(Br)c1OC ZINC000185046295 822728836 /nfs/dbraw/zinc/72/88/36/822728836.db2.gz SIJHVPXNMALNAI-UHFFFAOYSA-N 0 0 386.173 4.093 20 5 GIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccccn1 ZINC000050610294 822734628 /nfs/dbraw/zinc/73/46/28/822734628.db2.gz YMYLQIUVWUHYND-KRWDZBQOSA-N 0 0 380.429 4.091 20 5 GIBDRN COc1cccc(-c2noc([C@@H](C)NCc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000185108687 822738305 /nfs/dbraw/zinc/73/83/05/822738305.db2.gz INAVWVTZVBJECO-LLVKDONJSA-N 0 0 388.811 4.158 20 5 GIBDRN COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC(C)C ZINC000185120621 822739623 /nfs/dbraw/zinc/73/96/23/822739623.db2.gz TXWRIDVWSQTIGN-SFHVURJKSA-N 0 0 392.839 4.153 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1OC(F)F ZINC000185147926 822742975 /nfs/dbraw/zinc/74/29/75/822742975.db2.gz FXKQYRKSQMBQAO-SECBINFHSA-N 0 0 386.351 4.455 20 5 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396.472 4.197 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000052986917 822817604 /nfs/dbraw/zinc/81/76/04/822817604.db2.gz PYZYFODQTGBNDZ-INIZCTEOSA-N 0 0 390.461 4.086 20 5 GIBDRN CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc21 ZINC000456616709 822819688 /nfs/dbraw/zinc/81/96/88/822819688.db2.gz YIOIIHHFYSVTCE-INIZCTEOSA-N 0 0 393.365 4.315 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)NCc2nc3ccccc3n2C2CC2)cc1[N+](=O)[O-] ZINC000185776577 822820321 /nfs/dbraw/zinc/82/03/21/822820321.db2.gz USLPYAQDDBXBTH-AWEZNQCLSA-N 0 0 393.447 4.148 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N(C)Cc2ccsc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053120208 822822629 /nfs/dbraw/zinc/82/26/29/822822629.db2.gz SUZJTGPFMZULIT-AWEZNQCLSA-N 0 0 396.472 4.497 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1COc1ccccc1 ZINC000053217187 822826411 /nfs/dbraw/zinc/82/64/11/822826411.db2.gz SGFCJVLNTLLGAC-UHFFFAOYSA-N 0 0 376.412 4.146 20 5 GIBDRN CC(C)Oc1ccc2ccccc2c1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185842784 822826520 /nfs/dbraw/zinc/82/65/20/822826520.db2.gz VJTQXOPDBCOFIW-UHFFFAOYSA-N 0 0 379.416 4.047 20 5 GIBDRN O=C(Oc1cccc2c1CCCC2=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174708976 822826680 /nfs/dbraw/zinc/82/66/80/822826680.db2.gz OPULAVQMTMNINJ-UHFFFAOYSA-N 0 0 394.408 4.457 20 5 GIBDRN COc1ccccc1C1(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CCC1 ZINC000185918058 822833237 /nfs/dbraw/zinc/83/32/37/822833237.db2.gz GXTJJKHEXFBXBF-UHFFFAOYSA-N 0 0 386.473 4.177 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456822444 822835192 /nfs/dbraw/zinc/83/51/92/822835192.db2.gz DGMGMQWVCKBKRQ-LJQANCHMSA-N 0 0 385.370 4.261 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456822217 822835223 /nfs/dbraw/zinc/83/52/23/822835223.db2.gz CVLLTSPOZQVESA-QGZVFWFLSA-N 0 0 382.313 4.057 20 5 GIBDRN C[C@H](Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000053454001 822835503 /nfs/dbraw/zinc/83/55/03/822835503.db2.gz SKAZVSDVXGRCJB-CQSZACIVSA-N 0 0 385.445 4.495 20 5 GIBDRN Cc1nn(CCC(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000185977259 822840039 /nfs/dbraw/zinc/84/00/39/822840039.db2.gz NRIQTPYMUYLOCF-UHFFFAOYSA-N 0 0 390.749 4.109 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)c1 ZINC000456921223 822841800 /nfs/dbraw/zinc/84/18/00/822841800.db2.gz KOJPUBIADIAVOY-RZDIXWSQSA-N 0 0 393.443 4.032 20 5 GIBDRN COc1ccc(-c2nc(Cc3noc(-c4cc(C)ccc4[N+](=O)[O-])n3)co2)cc1 ZINC000174822842 822842089 /nfs/dbraw/zinc/84/20/89/822842089.db2.gz ADVZZWXLAOGXMT-UHFFFAOYSA-N 0 0 392.371 4.208 20 5 GIBDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185997275 822842224 /nfs/dbraw/zinc/84/22/24/822842224.db2.gz NDHHIMUDBCKDHU-UHFFFAOYSA-N 0 0 387.745 4.007 20 5 GIBDRN CC(C)c1nnc(SCCOc2ccccc2[N+](=O)[O-])n1Cc1ccco1 ZINC000053665796 822844069 /nfs/dbraw/zinc/84/40/69/822844069.db2.gz OQMRRKXXJMCUQK-UHFFFAOYSA-N 0 0 388.449 4.122 20 5 GIBDRN CSc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] ZINC000186024347 822844743 /nfs/dbraw/zinc/84/47/43/822844743.db2.gz SNCFABCEFSUBPC-ZDUSSCGKSA-N 0 0 378.450 4.423 20 5 GIBDRN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000186027199 822844962 /nfs/dbraw/zinc/84/49/62/822844962.db2.gz AJGQYWBJEXRKIB-STQMWFEESA-N 0 0 376.334 4.095 20 5 GIBDRN CSc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1[N+](=O)[O-] ZINC000186028060 822845103 /nfs/dbraw/zinc/84/51/03/822845103.db2.gz WXYGIGKHLZCDTE-UHFFFAOYSA-N 0 0 394.456 4.243 20 5 GIBDRN CSc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000186028619 822845111 /nfs/dbraw/zinc/84/51/11/822845111.db2.gz KVYFEIVJYFJHPA-UHFFFAOYSA-N 0 0 386.351 4.145 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccccc2O)cc1[N+](=O)[O-])c1ccccn1 ZINC000053791308 822848083 /nfs/dbraw/zinc/84/80/83/822848083.db2.gz BDZVITRRQKBKPP-CYBMUJFWSA-N 0 0 378.388 4.121 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(O)c1 ZINC000053790414 822848119 /nfs/dbraw/zinc/84/81/19/822848119.db2.gz COTICHFYZSZPFB-AWEZNQCLSA-N 0 0 392.415 4.429 20 5 GIBDRN CC(C)n1nccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053795399 822848372 /nfs/dbraw/zinc/84/83/72/822848372.db2.gz LJTADFRPPVGFKI-CQSZACIVSA-N 0 0 394.435 4.193 20 5 GIBDRN COC(=O)c1cccc(-c2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000174879207 822849986 /nfs/dbraw/zinc/84/99/86/822849986.db2.gz UKJXJRKETUITDL-NSHDSACASA-N 0 0 385.401 4.285 20 5 GIBDRN COc1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1F ZINC000457074009 822850230 /nfs/dbraw/zinc/85/02/30/822850230.db2.gz KEVODGHUABZXCZ-GXTWGEPZSA-N 0 0 392.814 4.462 20 5 GIBDRN COc1cc(C(=O)NC2(c3ccccc3)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053887439 822851712 /nfs/dbraw/zinc/85/17/12/822851712.db2.gz NCTURKBEZMTWLM-UHFFFAOYSA-N 0 0 392.358 4.014 20 5 GIBDRN COc1c(C)ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000174899846 822852741 /nfs/dbraw/zinc/85/27/41/822852741.db2.gz NABDADDKSZIEEV-UHFFFAOYSA-N 0 0 399.447 4.296 20 5 GIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000053944600 822853516 /nfs/dbraw/zinc/85/35/16/822853516.db2.gz UVWHFDJMGIJTEO-LXGFQCHUSA-N 0 0 397.519 4.016 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(CC(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000457137894 822856576 /nfs/dbraw/zinc/85/65/76/822856576.db2.gz ICTUPLMGYPEZTK-ZDUSSCGKSA-N 0 0 399.413 4.246 20 5 GIBDRN Cc1ccc(C)c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000054005094 822856905 /nfs/dbraw/zinc/85/69/05/822856905.db2.gz KUPRHYGLRRUMDF-SFHVURJKSA-N 0 0 399.447 4.416 20 5 GIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000186170568 822857731 /nfs/dbraw/zinc/85/77/31/822857731.db2.gz MHQXKKCEYRDRCQ-QWHCGFSZSA-N 0 0 384.411 4.084 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000457196978 822860200 /nfs/dbraw/zinc/86/02/00/822860200.db2.gz SGSFOVDRXMSMCV-LZLYRXPVSA-N 0 0 388.489 4.262 20 5 GIBDRN O=C(N[C@@H](C1CC1)C1CCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000457244288 822862146 /nfs/dbraw/zinc/86/21/46/822862146.db2.gz MWNBOKCQELZBBE-GOSISDBHSA-N 0 0 382.410 4.268 20 5 GIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000054171119 822865396 /nfs/dbraw/zinc/86/53/96/822865396.db2.gz RCWFEFAQUGJGBH-LBPRGKRZSA-N 0 0 377.238 4.108 20 5 GIBDRN CCc1cccc(N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000457335049 822867730 /nfs/dbraw/zinc/86/77/30/822867730.db2.gz HCKZRFFDJRXGSE-UHFFFAOYSA-N 0 0 392.459 4.295 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000054224731 822869663 /nfs/dbraw/zinc/86/96/63/822869663.db2.gz LVRIVVIVSIQNSX-GFCCVEGCSA-N 0 0 386.408 4.039 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc2cc(Cl)ccc2s1 ZINC000569028584 822871035 /nfs/dbraw/zinc/87/10/35/822871035.db2.gz NFBIOCUSBQYLBP-UHFFFAOYSA-N 0 0 383.763 4.317 20 5 GIBDRN O=C(NCC1(Cc2ccccc2)CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569038873 822872055 /nfs/dbraw/zinc/87/20/55/822872055.db2.gz KNSHPSRQKRGERY-UHFFFAOYSA-N 0 0 378.350 4.366 20 5 GIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ncoc1-c1ccc(F)cc1 ZINC000186298402 822872825 /nfs/dbraw/zinc/87/28/25/822872825.db2.gz LEEORTMXUCOILT-UHFFFAOYSA-N 0 0 378.319 4.189 20 5 GIBDRN CC(C)C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000175054013 822874589 /nfs/dbraw/zinc/87/45/89/822874589.db2.gz RWMUESYFTHYLGC-KRWDZBQOSA-N 0 0 389.839 4.090 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1Br ZINC000186312859 822874895 /nfs/dbraw/zinc/87/48/95/822874895.db2.gz ISYUIWKWHMJTKO-UHFFFAOYSA-N 0 0 395.209 4.017 20 5 GIBDRN CC(=O)c1ccc(Sc2nnc(C(C)C)n2Cc2ccco2)c([N+](=O)[O-])c1 ZINC000054371139 822879037 /nfs/dbraw/zinc/87/90/37/822879037.db2.gz OWVWZPRVCDIGFG-UHFFFAOYSA-N 0 0 386.433 4.305 20 5 GIBDRN CCOc1cc(C(=O)N(CC)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000186344326 822879056 /nfs/dbraw/zinc/87/90/56/822879056.db2.gz LIQCPZKBXUJAGP-CYBMUJFWSA-N 0 0 392.477 4.157 20 5 GIBDRN CCOc1cc(NC(=O)c2cccc(F)c2Cl)c([N+](=O)[O-])cc1OCC ZINC000175085151 822879589 /nfs/dbraw/zinc/87/95/89/822879589.db2.gz PZPVIBBKWDBBHS-UHFFFAOYSA-N 0 0 382.775 4.437 20 5 GIBDRN O=C(Nc1cc(C(F)F)ccc1Cl)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000569167842 822887571 /nfs/dbraw/zinc/88/75/71/822887571.db2.gz ABNBIKRBYAYVEA-UHFFFAOYSA-N 0 0 384.722 4.209 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1SCCc2sccc21 ZINC000175128244 822888221 /nfs/dbraw/zinc/88/82/21/822888221.db2.gz SMZGCQDAHKYJNG-ZDUSSCGKSA-N 0 0 386.401 4.227 20 5 GIBDRN CCOc1ccc(NC(=O)CSc2c(F)cc(F)cc2F)c([N+](=O)[O-])c1 ZINC000054475473 822888708 /nfs/dbraw/zinc/88/87/08/822888708.db2.gz INDWNLPLCJIOFB-UHFFFAOYSA-N 0 0 386.351 4.142 20 5 GIBDRN COc1ccc(CSCC(=O)Nc2cccc(C)c2Cl)cc1[N+](=O)[O-] ZINC000175157283 822893915 /nfs/dbraw/zinc/89/39/15/822893915.db2.gz LKEXURXOWVUNGD-UHFFFAOYSA-N 0 0 380.853 4.437 20 5 GIBDRN Cc1cc(Br)c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000457587060 822894816 /nfs/dbraw/zinc/89/48/16/822894816.db2.gz HTTWHUGCVDGZTF-UHFFFAOYSA-N 0 0 381.251 4.320 20 5 GIBDRN C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000054570245 822896334 /nfs/dbraw/zinc/89/63/34/822896334.db2.gz CXDHBRLJFABIPR-UZLBHIALSA-N 0 0 383.448 4.047 20 5 GIBDRN Cc1ncc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000054573359 822896492 /nfs/dbraw/zinc/89/64/92/822896492.db2.gz JRQVWFACKDISLV-UHFFFAOYSA-N 0 0 382.445 4.376 20 5 GIBDRN COc1ccc([C@@H](C)CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000175192032 822901339 /nfs/dbraw/zinc/90/13/39/822901339.db2.gz JHJBQPCXMAWLFS-ZDUSSCGKSA-N 0 0 376.840 4.409 20 5 GIBDRN COc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1[N+](=O)[O-] ZINC000054667297 822903023 /nfs/dbraw/zinc/90/30/23/822903023.db2.gz XJXSUGJBDVIFJM-UHFFFAOYSA-N 0 0 392.415 4.056 20 5 GIBDRN O=C(NC1(c2nccs2)CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175212918 822905763 /nfs/dbraw/zinc/90/57/63/822905763.db2.gz XGKZCWYZAJBRQT-UHFFFAOYSA-N 0 0 385.367 4.269 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1[N+](=O)[O-] ZINC000186514181 822907163 /nfs/dbraw/zinc/90/71/63/822907163.db2.gz SGOQIGGZOAGGKI-RUZDIDTESA-N 0 0 398.893 4.101 20 5 GIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000569359297 822911076 /nfs/dbraw/zinc/91/10/76/822911076.db2.gz MSYVQXZALQLTGH-UHFFFAOYSA-N 0 0 396.472 4.349 20 5 GIBDRN O=C(NCc1ccccc1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000054778271 822911965 /nfs/dbraw/zinc/91/19/65/822911965.db2.gz SZQSSWGMTZIDPX-UHFFFAOYSA-N 0 0 394.402 4.381 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cc(COc4ccccc4F)on3)n2)cc1 ZINC000569387553 822914609 /nfs/dbraw/zinc/91/46/09/822914609.db2.gz AIGJHFIITJCBBN-UHFFFAOYSA-N 0 0 382.307 4.018 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000054827830 822916098 /nfs/dbraw/zinc/91/60/98/822916098.db2.gz DMIVIAPQDYXQTO-UHFFFAOYSA-N 0 0 379.210 4.317 20 5 GIBDRN COC[C@@H](C)n1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000186578266 822916675 /nfs/dbraw/zinc/91/66/75/822916675.db2.gz KQDVJLXNINEFCE-CQSZACIVSA-N 0 0 396.403 4.043 20 5 GIBDRN C[C@H](C(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000569420135 822920800 /nfs/dbraw/zinc/92/08/00/822920800.db2.gz BFLKBRCHQGAVRA-VBKZILBWSA-N 0 0 379.391 4.138 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000457846817 822925020 /nfs/dbraw/zinc/92/50/20/822925020.db2.gz HIMBVHNQENFYET-FNHZYXHNSA-N 0 0 383.448 4.252 20 5 GIBDRN CCc1c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000186634940 822926990 /nfs/dbraw/zinc/92/69/90/822926990.db2.gz YKBOISXZKDDABK-UHFFFAOYSA-N 0 0 384.823 4.273 20 5 GIBDRN CCOc1ccc([C@@H](C)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641892 822928065 /nfs/dbraw/zinc/92/80/65/822928065.db2.gz KPDXJGNOSVLIEF-SZNDQCEHSA-N 0 0 398.438 4.306 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000569496005 822929939 /nfs/dbraw/zinc/92/99/39/822929939.db2.gz CKKRYZPYGYRPIG-CQSZACIVSA-N 0 0 389.477 4.153 20 5 GIBDRN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000055005675 822930019 /nfs/dbraw/zinc/93/00/19/822930019.db2.gz RLPZXHHTCVGASH-LBPRGKRZSA-N 0 0 382.338 4.260 20 5 GIBDRN C[C@@H]1C[C@H]1CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513853 822932647 /nfs/dbraw/zinc/93/26/47/822932647.db2.gz SPRDZHWLYGABIZ-CVEARBPZSA-N 0 0 399.516 4.014 20 5 GIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000186665737 822932891 /nfs/dbraw/zinc/93/28/91/822932891.db2.gz AXDZJORKGSITCD-LBPRGKRZSA-N 0 0 397.431 4.373 20 5 GIBDRN CC[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516621 822933089 /nfs/dbraw/zinc/93/30/89/822933089.db2.gz SGUZZHLDNWBEDX-TZIWHRDSSA-N 0 0 394.475 4.173 20 5 GIBDRN CC[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000186668435 822933492 /nfs/dbraw/zinc/93/34/92/822933492.db2.gz MUQSABPUJSXSKS-IBGZPJMESA-N 0 0 380.379 4.072 20 5 GIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c2cccnc2c1C ZINC000175322848 822935179 /nfs/dbraw/zinc/93/51/79/822935179.db2.gz JDBKLZLHEOFEQA-UHFFFAOYSA-N 0 0 380.360 4.229 20 5 GIBDRN Cc1nc(-c2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000055069671 822936140 /nfs/dbraw/zinc/93/61/40/822936140.db2.gz UCCNCFUJTXKOPL-UHFFFAOYSA-N 0 0 397.456 4.112 20 5 GIBDRN O=C(Nc1ccc(-c2ccco2)cc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000569540725 822937178 /nfs/dbraw/zinc/93/71/78/822937178.db2.gz NKJXVJAGFWDRSU-UHFFFAOYSA-N 0 0 384.319 4.017 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457927648 822938146 /nfs/dbraw/zinc/93/81/46/822938146.db2.gz KIFPAXGWCXJVIQ-ZDUSSCGKSA-N 0 0 393.896 4.263 20 5 GIBDRN CCc1ccc(C(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000175334667 822938395 /nfs/dbraw/zinc/93/83/95/822938395.db2.gz IFIGNPSQQGUSRT-KRWDZBQOSA-N 0 0 392.459 4.362 20 5 GIBDRN CC(C)(NC(=O)NCc1coc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000175336592 822938875 /nfs/dbraw/zinc/93/88/75/822938875.db2.gz CLAGQWOQQUHACQ-UHFFFAOYSA-N 0 0 386.433 4.046 20 5 GIBDRN CC(C)(C)OCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000186697588 822939827 /nfs/dbraw/zinc/93/98/27/822939827.db2.gz UBJMKKIHSPHYRV-UHFFFAOYSA-N 0 0 387.314 4.169 20 5 GIBDRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175341451 822939935 /nfs/dbraw/zinc/93/99/35/822939935.db2.gz LYKTZTYTIIQSCR-UHFFFAOYSA-N 0 0 391.214 4.399 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457962689 822944696 /nfs/dbraw/zinc/94/46/96/822944696.db2.gz PWZXTDXYESROGY-CQSZACIVSA-N 0 0 396.472 4.255 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000457978287 822947004 /nfs/dbraw/zinc/94/70/04/822947004.db2.gz SOJYZCZSFLGGBK-SJORKVTESA-N 0 0 390.505 4.128 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c1 ZINC000569646328 822949415 /nfs/dbraw/zinc/94/94/15/822949415.db2.gz MSCXPFYMWJFMSP-UHFFFAOYSA-N 0 0 394.387 4.059 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000175371733 822949726 /nfs/dbraw/zinc/94/97/26/822949726.db2.gz PDSDVZIWUWLKTD-UHFFFAOYSA-N 0 0 391.383 4.047 20 5 GIBDRN CCc1nnc(-c2cccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)o1 ZINC000175396067 822958188 /nfs/dbraw/zinc/95/81/88/822958188.db2.gz KKYGCWJXBMKKSN-UHFFFAOYSA-N 0 0 384.417 4.181 20 5 GIBDRN O=C(NCc1cc2ccccc2[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458101040 822958468 /nfs/dbraw/zinc/95/84/68/822958468.db2.gz HXNMFZKFTUQPSP-KRWDZBQOSA-N 0 0 378.432 4.165 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175411299 822962111 /nfs/dbraw/zinc/96/21/11/822962111.db2.gz RVXMDXBCQIHATO-JKSUJKDBSA-N 0 0 389.502 4.219 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175411338 822962194 /nfs/dbraw/zinc/96/21/94/822962194.db2.gz RVXMDXBCQIHATO-HZPDHXFCSA-N 0 0 389.502 4.219 20 5 GIBDRN C[C@@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000175415458 822963538 /nfs/dbraw/zinc/96/35/38/822963538.db2.gz UIJMCGQSKYBLPN-UNEWFSDZSA-N 0 0 389.477 4.015 20 5 GIBDRN C[C@@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415765 822963836 /nfs/dbraw/zinc/96/38/36/822963836.db2.gz ZVBWIGGEOAAFGX-UTKZUKDTSA-N 0 0 397.475 4.089 20 5 GIBDRN CC(C)Oc1ccc(Cl)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000569752826 822963866 /nfs/dbraw/zinc/96/38/66/822963866.db2.gz MUVWEYIKLRRZTE-UHFFFAOYSA-N 0 0 377.828 4.110 20 5 GIBDRN Cc1cc2c(cc1Br)N(C(=O)c1csc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000175420711 822964517 /nfs/dbraw/zinc/96/45/17/822964517.db2.gz RIZARSCDRXCDRR-VIFPVBQESA-N 0 0 397.250 4.155 20 5 GIBDRN Cc1cc2c(cc1Br)N(C(=O)c1ccc([N+](=O)[O-])s1)C[C@@H](C)O2 ZINC000175422662 822965126 /nfs/dbraw/zinc/96/51/26/822965126.db2.gz IPJKHNRNUSHATB-SECBINFHSA-N 0 0 397.250 4.155 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCC(C(F)F)CC1 ZINC000458180847 822965851 /nfs/dbraw/zinc/96/58/51/822965851.db2.gz NAPFJKKFRAFRKN-UHFFFAOYSA-N 0 0 391.212 4.219 20 5 GIBDRN Cc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccco1 ZINC000055465587 822966813 /nfs/dbraw/zinc/96/68/13/822966813.db2.gz OQKVNVRBIJOQGK-AWEZNQCLSA-N 0 0 393.399 4.240 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000055466440 822967037 /nfs/dbraw/zinc/96/70/37/822967037.db2.gz BIPPRJQTFOLNIQ-ZDUSSCGKSA-N 0 0 397.456 4.430 20 5 GIBDRN COC(=O)c1cccc2c1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000055469563 822967487 /nfs/dbraw/zinc/96/74/87/822967487.db2.gz QDGGZGQJJYFNRS-UHFFFAOYSA-N 0 0 396.424 4.189 20 5 GIBDRN CCOc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000569782943 822968273 /nfs/dbraw/zinc/96/82/73/822968273.db2.gz QIJRAXPZNPXQGH-HLLBOEOZSA-N 0 0 398.459 4.409 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1[N+](=O)[O-] ZINC000186861683 822969954 /nfs/dbraw/zinc/96/99/54/822969954.db2.gz LWSAVHSTHKVARV-UHFFFAOYSA-N 0 0 388.836 4.408 20 5 GIBDRN CCC1(c2ccccc2)CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000458237219 822972340 /nfs/dbraw/zinc/97/23/40/822972340.db2.gz XQNBBIUMHHXPKZ-UHFFFAOYSA-N 0 0 386.473 4.129 20 5 GIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CC2CC2)cc1[N+](=O)[O-] ZINC000055519546 822973522 /nfs/dbraw/zinc/97/35/22/822973522.db2.gz SINUJTCESJFUDN-UHFFFAOYSA-N 0 0 384.457 4.030 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000458254564 822974238 /nfs/dbraw/zinc/97/42/38/822974238.db2.gz JJKGMUZLWLAHAS-KPEUIFRASA-N 0 0 380.448 4.081 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000186886608 822974867 /nfs/dbraw/zinc/97/48/67/822974867.db2.gz XUSZTMVPNYXSBX-YOEHRIQHSA-N 0 0 386.473 4.214 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000186886856 822974880 /nfs/dbraw/zinc/97/48/80/822974880.db2.gz LEDHGYPHIAFNGW-QGZVFWFLSA-N 0 0 390.386 4.012 20 5 GIBDRN Cc1cc(-c2ncccc2NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cs1 ZINC000186889490 822975226 /nfs/dbraw/zinc/97/52/26/822975226.db2.gz WXGWVSMFABAOED-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN Cc1cc(-c2ncccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])cs1 ZINC000186911666 822978606 /nfs/dbraw/zinc/97/86/06/822978606.db2.gz ZGSGJGGNCHKXQC-UHFFFAOYSA-N 0 0 382.445 4.467 20 5 GIBDRN CC(C)COC[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000175479375 822978916 /nfs/dbraw/zinc/97/89/16/822978916.db2.gz PEBBZIIJUOLLNF-KRWDZBQOSA-N 0 0 389.452 4.136 20 5 GIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055560507 822978964 /nfs/dbraw/zinc/97/89/64/822978964.db2.gz AMANEQMXKLHQTR-UHFFFAOYSA-N 0 0 381.432 4.218 20 5 GIBDRN COc1ccc(Cn2cc(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)cn2)cc1 ZINC000569875900 822979491 /nfs/dbraw/zinc/97/94/91/822979491.db2.gz 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QGLHBTLEAMFSKY-UHFFFAOYSA-N 0 0 384.373 4.187 20 5 GIBDRN CCc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000192122797 823867481 /nfs/dbraw/zinc/86/74/81/823867481.db2.gz BVTBOSPHXRCQKE-UHFFFAOYSA-N 0 0 384.823 4.178 20 5 GIBDRN Cc1ccc(C(=O)NC2CC2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000462206374 823870871 /nfs/dbraw/zinc/87/08/71/823870871.db2.gz BMTGDDFCTWICRB-UHFFFAOYSA-N 0 0 383.448 4.195 20 5 GIBDRN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000126454493 823872054 /nfs/dbraw/zinc/87/20/54/823872054.db2.gz NOMGFRFAFRSLQM-MRXNPFEDSA-N 0 0 390.443 4.260 20 5 GIBDRN CC(C)(C)c1ccncc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000413941461 823872435 /nfs/dbraw/zinc/87/24/35/823872435.db2.gz VDADCLOFBLOCIP-UHFFFAOYSA-N 0 0 391.855 4.026 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000126479607 823879012 /nfs/dbraw/zinc/87/90/12/823879012.db2.gz IHUAZDIPMBGDKI-UGKGYDQZSA-N 0 0 382.460 4.038 20 5 GIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000126484287 823880335 /nfs/dbraw/zinc/88/03/35/823880335.db2.gz MCAFYDIUWVQVMW-PKOBYXMFSA-N 0 0 399.491 4.313 20 5 GIBDRN O=C(NCC(F)(F)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462228498 823882635 /nfs/dbraw/zinc/88/26/35/823882635.db2.gz WEXSBATURKMOOC-UHFFFAOYSA-N 0 0 375.375 4.061 20 5 GIBDRN Cc1cc(OCCCC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000064777272 823884101 /nfs/dbraw/zinc/88/41/01/823884101.db2.gz DDBNDLNLHCHCNB-UHFFFAOYSA-N 0 0 376.840 4.075 20 5 GIBDRN O=C(CCCOc1cccc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064778731 823884657 /nfs/dbraw/zinc/88/46/57/823884657.db2.gz HRJOTCWNKFGVAG-UHFFFAOYSA-N 0 0 378.428 4.266 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2cc(C(F)F)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000575022928 823890643 /nfs/dbraw/zinc/89/06/43/823890643.db2.gz JVJMENGWIHKRPT-UHFFFAOYSA-N 0 0 384.722 4.225 20 5 GIBDRN CCOC(=O)c1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064863795 823903516 /nfs/dbraw/zinc/90/35/16/823903516.db2.gz FTONRESIPWMWMF-UHFFFAOYSA-N 0 0 397.412 4.147 20 5 GIBDRN CC(C)(C)S(=O)(=O)Cc1ccc(NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000126592130 823907216 /nfs/dbraw/zinc/90/72/16/823907216.db2.gz LKAULHDCGNPSSB-SOFGYWHQSA-N 0 0 388.489 4.433 20 5 GIBDRN O=C(NCCc1cccc(Cl)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064896746 823907595 /nfs/dbraw/zinc/90/75/95/823907595.db2.gz GNCVVBWPFMVPFX-UHFFFAOYSA-N 0 0 387.848 4.344 20 5 GIBDRN CCOc1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])cc1OC ZINC000064901805 823908558 /nfs/dbraw/zinc/90/85/58/823908558.db2.gz SQSIXIQIXOWVCT-UHFFFAOYSA-N 0 0 397.431 4.030 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000169253975 823910244 /nfs/dbraw/zinc/91/02/44/823910244.db2.gz BVNACOHAUHZMSH-UHFFFAOYSA-N 0 0 381.819 4.283 20 5 GIBDRN CCc1cc(NCc2ccccc2[N+](=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914567 823910695 /nfs/dbraw/zinc/91/06/95/823910695.db2.gz JLNYIMLOGPYARO-UHFFFAOYSA-N 0 0 379.376 4.135 20 5 GIBDRN CNC(=O)c1ccc(Nc2ccccc2COc2ccccc2)c([N+](=O)[O-])c1 ZINC000064915122 823911278 /nfs/dbraw/zinc/91/12/78/823911278.db2.gz AISGZXMDSHKWRU-UHFFFAOYSA-N 0 0 377.400 4.277 20 5 GIBDRN O=C(Nc1c2c(cc3c1CCC3)CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575099256 823912402 /nfs/dbraw/zinc/91/24/02/823912402.db2.gz NIUPDQISVBGABN-UHFFFAOYSA-N 0 0 377.444 4.162 20 5 GIBDRN O=[N+]([O-])c1c(NCC2(c3cccc(Cl)c3)CCOCC2)nc2sccn21 ZINC000064931245 823913547 /nfs/dbraw/zinc/91/35/47/823913547.db2.gz ZEMJFIYGFJYTOJ-UHFFFAOYSA-N 0 0 392.868 4.118 20 5 GIBDRN CC(C)CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000126627928 823914753 /nfs/dbraw/zinc/91/47/53/823914753.db2.gz MMWHCPMMEMFUMS-LJQANCHMSA-N 0 0 397.475 4.094 20 5 GIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ccncc2)CC1 ZINC000192270741 823925394 /nfs/dbraw/zinc/92/53/94/823925394.db2.gz UJTITLHPFJLBHP-UHFFFAOYSA-N 0 0 391.880 4.142 20 5 GIBDRN C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462327486 823925778 /nfs/dbraw/zinc/92/57/78/823925778.db2.gz ORINAOFWWZGQAM-ZJUUUORDSA-N 0 0 381.281 4.101 20 5 GIBDRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000462334522 823928593 /nfs/dbraw/zinc/92/85/93/823928593.db2.gz UZUMQUSACQVHEV-INIZCTEOSA-N 0 0 394.880 4.391 20 5 GIBDRN C[C@@H](Sc1ccccc1)c1ccc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000575175193 823931705 /nfs/dbraw/zinc/93/17/05/823931705.db2.gz KKCVWPGQTVVNRY-DNVCBOLYSA-N 0 0 398.488 4.118 20 5 GIBDRN CCSCc1ccccc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000575216693 823942101 /nfs/dbraw/zinc/94/21/01/823942101.db2.gz LAMHANSPWPPVDA-UHFFFAOYSA-N 0 0 385.445 4.497 20 5 GIBDRN COc1ccc(C(=O)Nc2cc(Br)ccc2Cl)cc1[N+](=O)[O-] ZINC000170695347 823942996 /nfs/dbraw/zinc/94/29/96/823942996.db2.gz CCMNRQLTMVNBBG-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN C=Cc1ccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000462367617 823944090 /nfs/dbraw/zinc/94/40/90/823944090.db2.gz DRCNZLINVGHNRR-UHFFFAOYSA-N 0 0 381.251 4.034 20 5 GIBDRN Cc1nn(C)c2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc12 ZINC000462383657 823953149 /nfs/dbraw/zinc/95/31/49/823953149.db2.gz LIEIQAURKZGBKS-UHFFFAOYSA-N 0 0 378.310 4.061 20 5 GIBDRN C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000170723474 823953856 /nfs/dbraw/zinc/95/38/56/823953856.db2.gz CFSBGJSWWSRYRY-KDOFPFPSSA-N 0 0 399.447 4.038 20 5 GIBDRN COc1ccccc1N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000065160134 823953943 /nfs/dbraw/zinc/95/39/43/823953943.db2.gz JDKWKOVUNSOZFU-UHFFFAOYSA-N 0 0 391.427 4.492 20 5 GIBDRN CO[C@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000170727698 823956235 /nfs/dbraw/zinc/95/62/35/823956235.db2.gz GPKKOSGTTKWYGT-SNVBAGLBSA-N 0 0 379.210 4.317 20 5 GIBDRN CCc1ccc([C@@H](NCc2nnc(C3CC3)s2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414330153 823959871 /nfs/dbraw/zinc/95/98/71/823959871.db2.gz RUUPHOSIGVZFRQ-SFHVURJKSA-N 0 0 384.461 4.358 20 5 GIBDRN CC(C)c1cnc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000192399537 823970984 /nfs/dbraw/zinc/97/09/84/823970984.db2.gz NCTIWRBPVYJJSI-UHFFFAOYSA-N 0 0 390.465 4.250 20 5 GIBDRN C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462427138 823971071 /nfs/dbraw/zinc/97/10/71/823971071.db2.gz JIOAMCUXSAYBHC-ONGXEEELSA-N 0 0 381.281 4.101 20 5 GIBDRN C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462427135 823971160 /nfs/dbraw/zinc/97/11/60/823971160.db2.gz JIOAMCUXSAYBHC-GXSJLCMTSA-N 0 0 381.281 4.101 20 5 GIBDRN Cc1c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000126883300 823973468 /nfs/dbraw/zinc/97/34/68/823973468.db2.gz NQMQGWDQOBWGGZ-GFCCVEGCSA-N 0 0 393.875 4.238 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccnc2)nc1OCc1ccccc1 ZINC000462438737 823975810 /nfs/dbraw/zinc/97/58/10/823975810.db2.gz VHFUUUAZAJSKKS-SFHVURJKSA-N 0 0 376.416 4.305 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3cnn(C(C)C)c3c2)c1 ZINC000170817986 823979203 /nfs/dbraw/zinc/97/92/03/823979203.db2.gz CHJZWQPTMWFGGP-UHFFFAOYSA-N 0 0 382.420 4.241 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000170829734 823983285 /nfs/dbraw/zinc/98/32/85/823983285.db2.gz PLEPTUWLSGEHCI-UHFFFAOYSA-N 0 0 381.797 4.275 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192427557 823988922 /nfs/dbraw/zinc/98/89/22/823988922.db2.gz UTPFAWSTKJISEQ-UHFFFAOYSA-N 0 0 389.839 4.072 20 5 GIBDRN Cn1cnnc1-c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc1 ZINC000126964522 823991020 /nfs/dbraw/zinc/99/10/20/823991020.db2.gz IGZQCDKLTJHJTC-UHFFFAOYSA-N 0 0 392.444 4.126 20 5 GIBDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000575776262 823991834 /nfs/dbraw/zinc/99/18/34/823991834.db2.gz FDSSNDXXIGXWGM-OAHLLOKOSA-N 0 0 395.440 4.475 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N(C)C)cc1SC ZINC000170858630 823992757 /nfs/dbraw/zinc/99/27/57/823992757.db2.gz OIICZEHBDYBTAR-UHFFFAOYSA-N 0 0 395.868 4.297 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)s1 ZINC000192451898 823996822 /nfs/dbraw/zinc/99/68/22/823996822.db2.gz QNIARTCAQSLSJS-NSHDSACASA-N 0 0 378.212 4.075 20 5 GIBDRN COc1cccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2cc(F)ccc2OC)c1 ZINC000192474554 824004918 /nfs/dbraw/zinc/00/49/18/824004918.db2.gz XULAPYXUAMYNDD-QGZVFWFLSA-N 0 0 389.408 4.409 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000170921828 824005557 /nfs/dbraw/zinc/00/55/57/824005557.db2.gz XJDSFRIYASDJPP-OAQYLSRUSA-N 0 0 386.411 4.299 20 5 GIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000192524955 824019449 /nfs/dbraw/zinc/01/94/49/824019449.db2.gz BAYGWTDUZZTBLA-OAHLLOKOSA-N 0 0 398.463 4.268 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3cccc(C(F)(F)F)c3)no2)n1 ZINC000575887893 824020638 /nfs/dbraw/zinc/02/06/38/824020638.db2.gz QYWANKCHBOMDND-UHFFFAOYSA-N 0 0 395.341 4.206 20 5 GIBDRN CC(=O)Nc1sc(NC(=O)c2c(C)cccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000192535004 824022875 /nfs/dbraw/zinc/02/28/75/824022875.db2.gz HNAYTEHEHMSIDI-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN CC(C)(NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nccs1 ZINC000192558837 824031028 /nfs/dbraw/zinc/03/10/28/824031028.db2.gz IXBRRJMEPWIFHW-UHFFFAOYSA-N 0 0 397.456 4.295 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccc(C)s1)C(C)C ZINC000171017434 824038638 /nfs/dbraw/zinc/03/86/38/824038638.db2.gz SKUIJKLDSYYTSW-UHFFFAOYSA-N 0 0 377.466 4.094 20 5 GIBDRN Cc1ccc(-c2noc(C3(c4ccc(F)cc4)CCOCC3)n2)cc1[N+](=O)[O-] ZINC000575962096 824039531 /nfs/dbraw/zinc/03/95/31/824039531.db2.gz YPGBEYLAISVFAZ-UHFFFAOYSA-N 0 0 383.379 4.189 20 5 GIBDRN Cc1sc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000171041364 824044886 /nfs/dbraw/zinc/04/48/86/824044886.db2.gz ZNLYLYJNQSFGDY-UHFFFAOYSA-N 0 0 381.457 4.245 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171043605 824045667 /nfs/dbraw/zinc/04/56/67/824045667.db2.gz IHNWSELIYHWJQZ-UHFFFAOYSA-N 0 0 393.418 4.322 20 5 GIBDRN Cc1nc(CN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccc(F)cc2)cs1 ZINC000192625935 824049175 /nfs/dbraw/zinc/04/91/75/824049175.db2.gz IPJPTSCBPFKAGD-UHFFFAOYSA-N 0 0 377.422 4.407 20 5 GIBDRN Cc1cc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])ccc1Br ZINC000014735537 212104623 /nfs/dbraw/zinc/10/46/23/212104623.db2.gz HXVAVAUHSDHSNN-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc([N+](=O)[O-])cc1 ZINC000005146667 220836324 /nfs/dbraw/zinc/83/63/24/220836324.db2.gz ASXOKYKDZQDXJE-UHFFFAOYSA-N 0 0 378.413 4.152 20 5 GIBDRN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000005617948 220886466 /nfs/dbraw/zinc/88/64/66/220886466.db2.gz MVRMLMLVQPCMCL-UHFFFAOYSA-N 0 0 398.400 4.496 20 5 GIBDRN COc1cc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000007366399 220994732 /nfs/dbraw/zinc/99/47/32/220994732.db2.gz LHIGDXVDBFAPCI-UHFFFAOYSA-N 0 0 386.326 4.252 20 5 GIBDRN Cc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000021819443 221543665 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Cc1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000055804238 823046286 /nfs/dbraw/zinc/04/62/86/823046286.db2.gz SBFRIIDXLIVMBP-UHFFFAOYSA-N 0 0 389.839 4.195 20 5 GIBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCOc2cc(Br)c(Cl)cc21 ZINC000175815226 823046429 /nfs/dbraw/zinc/04/64/29/823046429.db2.gz OTHBMDJZNRULKQ-UHFFFAOYSA-N 0 0 397.612 4.050 20 5 GIBDRN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000120737072 823054780 /nfs/dbraw/zinc/05/47/80/823054780.db2.gz KPUGIYLMDJBQAH-HZPDHXFCSA-N 0 0 396.340 4.429 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000055860627 823055184 /nfs/dbraw/zinc/05/51/84/823055184.db2.gz BLRAHYOSKWNGGD-KRWDZBQOSA-N 0 0 389.249 4.264 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000055868825 823057040 /nfs/dbraw/zinc/05/70/40/823057040.db2.gz ZGBLUNQQDHXNNE-HNNXBMFYSA-N 0 0 381.354 4.207 20 5 GIBDRN C[C@H](NC(=O)NCc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458622617 823065261 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GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccc(Cl)cc3)C3CC3)o2)cc1 ZINC000120965336 823094219 /nfs/dbraw/zinc/09/42/19/823094219.db2.gz BNDGWCQARKQYCT-UHFFFAOYSA-N 0 0 384.823 4.463 20 5 GIBDRN Cn1ccc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc21 ZINC000176027971 823099317 /nfs/dbraw/zinc/09/93/17/823099317.db2.gz DDRFVEKEGBTMDC-UHFFFAOYSA-N 0 0 388.221 4.030 20 5 GIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000458894507 823102992 /nfs/dbraw/zinc/10/29/92/823102992.db2.gz YVFWAXHVKHQWSO-LRDDRELGSA-N 0 0 388.493 4.394 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000120999797 823100272 /nfs/dbraw/zinc/10/02/72/823100272.db2.gz NMPXQWWUSRSBCX-UZLBHIALSA-N 0 0 397.475 4.046 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000458896877 823103245 /nfs/dbraw/zinc/10/32/45/823103245.db2.gz CRVQWGHVLVEOPM-KRWDZBQOSA-N 0 0 375.375 4.092 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000056223949 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823138718 /nfs/dbraw/zinc/13/87/18/823138718.db2.gz WHIQVLLZTIJMKY-CQSZACIVSA-N 0 0 388.836 4.005 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000459197142 823142200 /nfs/dbraw/zinc/14/22/00/823142200.db2.gz QWYQYKVTVYHQCN-CYBMUJFWSA-N 0 0 388.493 4.221 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000056398042 823142775 /nfs/dbraw/zinc/14/27/75/823142775.db2.gz XHNRZCFRLOHAPH-ZIAGYGMSSA-N 0 0 387.436 4.124 20 5 GIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2c(s1)CCC2 ZINC000459199678 823142895 /nfs/dbraw/zinc/14/28/95/823142895.db2.gz SLKZVORTWPAUSK-QMMMGPOBSA-N 0 0 398.391 4.024 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000187847170 823145504 /nfs/dbraw/zinc/14/55/04/823145504.db2.gz CWPUQOKOAMDYKJ-CQSZACIVSA-N 0 0 394.431 4.183 20 5 GIBDRN C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000056381147 823140581 /nfs/dbraw/zinc/14/05/81/823140581.db2.gz 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5 GIBDRN COC(=O)c1ccc(OCC(=O)c2sc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000057546333 823308919 /nfs/dbraw/zinc/30/89/19/823308919.db2.gz WTNGGHNZGLEYIJ-UHFFFAOYSA-N 0 0 385.397 4.166 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000011172501 818058797 /nfs/dbraw/zinc/05/87/97/818058797.db2.gz KECUINCYOLDJHY-LLVKDONJSA-N 0 0 393.237 4.247 20 5 GIBDRN COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000011182999 818059714 /nfs/dbraw/zinc/05/97/14/818059714.db2.gz YUYHSAHPQGGKMY-UHFFFAOYSA-N 0 0 390.395 4.016 20 5 GIBDRN CCOc1ccc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000011197492 818060796 /nfs/dbraw/zinc/06/07/96/818060796.db2.gz XYCXHJGSZKNTJE-UHFFFAOYSA-N 0 0 382.460 4.479 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011203242 818061645 /nfs/dbraw/zinc/06/16/45/818061645.db2.gz DSBVAQNBVNXSAX-LFYBBSHMSA-N 0 0 377.356 4.092 20 5 GIBDRN Cc1cccc(OCCOC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000011276997 818067984 /nfs/dbraw/zinc/06/79/84/818067984.db2.gz MCEVGQGKIBUYGD-UHFFFAOYSA-N 0 0 387.435 4.085 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Cl)cc1Cl ZINC000011310685 818070522 /nfs/dbraw/zinc/07/05/22/818070522.db2.gz MEICELOTUXTSPP-UHFFFAOYSA-N 0 0 397.214 4.130 20 5 GIBDRN CCOc1ccc(C(=O)OCc2cc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] ZINC000011519116 818091608 /nfs/dbraw/zinc/09/16/08/818091608.db2.gz FVYKWLLQVQGGBB-UHFFFAOYSA-N 0 0 398.371 4.014 20 5 GIBDRN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000011594552 818098117 /nfs/dbraw/zinc/09/81/17/818098117.db2.gz XIGRFVIVXRAPGB-LBPRGKRZSA-N 0 0 392.253 4.037 20 5 GIBDRN Cc1c(C(=O)N(Cc2cccc(F)c2)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122143323 823312345 /nfs/dbraw/zinc/31/23/45/823312345.db2.gz NEFOBAMZSVAOSJ-UHFFFAOYSA-N 0 0 387.367 4.064 20 5 GIBDRN C[C@H]1CN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000122147242 823312769 /nfs/dbraw/zinc/31/27/69/823312769.db2.gz LRNYIHOHPUINHQ-STQMWFEESA-N 0 0 389.839 4.114 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000011762592 818117158 /nfs/dbraw/zinc/11/71/58/818117158.db2.gz JJUKAZCTNKIUHR-ZIAGYGMSSA-N 0 0 380.322 4.364 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000460199790 823314362 /nfs/dbraw/zinc/31/43/62/823314362.db2.gz FVGZWTODFXVJKP-NRFANRHFSA-N 0 0 378.403 4.377 20 5 GIBDRN Cc1noc(C)c1COc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000012129761 818143721 /nfs/dbraw/zinc/14/37/21/818143721.db2.gz ISUVHDZERHNSQB-UHFFFAOYSA-N 0 0 382.372 4.136 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC000460201980 823315592 /nfs/dbraw/zinc/31/55/92/823315592.db2.gz CYSDBKSPJALPBZ-GOSISDBHSA-N 0 0 381.411 4.354 20 5 GIBDRN O=C(CSc1nnc(-c2ccc(Cl)s2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000012249038 818148805 /nfs/dbraw/zinc/14/88/05/818148805.db2.gz PMKGKLBGTLQCHK-UHFFFAOYSA-N 0 0 396.837 4.091 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1sc(C)nc1C ZINC000460203698 823315961 /nfs/dbraw/zinc/31/59/61/823315961.db2.gz DINDRBMMYCERQC-LBPRGKRZSA-N 0 0 386.481 4.144 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC000460204698 823316288 /nfs/dbraw/zinc/31/62/88/823316288.db2.gz MXIQATBKULOOHI-SFHVURJKSA-N 0 0 377.448 4.085 20 5 GIBDRN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] ZINC000012459952 818161852 /nfs/dbraw/zinc/16/18/52/818161852.db2.gz NRARXDKNJGMHMH-UHFFFAOYSA-N 0 0 397.818 4.019 20 5 GIBDRN Cc1c(C(=O)N(Cc2ccco2)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122174735 823317278 /nfs/dbraw/zinc/31/72/78/823317278.db2.gz KGWIIINNQAZMQU-UHFFFAOYSA-N 0 0 387.392 4.298 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC000460210299 823318106 /nfs/dbraw/zinc/31/81/06/823318106.db2.gz MRZKCGZGUPSOCQ-UHFFFAOYSA-N 0 0 383.374 4.042 20 5 GIBDRN O=C(NCc1ccccc1OC(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000012826414 818184854 /nfs/dbraw/zinc/18/48/54/818184854.db2.gz PSPZGMBKRVUSSG-UHFFFAOYSA-N 0 0 378.356 4.341 20 5 GIBDRN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000572317046 823318868 /nfs/dbraw/zinc/31/88/68/823318868.db2.gz JVIPVYWSJQENSB-ZDUSSCGKSA-N 0 0 375.388 4.253 20 5 GIBDRN Cc1cccc(CCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000012938063 818195863 /nfs/dbraw/zinc/19/58/63/818195863.db2.gz JRKWMGOZALSQHZ-ZDUSSCGKSA-N 0 0 390.823 4.060 20 5 GIBDRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000572318649 823319149 /nfs/dbraw/zinc/31/91/49/823319149.db2.gz RIUCOUPJHOSZAO-CYBMUJFWSA-N 0 0 382.794 4.206 20 5 GIBDRN CC(C)Oc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000013924220 818216333 /nfs/dbraw/zinc/21/63/33/818216333.db2.gz QISDQFPQGXXVJW-SXGWCWSVSA-N 0 0 386.791 4.380 20 5 GIBDRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013999490 818217163 /nfs/dbraw/zinc/21/71/63/818217163.db2.gz ACFVAOIXQHAIRA-OAHLLOKOSA-N 0 0 389.411 4.338 20 5 GIBDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000409838559 823321624 /nfs/dbraw/zinc/32/16/24/823321624.db2.gz YLEXBSRTOZGBRR-UONOGXRCSA-N 0 0 395.242 4.330 20 5 GIBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000014207709 818228131 /nfs/dbraw/zinc/22/81/31/818228131.db2.gz BHSKAQVXVJFAKT-BDAKNGLRSA-N 0 0 388.218 4.265 20 5 GIBDRN CCc1noc(C)c1-c1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000572328545 823322043 /nfs/dbraw/zinc/32/20/43/823322043.db2.gz RWUCBWIDZZBSIL-UHFFFAOYSA-N 0 0 397.435 4.407 20 5 GIBDRN O=C(NCCc1ccc(Br)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000014418517 818243829 /nfs/dbraw/zinc/24/38/29/818243829.db2.gz NMAYTAMEUAPGCL-UHFFFAOYSA-N 0 0 389.658 4.045 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000014491965 818247338 /nfs/dbraw/zinc/24/73/38/818247338.db2.gz SOHGQIZRGWOVDA-UHFFFAOYSA-N 0 0 396.447 4.042 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000014586123 818252559 /nfs/dbraw/zinc/25/25/59/818252559.db2.gz IVDCGGCGCLBQQH-UHFFFAOYSA-N 0 0 375.356 4.178 20 5 GIBDRN C[C@]12CC3CC(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000014667326 818257558 /nfs/dbraw/zinc/25/75/58/818257558.db2.gz KMZVQDRWZZHJEI-SVIALIIXSA-N 0 0 397.519 4.240 20 5 GIBDRN COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC ZINC000014712067 818260939 /nfs/dbraw/zinc/26/09/39/818260939.db2.gz KPUSUNVXNWVHPL-UHFFFAOYSA-N 0 0 399.447 4.163 20 5 GIBDRN CCO[C@H](C)c1nc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000409846182 823323860 /nfs/dbraw/zinc/32/38/60/823323860.db2.gz YELGNGXNVPYKDS-GFCCVEGCSA-N 0 0 395.506 4.411 20 5 GIBDRN Cc1ccc(SCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000014803598 818268151 /nfs/dbraw/zinc/26/81/51/818268151.db2.gz XRRLKDQTUCCBDU-UHFFFAOYSA-N 0 0 385.489 4.026 20 5 GIBDRN CCn1c2ccccc2nc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000014809587 818269416 /nfs/dbraw/zinc/26/94/16/818269416.db2.gz UJRPWUZWMLHZAJ-UHFFFAOYSA-N 0 0 396.450 4.163 20 5 GIBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(Oc2ccccc2)c1 ZINC000014857777 818272407 /nfs/dbraw/zinc/27/24/07/818272407.db2.gz FQQKMKSJPJCQFY-UHFFFAOYSA-N 0 0 388.383 4.376 20 5 GIBDRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000014909884 818276606 /nfs/dbraw/zinc/27/66/06/818276606.db2.gz YMUDAJPBAKCFGQ-LBPRGKRZSA-N 0 0 377.238 4.108 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)cc([N+](=O)[O-])c1 ZINC000122244962 823326915 /nfs/dbraw/zinc/32/69/15/823326915.db2.gz FSVFBRHMLMFLSS-UHFFFAOYSA-N 0 0 390.399 4.111 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC000460239225 823327516 /nfs/dbraw/zinc/32/75/16/823327516.db2.gz ZDXPZYVAVHIWGL-UHFFFAOYSA-N 0 0 383.839 4.089 20 5 GIBDRN O=[N+]([O-])c1cc(Br)ccc1SCc1nnc(-c2ccco2)o1 ZINC000176932722 823327632 /nfs/dbraw/zinc/32/76/32/823327632.db2.gz IREIGAWKOZMQGF-UHFFFAOYSA-N 0 0 382.195 4.293 20 5 GIBDRN O=C(Nc1ccccc1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015349790 818315415 /nfs/dbraw/zinc/31/54/15/818315415.db2.gz XSNVMPSEKKIYCC-UHFFFAOYSA-N 0 0 376.210 4.184 20 5 GIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(F)ccc2F)c(-c2cccs2)c1 ZINC000015359202 818316810 /nfs/dbraw/zinc/31/68/10/818316810.db2.gz PIMKTAGYAMTZPA-UHFFFAOYSA-N 0 0 397.380 4.369 20 5 GIBDRN Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] ZINC000015379769 818320060 /nfs/dbraw/zinc/32/00/60/818320060.db2.gz LFWGGPIWGNEJNV-UHFFFAOYSA-N 0 0 391.431 4.140 20 5 GIBDRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000015409224 818322167 /nfs/dbraw/zinc/32/21/67/818322167.db2.gz CANSOSAYOAMGMV-UHFFFAOYSA-N 0 0 395.415 4.268 20 5 GIBDRN CSc1ccc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1[N+](=O)[O-] ZINC000015635384 818351253 /nfs/dbraw/zinc/35/12/53/818351253.db2.gz JHNWMSWMVVBXAL-VIFPVBQESA-N 0 0 375.377 4.365 20 5 GIBDRN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000015633124 818351303 /nfs/dbraw/zinc/35/13/03/818351303.db2.gz YLSBVHMPAZNQFX-UHFFFAOYSA-N 0 0 375.356 4.178 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000015650782 818354905 /nfs/dbraw/zinc/35/49/05/818354905.db2.gz OHCNDQQCPXTUQH-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(OC)c1 ZINC000015654500 818356081 /nfs/dbraw/zinc/35/60/81/818356081.db2.gz GPEUEQOMSUJKKH-UHFFFAOYSA-N 0 0 399.447 4.101 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000015696878 818359471 /nfs/dbraw/zinc/35/94/71/818359471.db2.gz CHCNRLILFNDPRT-VIFPVBQESA-N 0 0 385.203 4.316 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccc(OC(F)F)c1 ZINC000409868610 823330904 /nfs/dbraw/zinc/33/09/04/823330904.db2.gz NGDKBDLMTLTEKR-UHFFFAOYSA-N 0 0 378.375 4.176 20 5 GIBDRN CCNc1ccc(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000015827464 818373812 /nfs/dbraw/zinc/37/38/12/818373812.db2.gz HRDPSHKYFRQYCR-SFHVURJKSA-N 0 0 399.447 4.021 20 5 GIBDRN CCNc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000015829184 818374142 /nfs/dbraw/zinc/37/41/42/818374142.db2.gz QKXPQTHJCKOBEJ-GOSISDBHSA-N 0 0 399.447 4.021 20 5 GIBDRN COC(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(C(F)(F)F)c1 ZINC000122317914 823337289 /nfs/dbraw/zinc/33/72/89/823337289.db2.gz WVGVZSYFHJMASL-UHFFFAOYSA-N 0 0 397.309 4.353 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000015940957 818379600 /nfs/dbraw/zinc/37/96/00/818379600.db2.gz FRBRYMPMIHCOQT-UHFFFAOYSA-N 0 0 379.441 4.311 20 5 GIBDRN O=C(NCc1ccccc1F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000015976841 818380268 /nfs/dbraw/zinc/38/02/68/818380268.db2.gz YXUZKQABAIPXLB-UHFFFAOYSA-N 0 0 379.391 4.276 20 5 GIBDRN CCCCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000409875313 823333041 /nfs/dbraw/zinc/33/30/41/823333041.db2.gz HQJVIUKZKJYVSJ-GFCCVEGCSA-N 0 0 378.450 4.335 20 5 GIBDRN CCOC(=O)c1sc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1C ZINC000016003266 818383971 /nfs/dbraw/zinc/38/39/71/818383971.db2.gz YLMADBRNGKEARA-UHFFFAOYSA-N 0 0 380.447 4.116 20 5 GIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000016144704 818397864 /nfs/dbraw/zinc/39/78/64/818397864.db2.gz NPVRRKHMFTUUSW-INIZCTEOSA-N 0 0 396.399 4.154 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 ZINC000016196158 818404814 /nfs/dbraw/zinc/40/48/14/818404814.db2.gz RPRJMOCSORQHRI-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000016196347 818404862 /nfs/dbraw/zinc/40/48/62/818404862.db2.gz VYBZSLAPZADDRR-JTQLQIEISA-N 0 0 379.821 4.398 20 5 GIBDRN Cc1nc(COc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cs1 ZINC000016199980 818406198 /nfs/dbraw/zinc/40/61/98/818406198.db2.gz LUYOEVZFEIXRBH-UHFFFAOYSA-N 0 0 383.429 4.499 20 5 GIBDRN COc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000016298618 818417678 /nfs/dbraw/zinc/41/76/78/818417678.db2.gz NQUXNEULFSVIMH-CYBMUJFWSA-N 0 0 378.837 4.224 20 5 GIBDRN COc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000016458712 818445035 /nfs/dbraw/zinc/44/50/35/818445035.db2.gz CBMSOQFUWIFBCA-UHFFFAOYSA-N 0 0 392.411 4.212 20 5 GIBDRN C[C@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016537734 818452550 /nfs/dbraw/zinc/45/25/50/818452550.db2.gz QIRMCASQTVVLCY-ZDUSSCGKSA-N 0 0 380.356 4.039 20 5 GIBDRN C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000016537713 818452641 /nfs/dbraw/zinc/45/26/41/818452641.db2.gz MUCGRSJVKUAEKN-GFCCVEGCSA-N 0 0 398.346 4.178 20 5 GIBDRN O=C(CSc1ccccc1Br)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016549074 818453818 /nfs/dbraw/zinc/45/38/18/818453818.db2.gz VPLDXHMYZPBOLH-UHFFFAOYSA-N 0 0 393.262 4.039 20 5 GIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1Cl ZINC000016590607 818456960 /nfs/dbraw/zinc/45/69/60/818456960.db2.gz AISVFBAUWAWGDY-LLVKDONJSA-N 0 0 382.247 4.361 20 5 GIBDRN Cc1nn(-c2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)c(C)c1Cl ZINC000057835935 823339648 /nfs/dbraw/zinc/33/96/48/823339648.db2.gz XAMBCGDDBHRZSI-UHFFFAOYSA-N 0 0 396.834 4.254 20 5 GIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000409903220 823340296 /nfs/dbraw/zinc/34/02/96/823340296.db2.gz ZKVWCCVCJWTONP-GFCCVEGCSA-N 0 0 381.259 4.439 20 5 GIBDRN Cc1cccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000016965338 818492999 /nfs/dbraw/zinc/49/29/99/818492999.db2.gz ZZOCRZZFKMUVGN-UHFFFAOYSA-N 0 0 397.475 4.045 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)NCc3ccncc3)cc2[N+](=O)[O-])cc1 ZINC000017168012 818502646 /nfs/dbraw/zinc/50/26/46/818502646.db2.gz FKMYVXPOZRUDSD-UHFFFAOYSA-N 0 0 379.441 4.379 20 5 GIBDRN Cc1c(C(=O)NCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017298082 818505938 /nfs/dbraw/zinc/50/59/38/818505938.db2.gz WPXKLPPPMBWOTP-UHFFFAOYSA-N 0 0 384.175 4.048 20 5 GIBDRN O=C(Nc1cccc(C2SCCS2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017368940 818513494 /nfs/dbraw/zinc/51/34/94/818513494.db2.gz SRMYFAQPVPINLQ-UHFFFAOYSA-N 0 0 391.430 4.234 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000057874085 823343735 /nfs/dbraw/zinc/34/37/35/823343735.db2.gz YGOIFTCUAXPFAG-LLVKDONJSA-N 0 0 382.247 4.499 20 5 GIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017916986 818533448 /nfs/dbraw/zinc/53/34/48/818533448.db2.gz BFJXLNYICWNBTA-UHFFFAOYSA-N 0 0 384.175 4.082 20 5 GIBDRN CC(C)C(=O)Nc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000176995449 823345592 /nfs/dbraw/zinc/34/55/92/823345592.db2.gz DUMRGJRZUDJOCS-UHFFFAOYSA-N 0 0 384.436 4.246 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)c1sc(C)nc1C ZINC000460302403 823345800 /nfs/dbraw/zinc/34/58/00/823345800.db2.gz FAHNKBQRMYZKMC-GFCCVEGCSA-N 0 0 386.481 4.144 20 5 GIBDRN C[C@@H](OC(=O)c1cc2cc(Cl)ccc2o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000018751168 818576390 /nfs/dbraw/zinc/57/63/90/818576390.db2.gz QDXSZTVVSVQYPY-SNVBAGLBSA-N 0 0 388.763 4.178 20 5 GIBDRN CCCC(=O)Nc1ccc(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000018777808 818577812 /nfs/dbraw/zinc/57/78/12/818577812.db2.gz FJMLNPUQFCMEQH-UHFFFAOYSA-N 0 0 376.796 4.249 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F ZINC000057909512 823347562 /nfs/dbraw/zinc/34/75/62/823347562.db2.gz RYSJJPYNBLSSNB-RYUDHWBXSA-N 0 0 378.425 4.101 20 5 GIBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2o1 ZINC000122388651 823347644 /nfs/dbraw/zinc/34/76/44/823347644.db2.gz OJIILDXLSVKQND-UHFFFAOYSA-N 0 0 380.385 4.136 20 5 GIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OCCOc1ccccc1 ZINC000019163328 818585961 /nfs/dbraw/zinc/58/59/61/818585961.db2.gz JQGXZEKWUMUWHA-UHFFFAOYSA-N 0 0 396.374 4.444 20 5 GIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC000460309552 823348302 /nfs/dbraw/zinc/34/83/02/823348302.db2.gz UHOUUUUZQMJBAZ-SFHVURJKSA-N 0 0 381.411 4.354 20 5 GIBDRN CS(=O)(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000020669167 818629207 /nfs/dbraw/zinc/62/92/07/818629207.db2.gz ZZGOAGZYWNHVLS-QGZVFWFLSA-N 0 0 380.853 4.215 20 5 GIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409959276 823354130 /nfs/dbraw/zinc/35/41/30/823354130.db2.gz LTTBQSBOBMBAAI-UHFFFAOYSA-N 0 0 391.830 4.260 20 5 GIBDRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000122440783 823354685 /nfs/dbraw/zinc/35/46/85/823354685.db2.gz AGDPYUZIBKTZJO-MGPUTAFESA-N 0 0 395.459 4.067 20 5 GIBDRN CC(=O)Nc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000122407104 823350163 /nfs/dbraw/zinc/35/01/63/823350163.db2.gz RGYMDCSMNQMTKB-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN COc1cccc(CN(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000021333296 818677045 /nfs/dbraw/zinc/67/70/45/818677045.db2.gz NKMJZQWWKZJETF-MRXNPFEDSA-N 0 0 397.475 4.112 20 5 GIBDRN COc1ccc2c(c1)C1(CC1)CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 ZINC000572537173 823356911 /nfs/dbraw/zinc/35/69/11/823356911.db2.gz BLLZIFSGMRQESI-UHFFFAOYSA-N 0 0 376.359 4.257 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000021572779 818706746 /nfs/dbraw/zinc/70/67/46/818706746.db2.gz HEPRQMPMIAMEDE-SNVBAGLBSA-N 0 0 397.200 4.211 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)cc1OC ZINC000409967374 823357363 /nfs/dbraw/zinc/35/73/63/823357363.db2.gz XXNJGCDTQPWHJO-UHFFFAOYSA-N 0 0 396.802 4.067 20 5 GIBDRN CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000021605431 818712871 /nfs/dbraw/zinc/71/28/71/818712871.db2.gz VMKZDPVTUHGZJH-CQSZACIVSA-N 0 0 378.469 4.083 20 5 GIBDRN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000021615961 818714139 /nfs/dbraw/zinc/71/41/39/818714139.db2.gz VPSSTXWQWHFZBF-VXGBXAGGSA-N 0 0 376.434 4.354 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000021629944 818716042 /nfs/dbraw/zinc/71/60/42/818716042.db2.gz RRUVIHVHZRTMRG-VIFPVBQESA-N 0 0 385.203 4.316 20 5 GIBDRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000021631341 818716716 /nfs/dbraw/zinc/71/67/16/818716716.db2.gz WRGGCMGLKQDVCJ-GFCCVEGCSA-N 0 0 393.237 4.380 20 5 GIBDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000021649106 818719801 /nfs/dbraw/zinc/71/98/01/818719801.db2.gz HVSBWJLWXUFUJV-UHFFFAOYSA-N 0 0 396.472 4.437 20 5 GIBDRN CN(C[C@H]1OCCc2ccccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000572545514 823358179 /nfs/dbraw/zinc/35/81/79/823358179.db2.gz UHRFBLUQDBUZRH-QGZVFWFLSA-N 0 0 377.238 4.108 20 5 GIBDRN CSc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000021678653 818724888 /nfs/dbraw/zinc/72/48/88/818724888.db2.gz VPCIBDONTXCCDC-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN CN(C)C(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000572547341 823358539 /nfs/dbraw/zinc/35/85/39/823358539.db2.gz IJFFSLJTUJCGBP-UHFFFAOYSA-N 0 0 399.781 4.164 20 5 GIBDRN C[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021735124 818731857 /nfs/dbraw/zinc/73/18/57/818731857.db2.gz FOBRTBSEIYZTGD-SNVBAGLBSA-N 0 0 397.214 4.015 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000409976833 823359932 /nfs/dbraw/zinc/35/99/32/823359932.db2.gz CSGASCZNMXTVNH-OAHLLOKOSA-N 0 0 379.416 4.450 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000021902181 818754013 /nfs/dbraw/zinc/75/40/13/818754013.db2.gz UFOGWRNFOQXLIG-NSHDSACASA-N 0 0 377.491 4.440 20 5 GIBDRN Cc1[nH]c2ccccc2c1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460348667 823360508 /nfs/dbraw/zinc/36/05/08/823360508.db2.gz QHOKJPYCWDQLGZ-FQEVSTJZSA-N 0 0 381.457 4.201 20 5 GIBDRN O=C(c1ccccc1OCC1CC1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460348855 823360540 /nfs/dbraw/zinc/36/05/40/823360540.db2.gz MJRFPMFUCZNPIB-FQEVSTJZSA-N 0 0 384.457 4.271 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000021934105 818756804 /nfs/dbraw/zinc/75/68/04/818756804.db2.gz ZEXQTRFJFVSCCS-AWEZNQCLSA-N 0 0 398.459 4.372 20 5 GIBDRN Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] ZINC000022066886 818768910 /nfs/dbraw/zinc/76/89/10/818768910.db2.gz QZBALYPKXOGPET-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN CCCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000022132718 818774720 /nfs/dbraw/zinc/77/47/20/818774720.db2.gz WKZZAXXKBGTIQE-UHFFFAOYSA-N 0 0 376.796 4.457 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nccn3Cc3ccccc3)o2)cc1 ZINC000022133842 818775136 /nfs/dbraw/zinc/77/51/36/818775136.db2.gz BDSOGNHZGGLQRG-UHFFFAOYSA-N 0 0 393.428 4.182 20 5 GIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000022160926 818778094 /nfs/dbraw/zinc/77/80/94/818778094.db2.gz PGCZZFHWTVJHIL-CYBMUJFWSA-N 0 0 388.445 4.118 20 5 GIBDRN COc1cc(Cc2noc(CC3CCC(C(F)(F)F)CC3)n2)ccc1[N+](=O)[O-] ZINC000572569519 823363099 /nfs/dbraw/zinc/36/30/99/823363099.db2.gz JSCXMUZKIUJVBP-UHFFFAOYSA-N 0 0 399.369 4.488 20 5 GIBDRN CC1CCN(Cc2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)CC1 ZINC000022291458 818790648 /nfs/dbraw/zinc/79/06/48/818790648.db2.gz LOWFQFHVXJYDAB-UHFFFAOYSA-N 0 0 394.884 4.189 20 5 GIBDRN CN(Cc1ccccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000022316453 818793823 /nfs/dbraw/zinc/79/38/23/818793823.db2.gz SKDNXQXKWXDACY-UHFFFAOYSA-N 0 0 390.870 4.467 20 5 GIBDRN O=C(CCSc1ccc(F)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460365391 823364791 /nfs/dbraw/zinc/36/47/91/823364791.db2.gz VGYLKCFLYAWQFF-GOSISDBHSA-N 0 0 392.477 4.490 20 5 GIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000022443952 818807098 /nfs/dbraw/zinc/80/70/98/818807098.db2.gz FWNYIVGHHYQVTI-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000022495590 818817763 /nfs/dbraw/zinc/81/77/63/818817763.db2.gz VIUAHKAOWYLOFN-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000022550782 818824162 /nfs/dbraw/zinc/82/41/62/818824162.db2.gz DGMLFPQMBPHCHJ-KADSFNECSA-N 0 0 388.807 4.140 20 5 GIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000022668650 818839436 /nfs/dbraw/zinc/83/94/36/818839436.db2.gz FBQOUYNEWCJIGL-JTQLQIEISA-N 0 0 394.836 4.154 20 5 GIBDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000022668005 818839502 /nfs/dbraw/zinc/83/95/02/818839502.db2.gz IOTUPPKSEHQUPY-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 ZINC000177086908 823367945 /nfs/dbraw/zinc/36/79/45/823367945.db2.gz PLQVIEFDLLSVME-ZDUSSCGKSA-N 0 0 395.419 4.398 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 ZINC000023118365 818900291 /nfs/dbraw/zinc/90/02/91/818900291.db2.gz MDKBSNUNBOHGNE-JTQLQIEISA-N 0 0 381.251 4.477 20 5 GIBDRN O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc2ccccc2c2cccnc12 ZINC000122553362 823371616 /nfs/dbraw/zinc/37/16/16/823371616.db2.gz WAWAYLYLUSZVEU-UHFFFAOYSA-N 0 0 383.455 4.122 20 5 GIBDRN O=C(COc1ccc(OCc2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000023153085 818905182 /nfs/dbraw/zinc/90/51/82/818905182.db2.gz CAADMEDPFXPBDH-UHFFFAOYSA-N 0 0 393.395 4.296 20 5 GIBDRN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000460387150 823372302 /nfs/dbraw/zinc/37/23/02/823372302.db2.gz MPGFFSSETJFIHH-IFXJQAMLSA-N 0 0 388.851 4.088 20 5 GIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058273460 823373816 /nfs/dbraw/zinc/37/38/16/823373816.db2.gz SYPSHKYSHIWWFQ-UHFFFAOYSA-N 0 0 380.404 4.231 20 5 GIBDRN COc1ccccc1-n1c(NC(=O)c2csc([N+](=O)[O-])c2)nc2ccccc21 ZINC000460394576 823375071 /nfs/dbraw/zinc/37/50/71/823375071.db2.gz OAYJKVLPOWXXES-UHFFFAOYSA-N 0 0 394.412 4.256 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000023445093 818941797 /nfs/dbraw/zinc/94/17/97/818941797.db2.gz XGOISJQNEOBWKL-GFCCVEGCSA-N 0 0 376.796 4.049 20 5 GIBDRN COc1cccc(Cc2cnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)c1 ZINC000023488013 818945986 /nfs/dbraw/zinc/94/59/86/818945986.db2.gz IHSBYPXZNGSYNJ-UHFFFAOYSA-N 0 0 383.429 4.211 20 5 GIBDRN Cc1ccccc1-n1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccncc1 ZINC000023615037 818965275 /nfs/dbraw/zinc/96/52/75/818965275.db2.gz DUODWJHCGAKMJY-UHFFFAOYSA-N 0 0 390.428 4.092 20 5 GIBDRN CSc1ccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000023635851 818968512 /nfs/dbraw/zinc/96/85/12/818968512.db2.gz VMHBJCQYYBACPE-UHFFFAOYSA-N 0 0 382.235 4.436 20 5 GIBDRN Cc1cccc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000023643682 818969864 /nfs/dbraw/zinc/96/98/64/818969864.db2.gz CKJGZKHTQUCLHE-UHFFFAOYSA-N 0 0 395.484 4.076 20 5 GIBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)sc1C ZINC000024042434 819013414 /nfs/dbraw/zinc/01/34/14/819013414.db2.gz QSFXUWXWMKEKEC-UHFFFAOYSA-N 0 0 385.470 4.494 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br ZINC000024049239 819015680 /nfs/dbraw/zinc/01/56/80/819015680.db2.gz LVUZDGCDJNSCIZ-SNVBAGLBSA-N 0 0 381.251 4.477 20 5 GIBDRN CSc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000024190766 819031439 /nfs/dbraw/zinc/03/14/39/819031439.db2.gz XHIVYLHTQJGOIC-UHFFFAOYSA-N 0 0 385.489 4.189 20 5 GIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OC ZINC000058347892 823381069 /nfs/dbraw/zinc/38/10/69/823381069.db2.gz VDKUHLATGABCFG-CYBMUJFWSA-N 0 0 397.431 4.365 20 5 GIBDRN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)NCc1ccccc1F ZINC000024221598 819036479 /nfs/dbraw/zinc/03/64/79/819036479.db2.gz PFQBPTKLFGOASW-UHFFFAOYSA-N 0 0 394.406 4.206 20 5 GIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024392647 819054340 /nfs/dbraw/zinc/05/43/40/819054340.db2.gz ODFGSBAFCPGFIO-FQEVSTJZSA-N 0 0 384.432 4.126 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000024465441 819060030 /nfs/dbraw/zinc/06/00/30/819060030.db2.gz JNXFWPUJKXHCLN-IBGZPJMESA-N 0 0 379.441 4.231 20 5 GIBDRN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000058386140 823384876 /nfs/dbraw/zinc/38/48/76/823384876.db2.gz RZSNWRANNFPKHV-CYBMUJFWSA-N 0 0 382.423 4.049 20 5 GIBDRN CC1(c2ccccc2)CC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000410079521 823385872 /nfs/dbraw/zinc/38/58/72/823385872.db2.gz GRJPFTISOGXBNB-UHFFFAOYSA-N 0 0 376.359 4.046 20 5 GIBDRN C[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000572706363 823386486 /nfs/dbraw/zinc/38/64/86/823386486.db2.gz KKHCCXAZWPUHPQ-MXWKQRLJSA-N 0 0 387.299 4.460 20 5 GIBDRN O=C(NCc1cccc(Br)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058414363 823387656 /nfs/dbraw/zinc/38/76/56/823387656.db2.gz SPKXBHCKWLVYNZ-UHFFFAOYSA-N 0 0 384.617 4.332 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2noc(COc3cc(F)ccc3Br)n2)c1 ZINC000122652546 823388440 /nfs/dbraw/zinc/38/84/40/823388440.db2.gz LFMLNLVWVRQSMD-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000460442725 823390851 /nfs/dbraw/zinc/39/08/51/823390851.db2.gz HIVLRYVWDLLMIY-GFCCVEGCSA-N 0 0 389.839 4.020 20 5 GIBDRN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000460452568 823394164 /nfs/dbraw/zinc/39/41/64/823394164.db2.gz QYQHSZPKDAOPKA-ZDUSSCGKSA-N 0 0 376.840 4.110 20 5 GIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058456440 823394583 /nfs/dbraw/zinc/39/45/83/823394583.db2.gz VGVNRNFHCGQLPX-UHFFFAOYSA-N 0 0 388.383 4.302 20 5 GIBDRN O=C(CSCC1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000058487029 823398775 /nfs/dbraw/zinc/39/87/75/823398775.db2.gz LIMNDMSBAKAZQE-UHFFFAOYSA-N 0 0 380.466 4.008 20 5 GIBDRN O=C(NCc1ccccc1F)c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000177205709 823398856 /nfs/dbraw/zinc/39/88/56/823398856.db2.gz ZETPNGYLNIODNA-UHFFFAOYSA-N 0 0 379.391 4.276 20 5 GIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cn2)n1 ZINC000460463482 823398337 /nfs/dbraw/zinc/39/83/37/823398337.db2.gz SRLIOOIGKHOQBN-UHFFFAOYSA-N 0 0 385.811 4.006 20 5 GIBDRN O=C(CCCc1ncc(-c2ccccc2)o1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122738704 823403545 /nfs/dbraw/zinc/40/35/45/823403545.db2.gz LZDHKQSUJFXDLX-UHFFFAOYSA-N 0 0 391.387 4.088 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000460476371 823401746 /nfs/dbraw/zinc/40/17/46/823401746.db2.gz OSIFZKMHJKBKIJ-YSIASYRMSA-N 0 0 396.491 4.155 20 5 GIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000460476374 823401874 /nfs/dbraw/zinc/40/18/74/823401874.db2.gz OSIFZKMHJKBKIJ-YZGWKJHDSA-N 0 0 396.491 4.155 20 5 GIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000058516939 823402932 /nfs/dbraw/zinc/40/29/32/823402932.db2.gz DFBGOKXMQSKBAW-MRXNPFEDSA-N 0 0 377.347 4.395 20 5 GIBDRN O=C(CCCCc1nc2ccccc2s1)NCCc1ccccc1[N+](=O)[O-] ZINC000460485025 823404767 /nfs/dbraw/zinc/40/47/67/823404767.db2.gz CHIYFXBKDTWODB-UHFFFAOYSA-N 0 0 383.473 4.276 20 5 GIBDRN CC(C)OCc1c2ccccc2oc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460486405 823405137 /nfs/dbraw/zinc/40/51/37/823405137.db2.gz CFQMQWKZAQFHQR-UHFFFAOYSA-N 0 0 382.416 4.239 20 5 GIBDRN NC(=O)c1ccc(N2CCC(c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000058544811 823407091 /nfs/dbraw/zinc/40/70/91/823407091.db2.gz CGHJYFSQWNKBGH-UHFFFAOYSA-N 0 0 375.428 4.231 20 5 GIBDRN CC(C)CCSc1ccc(C(=O)N2CCOc3ncccc32)cc1[N+](=O)[O-] ZINC000177242920 823408414 /nfs/dbraw/zinc/40/84/14/823408414.db2.gz JIHQZZLVMIQFNE-UHFFFAOYSA-N 0 0 387.461 4.167 20 5 GIBDRN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460505111 823411021 /nfs/dbraw/zinc/41/10/21/823411021.db2.gz RYWNEUADIRJYCQ-UHFFFAOYSA-N 0 0 385.807 4.184 20 5 GIBDRN Cc1c(Cl)cccc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000122780371 823411178 /nfs/dbraw/zinc/41/11/78/823411178.db2.gz DPGUXMGHLNLIPY-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000460500314 823409189 /nfs/dbraw/zinc/40/91/89/823409189.db2.gz QKDFZXZAELMGEY-GJZGRUSLSA-N 0 0 378.350 4.076 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000410191141 823414885 /nfs/dbraw/zinc/41/48/85/823414885.db2.gz LOSSKZFKVXSJJP-SNVBAGLBSA-N 0 0 381.215 4.258 20 5 GIBDRN Cc1ccc(CC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000460520941 823417467 /nfs/dbraw/zinc/41/74/67/823417467.db2.gz RIHVZCUSDAJONZ-YPMHNXCESA-N 0 0 380.828 4.054 20 5 GIBDRN CCCc1nc(C)c(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000572917333 823419421 /nfs/dbraw/zinc/41/94/21/823419421.db2.gz HPIAPTDQXSBODP-UHFFFAOYSA-N 0 0 387.465 4.158 20 5 GIBDRN COc1cc(Cc2noc([C@H](C)Cn3ccc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000572919542 823419756 /nfs/dbraw/zinc/41/97/56/823419756.db2.gz RKTGURPCPGWJHW-CQSZACIVSA-N 0 0 392.415 4.336 20 5 GIBDRN CC(C)Oc1ccccc1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000572921764 823420073 /nfs/dbraw/zinc/42/00/73/823420073.db2.gz YFZZYAKRLXNPJW-UHFFFAOYSA-N 0 0 382.338 4.331 20 5 GIBDRN Cc1cccc(O[C@@H](C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000460552750 823429819 /nfs/dbraw/zinc/42/98/19/823429819.db2.gz LSOIYWUJZWULCL-AWEZNQCLSA-N 0 0 397.456 4.224 20 5 GIBDRN C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000410242386 823431443 /nfs/dbraw/zinc/43/14/43/823431443.db2.gz UQUQMVYHYMPWOG-GFCCVEGCSA-N 0 0 377.238 4.281 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2c3c(cccc31)CC2 ZINC000024719140 819868304 /nfs/dbraw/zinc/86/83/04/819868304.db2.gz CVHGLRDAUMJWDG-CYBMUJFWSA-N 0 0 391.427 4.294 20 5 GIBDRN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000025043062 819914494 /nfs/dbraw/zinc/91/44/94/819914494.db2.gz PSRAQNCMKVIFNN-UHFFFAOYSA-N 0 0 397.475 4.186 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)C1CC1 ZINC000025089681 819925843 /nfs/dbraw/zinc/92/58/43/819925843.db2.gz GNXRCLKBYUZJMC-UHFFFAOYSA-N 0 0 389.249 4.091 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000025099984 819928564 /nfs/dbraw/zinc/92/85/64/819928564.db2.gz SRIBDHGPEPSWBE-CABCVRRESA-N 0 0 378.469 4.337 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1OC ZINC000025099997 819928697 /nfs/dbraw/zinc/92/86/97/819928697.db2.gz NFDBANFIZKOLGT-CABCVRRESA-N 0 0 378.469 4.337 20 5 GIBDRN COc1cc(C(=O)Nc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000025157420 819937106 /nfs/dbraw/zinc/93/71/06/819937106.db2.gz XMFSKDFXYGIIKB-UHFFFAOYSA-N 0 0 389.314 4.005 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000025172304 819938444 /nfs/dbraw/zinc/93/84/44/819938444.db2.gz RGXAYCMUUJKVTH-CYBMUJFWSA-N 0 0 384.461 4.226 20 5 GIBDRN COc1ccc(-c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000460573845 823439786 /nfs/dbraw/zinc/43/97/86/823439786.db2.gz DGRCEHQKJWUDQA-UHFFFAOYSA-N 0 0 376.412 4.129 20 5 GIBDRN CCO[C@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000177340537 823440147 /nfs/dbraw/zinc/44/01/47/823440147.db2.gz UQADLXLLKKZOHJ-MRXNPFEDSA-N 0 0 388.386 4.329 20 5 GIBDRN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000025309006 819959952 /nfs/dbraw/zinc/95/99/52/819959952.db2.gz FCKVUJRDYMUYRL-FQEVSTJZSA-N 0 0 393.399 4.068 20 5 GIBDRN Cn1c(=O)c2cc(-c3ccccc3)sc2nc1Sc1ncccc1[N+](=O)[O-] ZINC000025369980 819971847 /nfs/dbraw/zinc/97/18/47/819971847.db2.gz ILLFXPFAEDBYCL-UHFFFAOYSA-N 0 0 396.453 4.116 20 5 GIBDRN O=C(OCc1csc(-c2ccco2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000025456337 819983944 /nfs/dbraw/zinc/98/39/44/819983944.db2.gz BBXFVGZVLLUOBN-UHFFFAOYSA-N 0 0 399.428 4.269 20 5 GIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000189569081 823446484 /nfs/dbraw/zinc/44/64/84/823446484.db2.gz MBSHCSAGPCFCNG-UHFFFAOYSA-N 0 0 399.472 4.469 20 5 GIBDRN CC1CCN(c2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2[N+](=O)[O-])CC1 ZINC000025561048 820003194 /nfs/dbraw/zinc/00/31/94/820003194.db2.gz NRZRFBVVYQPDCM-UHFFFAOYSA-N 0 0 386.477 4.417 20 5 GIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000460586602 823445083 /nfs/dbraw/zinc/44/50/83/823445083.db2.gz RPHKZTRTJFMAHO-KSSFIOAISA-N 0 0 388.851 4.467 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(-c2ccccc2)cc1F ZINC000025714538 820017563 /nfs/dbraw/zinc/01/75/63/820017563.db2.gz AUZPUQLKNQAHMG-UHFFFAOYSA-N 0 0 395.390 4.460 20 5 GIBDRN CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1 ZINC000025868282 820032543 /nfs/dbraw/zinc/03/25/43/820032543.db2.gz NFMXTMQAFMLGKR-UHFFFAOYSA-N 0 0 378.432 4.123 20 5 GIBDRN COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000025879050 820034705 /nfs/dbraw/zinc/03/47/05/820034705.db2.gz CVKASSGTSMWASK-UHFFFAOYSA-N 0 0 391.383 4.108 20 5 GIBDRN NC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000025883303 820034919 /nfs/dbraw/zinc/03/49/19/820034919.db2.gz YBPAILVDLQDJQO-UHFFFAOYSA-N 0 0 391.387 4.081 20 5 GIBDRN COc1ccc(Cl)cc1CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000025895679 820036080 /nfs/dbraw/zinc/03/60/80/820036080.db2.gz STTAHVOTWDXIGL-UHFFFAOYSA-N 0 0 391.855 4.108 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)cc1Br ZINC000123014801 823448181 /nfs/dbraw/zinc/44/81/81/823448181.db2.gz DNXBAUSKIKBSAR-UHFFFAOYSA-N 0 0 392.184 4.159 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nccn3-c3ccccc3)o2)cc1 ZINC000025963826 820044772 /nfs/dbraw/zinc/04/47/72/820044772.db2.gz ZTVFCMVOYGQCGD-UHFFFAOYSA-N 0 0 379.401 4.123 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000026012991 820049128 /nfs/dbraw/zinc/04/91/28/820049128.db2.gz YCBDJOBZPQXUES-UHFFFAOYSA-N 0 0 380.375 4.494 20 5 GIBDRN Cc1c(CC(=O)Nc2ccc(F)cc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000123049012 823453292 /nfs/dbraw/zinc/45/32/92/823453292.db2.gz LBUIJWTXPHBUQJ-UHFFFAOYSA-N 0 0 386.301 4.165 20 5 GIBDRN COc1cc(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000058771997 823448936 /nfs/dbraw/zinc/44/89/36/823448936.db2.gz AOZGGLBIZWUAAV-UHFFFAOYSA-N 0 0 392.502 4.076 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000026113860 820059405 /nfs/dbraw/zinc/05/94/05/820059405.db2.gz IKJPTQXJKWNWFO-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000026120931 820061330 /nfs/dbraw/zinc/06/13/30/820061330.db2.gz ZDJDNLSDETWHHG-HNNXBMFYSA-N 0 0 392.411 4.091 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000026120924 820061525 /nfs/dbraw/zinc/06/15/25/820061525.db2.gz ZDJDNLSDETWHHG-OAHLLOKOSA-N 0 0 392.411 4.091 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000026122571 820061739 /nfs/dbraw/zinc/06/17/39/820061739.db2.gz HCHXIAQDANOPKC-HXUWFJFHSA-N 0 0 390.395 4.440 20 5 GIBDRN Cc1c(NC(=O)CCN(C)Cc2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000026225523 820071664 /nfs/dbraw/zinc/07/16/64/820071664.db2.gz UVEDWSGHJAPZHN-UHFFFAOYSA-N 0 0 379.819 4.156 20 5 GIBDRN COC(=O)c1ccc(OCc2nc(-c3ccc(C(C)C)cc3)no2)c([N+](=O)[O-])c1 ZINC000026270962 820077481 /nfs/dbraw/zinc/07/74/81/820077481.db2.gz QXOYIXAPRGFBEK-UHFFFAOYSA-N 0 0 397.387 4.134 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000026292877 820078723 /nfs/dbraw/zinc/07/87/23/820078723.db2.gz QVNJAKOUSGNEAX-UHFFFAOYSA-N 0 0 397.334 4.241 20 5 GIBDRN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1Cl ZINC000026347988 820087087 /nfs/dbraw/zinc/08/70/87/820087087.db2.gz INLBQFWNYGPIAO-LLVKDONJSA-N 0 0 394.258 4.142 20 5 GIBDRN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026348665 820087322 /nfs/dbraw/zinc/08/73/22/820087322.db2.gz GLEWYWXSRIBTMI-LBPRGKRZSA-N 0 0 381.354 4.073 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] ZINC000026358830 820088514 /nfs/dbraw/zinc/08/85/14/820088514.db2.gz XHYBLYYVVUTWSQ-UHFFFAOYSA-N 0 0 398.843 4.049 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2cccs2)o1 ZINC000026370308 820091015 /nfs/dbraw/zinc/09/10/15/820091015.db2.gz KFRKWIUTTITUIX-UHFFFAOYSA-N 0 0 390.446 4.136 20 5 GIBDRN Cc1csc(Sc2ccc(C(=O)OCc3cc(C)no3)cc2[N+](=O)[O-])n1 ZINC000026468496 820100956 /nfs/dbraw/zinc/10/09/56/820100956.db2.gz TYBNGQJROIRAOM-UHFFFAOYSA-N 0 0 391.430 4.164 20 5 GIBDRN COCc1c(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])sc2cccc(F)c21 ZINC000123083984 823459233 /nfs/dbraw/zinc/45/92/33/823459233.db2.gz BJDYWLUDXYCAME-UHFFFAOYSA-N 0 0 390.392 4.356 20 5 GIBDRN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 ZINC000026563864 820114512 /nfs/dbraw/zinc/11/45/12/820114512.db2.gz FQCGIVXPUSDKNS-UHFFFAOYSA-N 0 0 398.394 4.479 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2-c2ccccc2)cc1SC ZINC000177427622 823459789 /nfs/dbraw/zinc/45/97/89/823459789.db2.gz OIYQDTLKPRWSON-UHFFFAOYSA-N 0 0 398.444 4.072 20 5 GIBDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000026774878 820142344 /nfs/dbraw/zinc/14/23/44/820142344.db2.gz YMQPJMVXEKOQCL-SNVBAGLBSA-N 0 0 388.367 4.190 20 5 GIBDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000026793781 820145965 /nfs/dbraw/zinc/14/59/65/820145965.db2.gz OYMAQEQLNPOLGQ-UHFFFAOYSA-N 0 0 384.461 4.451 20 5 GIBDRN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000026907158 820161950 /nfs/dbraw/zinc/16/19/50/820161950.db2.gz KKWOJDGUCNEHEM-UHFFFAOYSA-N 0 0 382.445 4.446 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000026984548 820173389 /nfs/dbraw/zinc/17/33/89/820173389.db2.gz ABLPXORVSLVPMP-UHFFFAOYSA-N 0 0 392.795 4.061 20 5 GIBDRN CSc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000123086401 823459811 /nfs/dbraw/zinc/45/98/11/823459811.db2.gz XAOYFAKWVZLSSO-DZGCQCFKSA-N 0 0 392.502 4.107 20 5 GIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000027015816 820181194 /nfs/dbraw/zinc/18/11/94/820181194.db2.gz QYVKPRQURSEBPS-UHFFFAOYSA-N 0 0 398.850 4.040 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000573172760 823460147 /nfs/dbraw/zinc/46/01/47/823460147.db2.gz DYOPHODVCPHEJF-KRWDZBQOSA-N 0 0 393.468 4.087 20 5 GIBDRN CSc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000027168322 820204312 /nfs/dbraw/zinc/20/43/12/820204312.db2.gz QKDUNLVYMXXKJH-CQSZACIVSA-N 0 0 385.489 4.408 20 5 GIBDRN CC(C)[C@H](C)NC(=O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000123094246 823461471 /nfs/dbraw/zinc/46/14/71/823461471.db2.gz FGQMJMSQMNCROY-NSHDSACASA-N 0 0 388.295 4.279 20 5 GIBDRN CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2[N+](=O)[O-])CC1 ZINC000027270046 820217291 /nfs/dbraw/zinc/21/72/91/820217291.db2.gz STWCLPAYZINKKU-LJQANCHMSA-N 0 0 394.475 4.203 20 5 GIBDRN O=C(Cc1ccsc1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000027384943 820236333 /nfs/dbraw/zinc/23/63/33/820236333.db2.gz LGHUCVMFKRAUEZ-UHFFFAOYSA-N 0 0 382.397 4.057 20 5 GIBDRN Cc1ccc(OCc2nnc(-c3ccc(Br)s3)o2)c([N+](=O)[O-])c1 ZINC000027422789 820242867 /nfs/dbraw/zinc/24/28/67/820242867.db2.gz ZBMLSIDVBAKWHF-UHFFFAOYSA-N 0 0 396.222 4.356 20 5 GIBDRN CN(C)C(=O)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000177454087 823466107 /nfs/dbraw/zinc/46/61/07/823466107.db2.gz ZZWZTUCJIWACLA-HNNXBMFYSA-N 0 0 395.278 4.279 20 5 GIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c(Cl)c1 ZINC000410341731 823467640 /nfs/dbraw/zinc/46/76/40/823467640.db2.gz BKVPQLDQRPXRCY-UHFFFAOYSA-N 0 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CCNc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000028189904 820317227 /nfs/dbraw/zinc/31/72/27/820317227.db2.gz DBQHALSRUKGIRQ-GFCCVEGCSA-N 0 0 397.460 4.089 20 5 GIBDRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058911033 823469762 /nfs/dbraw/zinc/46/97/62/823469762.db2.gz BZGHXWYAVAWLFN-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000028328667 820325061 /nfs/dbraw/zinc/32/50/61/820325061.db2.gz PZGLIYZTYDPEQJ-KUHUBIRLSA-N 0 0 386.473 4.448 20 5 GIBDRN Cc1cc2[nH]c(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2c(C)c1 ZINC000028499794 820340763 /nfs/dbraw/zinc/34/07/63/820340763.db2.gz UPWFYOLFXHPLST-CQSZACIVSA-N 0 0 395.415 4.185 20 5 GIBDRN Cc1csc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000028604586 820344237 /nfs/dbraw/zinc/34/42/37/820344237.db2.gz HWTCEPMFTOOULU-UHFFFAOYSA-N 0 0 377.369 4.109 20 5 GIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cc(C)c(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000028806442 820359636 /nfs/dbraw/zinc/35/96/36/820359636.db2.gz RNBUQWMRINUMJQ-NSHDSACASA-N 0 0 393.827 4.013 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2nc3ccc(CC)cc3s2)cc([N+](=O)[O-])c1 ZINC000028837499 820362237 /nfs/dbraw/zinc/36/22/37/820362237.db2.gz UFPOYCTXFQOTSZ-UHFFFAOYSA-N 0 0 399.428 4.196 20 5 GIBDRN COc1cccc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc21 ZINC000028841387 820362896 /nfs/dbraw/zinc/36/28/96/820362896.db2.gz YQFHDJVBWKMIKU-UHFFFAOYSA-N 0 0 398.444 4.066 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189679073 823473784 /nfs/dbraw/zinc/47/37/84/823473784.db2.gz LMZZZHBMYAYLIR-HXUWFJFHSA-N 0 0 390.443 4.281 20 5 GIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000123179699 823474806 /nfs/dbraw/zinc/47/48/06/823474806.db2.gz HHLNGIRIDCFKBZ-HXUWFJFHSA-N 0 0 392.415 4.218 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(Cl)cc1 ZINC000029061853 820388403 /nfs/dbraw/zinc/38/84/03/820388403.db2.gz 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CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000029271246 820424969 /nfs/dbraw/zinc/42/49/69/820424969.db2.gz WWQAKBMENODKBQ-SFHVURJKSA-N 0 0 380.803 4.280 20 5 GIBDRN CC1(C)C[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2O1 ZINC000573303766 823478677 /nfs/dbraw/zinc/47/86/77/823478677.db2.gz CVHUUTQKMGQEMK-SFHVURJKSA-N 0 0 393.443 4.080 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(-c4ccc(F)cc4)c[nH]3)n2)cc1 ZINC000059017352 823483594 /nfs/dbraw/zinc/48/35/94/823483594.db2.gz PGYQWQCXSQQDSV-UHFFFAOYSA-N 0 0 397.391 4.466 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000189728212 823483164 /nfs/dbraw/zinc/48/31/64/823483164.db2.gz ZWKXQJGZSLCGAV-JTQLQIEISA-N 0 0 396.230 4.026 20 5 GIBDRN CCNc1ccc(C(=O)OCc2nc(-c3cccs3)oc2C)cc1[N+](=O)[O-] ZINC000029408475 820451834 /nfs/dbraw/zinc/45/18/34/820451834.db2.gz SQXIOXLJVRBVBP-UHFFFAOYSA-N 0 0 387.417 4.409 20 5 GIBDRN Cc1cc(CN(C)[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)no1 ZINC000029726538 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GIBDRN Cc1c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000178986121 822426460 /nfs/dbraw/zinc/42/64/60/822426460.db2.gz RZNIYNIRQRBEJY-LBPRGKRZSA-N 0 0 383.383 4.111 20 5 GIBDRN O=C(N[C@H](CC1CCC1)c1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183117468 822426772 /nfs/dbraw/zinc/42/67/72/822426772.db2.gz BUXBLOJYBPFQEU-HXUWFJFHSA-N 0 0 391.427 4.098 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000183138822 822429511 /nfs/dbraw/zinc/42/95/11/822429511.db2.gz DXGXIYIGIMKXSV-OLZOCXBDSA-N 0 0 387.411 4.004 20 5 GIBDRN CCOCCC1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000183139639 822429577 /nfs/dbraw/zinc/42/95/77/822429577.db2.gz NQAIFTQCUAKXPH-UHFFFAOYSA-N 0 0 386.901 4.053 20 5 GIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000046001684 822433148 /nfs/dbraw/zinc/43/31/48/822433148.db2.gz LOQVRRNBPXDKKD-KAMYIIQDSA-N 0 0 387.395 4.499 20 5 GIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000179097608 822437876 /nfs/dbraw/zinc/43/78/76/822437876.db2.gz HCIJORLGIGUUKS-UHFFFAOYSA-N 0 0 383.385 4.311 20 5 GIBDRN Cc1c(NC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000454208069 822439072 /nfs/dbraw/zinc/43/90/72/822439072.db2.gz WULVMTVNAHGIII-HNNXBMFYSA-N 0 0 375.812 4.242 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000454209356 822439138 /nfs/dbraw/zinc/43/91/38/822439138.db2.gz IDZAQQZBOCKNQA-HZMBPMFUSA-N 0 0 381.841 4.352 20 5 GIBDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454236397 822442162 /nfs/dbraw/zinc/44/21/62/822442162.db2.gz FDUFHFNIFWUXBR-QFBILLFUSA-N 0 0 397.475 4.211 20 5 GIBDRN COc1ccc(CSCC(=O)NC2(c3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000046178309 822447335 /nfs/dbraw/zinc/44/73/35/822447335.db2.gz WMVACNWPAIACRJ-UHFFFAOYSA-N 0 0 386.473 4.032 20 5 GIBDRN C[C@H](NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000454277186 822448952 /nfs/dbraw/zinc/44/89/52/822448952.db2.gz YWZPREDSTNHAAH-RYUDHWBXSA-N 0 0 379.363 4.318 20 5 GIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183256738 822449183 /nfs/dbraw/zinc/44/91/83/822449183.db2.gz GEVIOEMBNHRTAQ-ZDUSSCGKSA-N 0 0 396.378 4.367 20 5 GIBDRN Cn1nc(C2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179208365 822451468 /nfs/dbraw/zinc/45/14/68/822451468.db2.gz IDPIGHXMQJHEIB-UHFFFAOYSA-N 0 0 381.436 4.039 20 5 GIBDRN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454308588 822455779 /nfs/dbraw/zinc/45/57/79/822455779.db2.gz SBJFZWMSJDXEBC-LPHOPBHVSA-N 0 0 381.432 4.008 20 5 GIBDRN COc1cccc([C@H](C)NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454309895 822456081 /nfs/dbraw/zinc/45/60/81/822456081.db2.gz WTWRANWDFADSER-MAUKXSAKSA-N 0 0 383.448 4.254 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000454327996 822458423 /nfs/dbraw/zinc/45/84/23/822458423.db2.gz RBWDMFJDYOZVTQ-KRWDZBQOSA-N 0 0 383.383 4.369 20 5 GIBDRN CCCOc1cc(NC(=O)N2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCCC ZINC000454358770 822461752 /nfs/dbraw/zinc/46/17/52/822461752.db2.gz LBJMUPPGBKVFSF-OAHLLOKOSA-N 0 0 377.441 4.189 20 5 GIBDRN COc1ccccc1[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccn1 ZINC000179310081 822464224 /nfs/dbraw/zinc/46/42/24/822464224.db2.gz YZEWWNFFWRUQFY-HXUWFJFHSA-N 0 0 378.384 4.253 20 5 GIBDRN C[C@H]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H](C)O1 ZINC000179327987 822466769 /nfs/dbraw/zinc/46/67/69/822466769.db2.gz AHNZYQIFIMNAJW-KBPBESRZSA-N 0 0 386.473 4.432 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000046370561 822466817 /nfs/dbraw/zinc/46/68/17/822466817.db2.gz DFGQNYIMYYZKOD-LJQANCHMSA-N 0 0 381.819 4.471 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000454393938 822468151 /nfs/dbraw/zinc/46/81/51/822468151.db2.gz WEMQOQITQVLUSC-HNNXBMFYSA-N 0 0 391.225 4.121 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000454393939 822468181 /nfs/dbraw/zinc/46/81/81/822468181.db2.gz WEMQOQITQVLUSC-OAHLLOKOSA-N 0 0 391.225 4.121 20 5 GIBDRN COc1ccccc1CN(CCO)C(=O)c1cc2ccccc2c2cccnc12 ZINC000179391840 822476081 /nfs/dbraw/zinc/47/60/81/822476081.db2.gz ZNIIQTYIRZMWLJ-UHFFFAOYSA-N 0 0 386.451 4.031 20 5 GIBDRN CCc1ccc(C2=CCN(C(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000179407036 822478414 /nfs/dbraw/zinc/47/84/14/822478414.db2.gz UQBNYQKHAJDOLE-UHFFFAOYSA-N 0 0 396.443 4.104 20 5 GIBDRN CCc1nc([C@H](C)NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000454478500 822481603 /nfs/dbraw/zinc/48/16/03/822481603.db2.gz DZIOVANIGZMQAD-ZFWWWQNUSA-N 0 0 388.493 4.264 20 5 GIBDRN CCc1nc([C@H](C)NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000454478492 822481697 /nfs/dbraw/zinc/48/16/97/822481697.db2.gz DZIOVANIGZMQAD-DZGCQCFKSA-N 0 0 388.493 4.264 20 5 GIBDRN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000046534299 822483154 /nfs/dbraw/zinc/48/31/54/822483154.db2.gz IQVDHVPNSZCKBQ-UHFFFAOYSA-N 0 0 386.301 4.264 20 5 GIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179449642 822484945 /nfs/dbraw/zinc/48/49/45/822484945.db2.gz CYICFJBNRACCKX-SFTDATJTSA-N 0 0 395.459 4.189 20 5 GIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179449652 822485041 /nfs/dbraw/zinc/48/50/41/822485041.db2.gz CYICFJBNRACCKX-LEWJYISDSA-N 0 0 395.459 4.189 20 5 GIBDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454529391 822492006 /nfs/dbraw/zinc/49/20/06/822492006.db2.gz WSGOWMIIFFQBLT-GFCCVEGCSA-N 0 0 393.346 4.344 20 5 GIBDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183552498 822493943 /nfs/dbraw/zinc/49/39/43/822493943.db2.gz OSKSRJHJNBWWJD-NSHDSACASA-N 0 0 380.853 4.266 20 5 GIBDRN CN(CCCCc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000046632678 822496044 /nfs/dbraw/zinc/49/60/44/822496044.db2.gz YEVOLQNASDNBCQ-UHFFFAOYSA-N 0 0 395.503 4.293 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000046640793 822496910 /nfs/dbraw/zinc/49/69/10/822496910.db2.gz XLVVVSXQWIJZEA-CYBMUJFWSA-N 0 0 394.374 4.151 20 5 GIBDRN COCCOc1ccccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454566893 822497881 /nfs/dbraw/zinc/49/78/81/822497881.db2.gz DZBJZLBKRLKVBM-QGZVFWFLSA-N 0 0 399.447 4.032 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000046652443 822499030 /nfs/dbraw/zinc/49/90/30/822499030.db2.gz NREBXCYAOLUQSB-UHFFFAOYSA-N 0 0 383.448 4.418 20 5 GIBDRN C[C@H](CCc1ccc(O)cc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183641449 822505182 /nfs/dbraw/zinc/50/51/82/822505182.db2.gz JYLZPLRMFCZTEG-GFCCVEGCSA-N 0 0 394.880 4.183 20 5 GIBDRN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000183647763 822505824 /nfs/dbraw/zinc/50/58/24/822505824.db2.gz IZWWEDPTDUYFQB-GOSISDBHSA-N 0 0 397.822 4.292 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046711288 822508319 /nfs/dbraw/zinc/50/83/19/822508319.db2.gz WPOQSYMOCUYUEB-GASCZTMLSA-N 0 0 395.459 4.274 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046711289 822508332 /nfs/dbraw/zinc/50/83/32/822508332.db2.gz WPOQSYMOCUYUEB-GJZGRUSLSA-N 0 0 395.459 4.274 20 5 GIBDRN COCCC1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC000454675868 822515596 /nfs/dbraw/zinc/51/55/96/822515596.db2.gz LIOGVRLCNAYBJX-GOSISDBHSA-N 0 0 389.496 4.081 20 5 GIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)n1 ZINC000046793786 822517801 /nfs/dbraw/zinc/51/78/01/822517801.db2.gz JRMAHUMQUYXKCB-UHFFFAOYSA-N 0 0 393.428 4.259 20 5 GIBDRN Cc1c(Br)cc(C(=O)N2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000183730754 822517944 /nfs/dbraw/zinc/51/79/44/822517944.db2.gz PWWLBQWULWUUPH-UHFFFAOYSA-N 0 0 379.185 4.008 20 5 GIBDRN Cc1c(NC(=O)[C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)cccc1[N+](=O)[O-] ZINC000046833973 822522160 /nfs/dbraw/zinc/52/21/60/822522160.db2.gz KQPPYJNNIKPHBP-GFCCVEGCSA-N 0 0 380.404 4.361 20 5 GIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000183753284 822522452 /nfs/dbraw/zinc/52/24/52/822522452.db2.gz GYXICLYBNHUDBI-PXNSSMCTSA-N 0 0 389.496 4.253 20 5 GIBDRN CC(C)(C)[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000046896190 822527732 /nfs/dbraw/zinc/52/77/32/822527732.db2.gz QXNXNSJWCZEIJN-HXUWFJFHSA-N 0 0 396.491 4.214 20 5 GIBDRN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1 ZINC000179691925 822528423 /nfs/dbraw/zinc/52/84/23/822528423.db2.gz UXOUCZCEFVFBMV-LLVKDONJSA-N 0 0 393.237 4.075 20 5 GIBDRN CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000183818385 822531347 /nfs/dbraw/zinc/53/13/47/822531347.db2.gz NRXKMYKTGYZRBY-UHFFFAOYSA-N 0 0 394.453 4.375 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000183820911 822531852 /nfs/dbraw/zinc/53/18/52/822531852.db2.gz RFJHHCPRIJAHMB-MNOVXSKESA-N 0 0 379.457 4.469 20 5 GIBDRN COc1cc(CSc2nnc(-c3ccc(C)cc3)n2C)c([N+](=O)[O-])cc1F ZINC000183823513 822532320 /nfs/dbraw/zinc/53/23/20/822532320.db2.gz RKQKBIJMJDTPJD-UHFFFAOYSA-N 0 0 388.424 4.139 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1[N+](=O)[O-] ZINC000454779065 822532461 /nfs/dbraw/zinc/53/24/61/822532461.db2.gz ZVFPZNGINGLWCL-ZANVPECISA-N 0 0 379.338 4.060 20 5 GIBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000454783195 822533175 /nfs/dbraw/zinc/53/31/75/822533175.db2.gz UNCNFJZFRXPJND-PWSUYJOCSA-N 0 0 393.793 4.163 20 5 GIBDRN CC[C@H]1Cc2ccccc2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000183835388 822533959 /nfs/dbraw/zinc/53/39/59/822533959.db2.gz GLYFTZKQBBVMEQ-FQEVSTJZSA-N 0 0 393.487 4.175 20 5 GIBDRN COC1CCC(CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454788293 822534199 /nfs/dbraw/zinc/53/41/99/822534199.db2.gz IVMLEEOBTCEIRL-IPCDKGFNSA-N 0 0 389.496 4.079 20 5 GIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000046986906 822535831 /nfs/dbraw/zinc/53/58/31/822535831.db2.gz HJDHNJYSOPIORR-SNVBAGLBSA-N 0 0 388.811 4.016 20 5 GIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](CCCO)C1 ZINC000454800262 822536459 /nfs/dbraw/zinc/53/64/59/822536459.db2.gz AZXMCNJERVCKOX-OAHLLOKOSA-N 0 0 385.420 4.013 20 5 GIBDRN CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000454816351 822539745 /nfs/dbraw/zinc/53/97/45/822539745.db2.gz RCQQWGAUCBIWFM-IFXJQAMLSA-N 0 0 385.420 4.012 20 5 GIBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OC(C)C ZINC000183892113 822541570 /nfs/dbraw/zinc/54/15/70/822541570.db2.gz FBMJPAFRIVNTMD-UHFFFAOYSA-N 0 0 381.388 4.191 20 5 GIBDRN CCOc1ccccc1[C@@H](CC)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000179748461 822542009 /nfs/dbraw/zinc/54/20/09/822542009.db2.gz XMULDEAXAIXBLA-QGZVFWFLSA-N 0 0 382.420 4.284 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000047092618 822544059 /nfs/dbraw/zinc/54/40/59/822544059.db2.gz RYNJNTSATQFMJM-ZDUSSCGKSA-N 0 0 383.429 4.047 20 5 GIBDRN Cn1ccc2ccc(NC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc21 ZINC000454855516 822546739 /nfs/dbraw/zinc/54/67/39/822546739.db2.gz AAXNGLPXBVNGKF-KRWDZBQOSA-N 0 0 378.432 4.498 20 5 GIBDRN COc1ccc(-c2nnc(SCc3csc([N+](=O)[O-])c3)o2)cc1OC ZINC000047171853 822550692 /nfs/dbraw/zinc/55/06/92/822550692.db2.gz GKNWPHZGXIBQHY-UHFFFAOYSA-N 0 0 379.419 4.016 20 5 GIBDRN C[C@H](CN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nccs1 ZINC000183944663 822551634 /nfs/dbraw/zinc/55/16/34/822551634.db2.gz MLAUJIFNJDKPFC-SECBINFHSA-N 0 0 399.270 4.081 20 5 GIBDRN O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047185327 822552097 /nfs/dbraw/zinc/55/20/97/822552097.db2.gz JSIUWNPRJUQECC-UHFFFAOYSA-N 0 0 388.729 4.119 20 5 GIBDRN CCOc1ccc([C@H](C)Nc2ccccc2SCCC(N)=O)cc1[N+](=O)[O-] ZINC000179786627 822552901 /nfs/dbraw/zinc/55/29/01/822552901.db2.gz HQDFMAMVWWOPKI-ZDUSSCGKSA-N 0 0 389.477 4.134 20 5 GIBDRN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792392 822554053 /nfs/dbraw/zinc/55/40/53/822554053.db2.gz CFJRYGYMLFIQFS-BLLLJJGKSA-N 0 0 377.391 4.249 20 5 GIBDRN Cc1csc([C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C(F)(F)F)n1 ZINC000454930563 822558982 /nfs/dbraw/zinc/55/89/82/822558982.db2.gz SLPZSXPOJBXESZ-LBPRGKRZSA-N 0 0 388.371 4.402 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000454937485 822560123 /nfs/dbraw/zinc/56/01/23/822560123.db2.gz CORIDOTWOPQVRX-UHFFFAOYSA-N 0 0 398.467 4.095 20 5 GIBDRN C[C@H](c1ccncc1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047277746 822561451 /nfs/dbraw/zinc/56/14/51/822561451.db2.gz CWVFEZBKMYQJJY-GFCCVEGCSA-N 0 0 396.369 4.030 20 5 GIBDRN Cc1c(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cccc1[N+](=O)[O-] ZINC000047346068 822569104 /nfs/dbraw/zinc/56/91/04/822569104.db2.gz UWSAYMIIBFBXLT-UHFFFAOYSA-N 0 0 392.415 4.199 20 5 GIBDRN Cc1cnn(-c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2F)c1 ZINC000184040256 822569167 /nfs/dbraw/zinc/56/91/67/822569167.db2.gz INHDMEWUYBAPQQ-GFCCVEGCSA-N 0 0 386.358 4.109 20 5 GIBDRN COc1cc(OC)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000047352501 822570081 /nfs/dbraw/zinc/57/00/81/822570081.db2.gz LOHZKKBFYFJJDB-JTQLQIEISA-N 0 0 379.800 4.148 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(F)c(Br)c3)o2)cc1 ZINC000179901083 822573749 /nfs/dbraw/zinc/57/37/49/822573749.db2.gz HMBMZKZGOWFIAG-UHFFFAOYSA-N 0 0 394.156 4.125 20 5 GIBDRN C[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000047398687 822575091 /nfs/dbraw/zinc/57/50/91/822575091.db2.gz ZYGSBLHRZKHEIV-NSHDSACASA-N 0 0 383.326 4.419 20 5 GIBDRN CC[C@H](NC(=O)NCc1ccc(OC(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000455050315 822580481 /nfs/dbraw/zinc/58/04/81/822580481.db2.gz HMLOWRDXSPXUDR-HNNXBMFYSA-N 0 0 397.353 4.286 20 5 GIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179953399 822584849 /nfs/dbraw/zinc/58/48/49/822584849.db2.gz POOSTGRTWVQUHM-UHFFFAOYSA-N 0 0 391.374 4.357 20 5 GIBDRN O=C(NCc1ccc(OCc2ccccc2F)cc1)c1ccccc1[N+](=O)[O-] ZINC000184144401 822585332 /nfs/dbraw/zinc/58/53/32/822585332.db2.gz YYXPEXTYTADKNV-UHFFFAOYSA-N 0 0 380.375 4.243 20 5 GIBDRN C[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000455090430 822587780 /nfs/dbraw/zinc/58/77/80/822587780.db2.gz GYUHGKXBNWZTQD-LBPRGKRZSA-N 0 0 379.363 4.099 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000455092212 822587894 /nfs/dbraw/zinc/58/78/94/822587894.db2.gz JKSUJMKWBVWYMU-IFXJQAMLSA-N 0 0 399.447 4.220 20 5 GIBDRN C[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455098207 822588518 /nfs/dbraw/zinc/58/85/18/822588518.db2.gz VAMSGYBFTAHIHF-AWEZNQCLSA-N 0 0 387.411 4.048 20 5 GIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000455099752 822588874 /nfs/dbraw/zinc/58/88/74/822588874.db2.gz WMBFEBTVKIWZFU-SIFCLUCFSA-N 0 0 383.448 4.457 20 5 GIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000184188140 822592977 /nfs/dbraw/zinc/59/29/77/822592977.db2.gz NRZCBDRDQIOVGV-JQWIXIFHSA-N 0 0 379.457 4.384 20 5 GIBDRN COc1cc2c(cc1Cl)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000455156953 822598693 /nfs/dbraw/zinc/59/86/93/822598693.db2.gz DHZJKCAOUYRNRA-UHFFFAOYSA-N 0 0 375.812 4.155 20 5 GIBDRN C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nccs1 ZINC000184288070 822609144 /nfs/dbraw/zinc/60/91/44/822609144.db2.gz PTFGBUMFCLLCIV-ZDUSSCGKSA-N 0 0 382.445 4.328 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2ccc(N3CCCC3)nc2)c2ccccc2)c1 ZINC000180078760 822610998 /nfs/dbraw/zinc/61/09/98/822610998.db2.gz NKKFFQIRWLWZJF-QHCPKHFHSA-N 0 0 388.471 4.469 20 5 GIBDRN C[C@@H](C(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184319076 822614081 /nfs/dbraw/zinc/61/40/81/822614081.db2.gz YPXBFQWWAGVRLF-CABCVRRESA-N 0 0 388.464 4.478 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)o1 ZINC000184329249 822616105 /nfs/dbraw/zinc/61/61/05/822616105.db2.gz QKFDFYJAEBHXRC-NSHDSACASA-N 0 0 384.367 4.089 20 5 GIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000455270406 822622813 /nfs/dbraw/zinc/62/28/13/822622813.db2.gz LBYZWVXQPWFKBF-MRXNPFEDSA-N 0 0 397.431 4.101 20 5 GIBDRN O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[n+]2[O-])c1 ZINC000047971290 822623214 /nfs/dbraw/zinc/62/32/14/822623214.db2.gz WYGZQGFJHUNZJI-GQCTYLIASA-N 0 0 398.762 4.022 20 5 GIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nn1-c1cccc(F)c1 ZINC000180142100 822625139 /nfs/dbraw/zinc/62/51/39/822625139.db2.gz DRWSDSRITJNOQW-UHFFFAOYSA-N 0 0 391.362 4.029 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000180145895 822626097 /nfs/dbraw/zinc/62/60/97/822626097.db2.gz XXRNMWQGNYBBBW-UHFFFAOYSA-N 0 0 384.417 4.398 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nc(C(C)(C)C)cs1 ZINC000180149662 822627067 /nfs/dbraw/zinc/62/70/67/822627067.db2.gz DSBSKXAARHXILY-GFCCVEGCSA-N 0 0 382.507 4.333 20 5 GIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000184415766 822631008 /nfs/dbraw/zinc/63/10/08/822631008.db2.gz IUXIOGAVJSSLRD-RDJZCZTQSA-N 0 0 382.441 4.460 20 5 GIBDRN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180198205 822637682 /nfs/dbraw/zinc/63/76/82/822637682.db2.gz TZOMAMZJBRRMAZ-UHFFFAOYSA-N 0 0 388.489 4.419 20 5 GIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000184451308 822637679 /nfs/dbraw/zinc/63/76/79/822637679.db2.gz RGOMQYYKLJIIFF-HXUWFJFHSA-N 0 0 399.472 4.133 20 5 GIBDRN COCCOc1c(Cl)cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Cl ZINC000180198553 822637881 /nfs/dbraw/zinc/63/78/81/822637881.db2.gz NKCWBDPJJGKHEP-UHFFFAOYSA-N 0 0 399.230 4.488 20 5 GIBDRN CC[C@H](C)c1ncc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000455349056 822638136 /nfs/dbraw/zinc/63/81/36/822638136.db2.gz RKFVYTYUJDMXBJ-GOEBONIOSA-N 0 0 383.452 4.310 20 5 GIBDRN Cc1c(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000455352725 822638721 /nfs/dbraw/zinc/63/87/21/822638721.db2.gz JZUIBKHARMGALF-XJKSGUPXSA-N 0 0 394.269 4.318 20 5 GIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000180211218 822640239 /nfs/dbraw/zinc/64/02/39/822640239.db2.gz SOCFUBLGXZUBPP-AREMUKBSSA-N 0 0 392.502 4.226 20 5 GIBDRN C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000184475580 822642625 /nfs/dbraw/zinc/64/26/25/822642625.db2.gz QHGHKWSJYSIRGI-FZKQIMNGSA-N 0 0 389.839 4.092 20 5 GIBDRN Cc1cc(Br)c(O)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000184481679 822643426 /nfs/dbraw/zinc/64/34/26/822643426.db2.gz SOBFKLZNJTXRKM-SECBINFHSA-N 0 0 397.200 4.253 20 5 GIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184494086 822645040 /nfs/dbraw/zinc/64/50/40/822645040.db2.gz QKCXXEZBPVZGEU-NWDGAFQWSA-N 0 0 376.482 4.027 20 5 GIBDRN C[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184494064 822645080 /nfs/dbraw/zinc/64/50/80/822645080.db2.gz QKCXXEZBPVZGEU-RYUDHWBXSA-N 0 0 376.482 4.027 20 5 GIBDRN Cc1c(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1[C@H]1CCOC1 ZINC000455400431 822646965 /nfs/dbraw/zinc/64/69/65/822646965.db2.gz BZXIILHGLLXMQF-AWEZNQCLSA-N 0 0 387.440 4.003 20 5 GIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180256957 822649431 /nfs/dbraw/zinc/64/94/31/822649431.db2.gz RNWVYRDJCACZMA-GDBMZVCRSA-N 0 0 399.205 4.301 20 5 GIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180257010 822649441 /nfs/dbraw/zinc/64/94/41/822649441.db2.gz RNWVYRDJCACZMA-HOCLYGCPSA-N 0 0 399.205 4.301 20 5 GIBDRN CCOc1ccc([C@@H](C)Nc2cccc(NC(=O)[C@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000180267839 822651387 /nfs/dbraw/zinc/65/13/87/822651387.db2.gz BJRXOQRDBNTVNZ-KGLIPLIRSA-N 0 0 387.436 4.140 20 5 GIBDRN CCOc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000184530409 822651893 /nfs/dbraw/zinc/65/18/93/822651893.db2.gz IVHYGLOCMKCYCF-KDOFPFPSSA-N 0 0 399.447 4.186 20 5 GIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048317024 822653222 /nfs/dbraw/zinc/65/32/22/822653222.db2.gz PXBUKMMKYKWXFO-UHFFFAOYSA-N 0 0 393.321 4.247 20 5 GIBDRN COc1cc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000048340864 822654601 /nfs/dbraw/zinc/65/46/01/822654601.db2.gz BFLNIWZBXNAQJZ-HNNXBMFYSA-N 0 0 398.459 4.345 20 5 GIBDRN CCCN1C(=O)CCc2cc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000180282811 822654667 /nfs/dbraw/zinc/65/46/67/822654667.db2.gz ZTHYUAZWIADRKL-UHFFFAOYSA-N 0 0 399.472 4.015 20 5 GIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000455444867 822655448 /nfs/dbraw/zinc/65/54/48/822655448.db2.gz ZQEWQWSFHYIQIT-UHFFFAOYSA-N 0 0 382.342 4.374 20 5 GIBDRN Cc1ccc(O[C@@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000180290188 822656804 /nfs/dbraw/zinc/65/68/04/822656804.db2.gz KYHLNRBXWHNWHE-AWEZNQCLSA-N 0 0 397.456 4.457 20 5 GIBDRN CO[C@@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000180290528 822656825 /nfs/dbraw/zinc/65/68/25/822656825.db2.gz NKBMXKZPJXVGIK-QGZVFWFLSA-N 0 0 383.429 4.069 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000455456357 822657960 /nfs/dbraw/zinc/65/79/60/822657960.db2.gz AMDDEMUFFBMLNJ-LBPRGKRZSA-N 0 0 388.371 4.347 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000455463162 822659242 /nfs/dbraw/zinc/65/92/42/822659242.db2.gz LGQXTWXCPHNRDS-BBRMVZONSA-N 0 0 375.450 4.261 20 5 GIBDRN CC(C)CN(C(=O)[C@@H]1CCCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180300909 822659776 /nfs/dbraw/zinc/65/97/76/822659776.db2.gz JCZLGGDEHIRUPT-KRWDZBQOSA-N 0 0 389.477 4.276 20 5 GIBDRN CC(C)CN(C(=O)C1CCOCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180301452 822659778 /nfs/dbraw/zinc/65/97/78/822659778.db2.gz 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ZINC000052610396 822805002 /nfs/dbraw/zinc/80/50/02/822805002.db2.gz MPLLOQOUVGXYOK-IBGZPJMESA-N 0 0 395.415 4.071 20 5 GIBDRN CN(CCc1ccccn1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000052818297 822811750 /nfs/dbraw/zinc/81/17/50/822811750.db2.gz ABZYZZRQKVCMKC-UHFFFAOYSA-N 0 0 376.416 4.048 20 5 GIBDRN Cc1c(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000185717977 822813893 /nfs/dbraw/zinc/81/38/93/822813893.db2.gz PLPVUAHXWRENME-QGZVFWFLSA-N 0 0 393.802 4.301 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Sc2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000052915466 822815599 /nfs/dbraw/zinc/81/55/99/822815599.db2.gz CVQNHNSWGGFMOL-JTQLQIEISA-N 0 0 396.266 4.180 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052917597 822815708 /nfs/dbraw/zinc/81/57/08/822815708.db2.gz MCLHCLURBQVDTF-INIZCTEOSA-N 0 0 390.443 4.135 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000052938153 822816347 /nfs/dbraw/zinc/81/63/47/822816347.db2.gz XBAVWVVYCGPRFD-VYDXJSESSA-N 0 0 382.464 4.471 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccccc2F)cc1[N+](=O)[O-])c1ccccn1 ZINC000052955235 822816764 /nfs/dbraw/zinc/81/67/64/822816764.db2.gz HKDYQKDWLNVWHQ-AWEZNQCLSA-N 0 0 394.406 4.232 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052958935 822817097 /nfs/dbraw/zinc/81/70/97/822817097.db2.gz JKYRSYRGCGHVPH-CQSZACIVSA-N 0 0 380.404 4.028 20 5 GIBDRN Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000456573483 822817406 /nfs/dbraw/zinc/81/74/06/822817406.db2.gz LHRGKIQGVZCUPZ-CMPLNLGQSA-N 0 0 384.276 4.249 20 5 GIBDRN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cn(C)c2ccccc12 ZINC000185763674 822818858 /nfs/dbraw/zinc/81/88/58/822818858.db2.gz GJGAYAGNCLESHE-HNNXBMFYSA-N 0 0 377.444 4.381 20 5 GIBDRN CO[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000456613956 822819536 /nfs/dbraw/zinc/81/95/36/822819536.db2.gz WZQXDXXWRMYKHQ-YJYMSZOUSA-N 0 0 386.473 4.289 20 5 GIBDRN CO[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000456613951 822819540 /nfs/dbraw/zinc/81/95/40/822819540.db2.gz WZQXDXXWRMYKHQ-DJJJIMSYSA-N 0 0 386.473 4.289 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116383 822822481 /nfs/dbraw/zinc/82/24/81/822822481.db2.gz USIHOKDXPKGDCZ-UHFFFAOYSA-N 0 0 382.247 4.281 20 5 GIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000053129409 822822882 /nfs/dbraw/zinc/82/28/82/822822882.db2.gz XOIJONCIAUBTCD-CYBMUJFWSA-N 0 0 390.399 4.233 20 5 GIBDRN CCN1C(=O)CCc2cc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)ccc21 ZINC000185811558 822823320 /nfs/dbraw/zinc/82/33/20/822823320.db2.gz ARZSETSDWMDBGH-UHFFFAOYSA-N 0 0 381.432 4.071 20 5 GIBDRN CCn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000053145461 822823495 /nfs/dbraw/zinc/82/34/95/822823495.db2.gz LUAMRKGTGHLFFX-UHFFFAOYSA-N 0 0 376.463 4.106 20 5 GIBDRN O=C(NCCC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000456741064 822828583 /nfs/dbraw/zinc/82/85/83/822828583.db2.gz DXOVGHDOOGCJJV-HNNXBMFYSA-N 0 0 392.521 4.424 20 5 GIBDRN Cc1ccc(-c2nnc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)o2)s1 ZINC000185906966 822832231 /nfs/dbraw/zinc/83/22/31/822832231.db2.gz TZEXNRJJOZRDOG-UHFFFAOYSA-N 0 0 382.348 4.228 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC000456823682 822835475 /nfs/dbraw/zinc/83/54/75/822835475.db2.gz DZOOETMFFQBSKO-KRWDZBQOSA-N 0 0 375.375 4.039 20 5 GIBDRN C[C@H](C(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000456827981 822835778 /nfs/dbraw/zinc/83/57/78/822835778.db2.gz HHVNLDJQQSFLMT-VOJFVSQTSA-N 0 0 378.350 4.479 20 5 GIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@]2(CCSC2)C1 ZINC000456836387 822836751 /nfs/dbraw/zinc/83/67/51/822836751.db2.gz LQHDYEPBIHKKRS-QFIPXVFZSA-N 0 0 396.487 4.180 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456850989 822838035 /nfs/dbraw/zinc/83/80/35/822838035.db2.gz WRZCMULPEYVMNL-KRWDZBQOSA-N 0 0 380.778 4.433 20 5 GIBDRN CCc1cc(N2CCC(OCC(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053575631 822841409 /nfs/dbraw/zinc/84/14/09/822841409.db2.gz BHFPWCXVTHGZOK-UHFFFAOYSA-N 0 0 384.480 4.256 20 5 GIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186001319 822842691 /nfs/dbraw/zinc/84/26/91/822842691.db2.gz VGOIOPXJLFDUPP-JTQLQIEISA-N 0 0 383.782 4.429 20 5 GIBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(SC)ccc3[N+](=O)[O-])C2)c1 ZINC000456932627 822842829 /nfs/dbraw/zinc/84/28/29/822842829.db2.gz AXMAWYHCNZHEJT-SHTZXODSSA-N 0 0 386.473 4.344 20 5 GIBDRN O=C(C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000174833910 822843600 /nfs/dbraw/zinc/84/36/00/822843600.db2.gz HEZUDGWFJRNKTK-UHFFFAOYSA-N 0 0 399.878 4.050 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccccc1)c1cccnc1 ZINC000186013462 822843777 /nfs/dbraw/zinc/84/37/77/822843777.db2.gz PIAHCQJCDUMRAF-IBGZPJMESA-N 0 0 396.834 4.232 20 5 GIBDRN O=[N+]([O-])c1cccc(Cc2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000174837080 822844164 /nfs/dbraw/zinc/84/41/64/822844164.db2.gz RVTPUWNDOSZFSM-UHFFFAOYSA-N 0 0 388.383 4.210 20 5 GIBDRN CCO[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000456986106 822844860 /nfs/dbraw/zinc/84/48/60/822844860.db2.gz UGSWETKCZZECRT-NVXWUHKLSA-N 0 0 386.473 4.433 20 5 GIBDRN COc1cccc(-c2nnc(NCc3ccc(C(C)C)c([N+](=O)[O-])c3)o2)c1OC ZINC000186044266 822846756 /nfs/dbraw/zinc/84/67/56/822846756.db2.gz DDLPMSKTFXPQJT-UHFFFAOYSA-N 0 0 398.419 4.398 20 5 GIBDRN CSc1cccc(C(=O)N(Cc2ccco2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000186054139 822847631 /nfs/dbraw/zinc/84/76/31/822847631.db2.gz FGVPDPSDJJGMFS-UHFFFAOYSA-N 0 0 383.429 4.147 20 5 GIBDRN COc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F ZINC000186056263 822847774 /nfs/dbraw/zinc/84/77/74/822847774.db2.gz GBBSCLAKLSTBOK-UHFFFAOYSA-N 0 0 390.414 4.250 20 5 GIBDRN COC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000457074453 822850213 /nfs/dbraw/zinc/85/02/13/822850213.db2.gz HJEZXLKVUFXDJH-HNNXBMFYSA-N 0 0 380.510 4.232 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](COC)CC1 ZINC000457084841 822851459 /nfs/dbraw/zinc/85/14/59/822851459.db2.gz NDQRFOOVVVVLGD-HNNXBMFYSA-N 0 0 380.510 4.376 20 5 GIBDRN Cc1cccc2c1N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCC2 ZINC000053896233 822852152 /nfs/dbraw/zinc/85/21/52/822852152.db2.gz VUTRQOMIQHAGCX-UHFFFAOYSA-N 0 0 375.222 4.259 20 5 GIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000457096364 822852977 /nfs/dbraw/zinc/85/29/77/822852977.db2.gz TWUIRDFFYNFAEF-TZMCWYRMSA-N 0 0 376.844 4.161 20 5 GIBDRN CSc1cccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1[N+](=O)[O-] ZINC000186140355 822854971 /nfs/dbraw/zinc/85/49/71/822854971.db2.gz FYJWEXJRPKHZCA-UHFFFAOYSA-N 0 0 382.445 4.372 20 5 GIBDRN CSc1cccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1[N+](=O)[O-] ZINC000186143472 822855345 /nfs/dbraw/zinc/85/53/45/822855345.db2.gz REYSIAWEYSPOTO-MRXNPFEDSA-N 0 0 384.461 4.320 20 5 GIBDRN Cc1cccc(C)c1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005459 822857040 /nfs/dbraw/zinc/85/70/40/822857040.db2.gz PUEAFNZNDYFLMK-QGZVFWFLSA-N 0 0 399.447 4.416 20 5 GIBDRN COc1cccc(C(NCc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 ZINC000174928418 822857229 /nfs/dbraw/zinc/85/72/29/822857229.db2.gz KFCNLZLTAIZPES-UHFFFAOYSA-N 0 0 378.428 4.491 20 5 GIBDRN CCOc1ccc(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1OCC ZINC000174946593 822859572 /nfs/dbraw/zinc/85/95/72/822859572.db2.gz DBNUCOQWWYXKJA-UHFFFAOYSA-N 0 0 392.839 4.018 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000054057349 822860678 /nfs/dbraw/zinc/86/06/78/822860678.db2.gz CDLIRXRAOXZNJZ-UHFFFAOYSA-N 0 0 385.420 4.363 20 5 GIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000457213252 822861029 /nfs/dbraw/zinc/86/10/29/822861029.db2.gz OMIWLZLXLMZIHZ-CQSZACIVSA-N 0 0 380.510 4.422 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN(C)C)cs1 ZINC000457306858 822864143 /nfs/dbraw/zinc/86/41/43/822864143.db2.gz FLULNDMZTYRLAY-UHFFFAOYSA-N 0 0 394.522 4.113 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000186246793 822864490 /nfs/dbraw/zinc/86/44/90/822864490.db2.gz AOSISWUUYYNPJY-INIZCTEOSA-N 0 0 381.215 4.115 20 5 GIBDRN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054153337 822864532 /nfs/dbraw/zinc/86/45/32/822864532.db2.gz NDNRCBOPJSSCBY-CYBMUJFWSA-N 0 0 388.518 4.145 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000457321187 822865130 /nfs/dbraw/zinc/86/51/30/822865130.db2.gz BVQQWFFUNOYQDO-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN CSc1cccc(C(=O)N(C)c2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000186255165 822865509 /nfs/dbraw/zinc/86/55/09/822865509.db2.gz WPKDCCPPQMSCAV-UHFFFAOYSA-N 0 0 399.241 4.495 20 5 GIBDRN COCCOc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000186259666 822866093 /nfs/dbraw/zinc/86/60/93/822866093.db2.gz BRAQTFDLLLXATB-CYBMUJFWSA-N 0 0 392.839 4.073 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1C(F)(F)F ZINC000054196962 822867975 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CC[C@@H](C)n1ncc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 ZINC000186304503 822873740 /nfs/dbraw/zinc/87/37/40/822873740.db2.gz NHYJSPKSEIXJEG-LLVKDONJSA-N 0 0 376.844 4.223 20 5 GIBDRN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000457439729 822875206 /nfs/dbraw/zinc/87/52/06/822875206.db2.gz RNUIXZIXWIRUNK-SCLBCKFNSA-N 0 0 381.436 4.229 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1Br ZINC000186318520 822875554 /nfs/dbraw/zinc/87/55/54/822875554.db2.gz GEAUSQDIGBCQME-UHFFFAOYSA-N 0 0 383.173 4.147 20 5 GIBDRN COc1ccc(SCCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000186333058 822877473 /nfs/dbraw/zinc/87/74/73/822877473.db2.gz ZKAAQNVCGDDLPS-UHFFFAOYSA-N 0 0 380.853 4.055 20 5 GIBDRN O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186343798 822878861 /nfs/dbraw/zinc/87/88/61/822878861.db2.gz DMSRWQGCLJOTCH-UHFFFAOYSA-N 0 0 381.215 4.181 20 5 GIBDRN Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389802 822880896 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ZINC000191460577 823687801 /nfs/dbraw/zinc/68/78/01/823687801.db2.gz LHIQDSFJRIOEAQ-UHFFFAOYSA-N 0 0 396.403 4.255 20 5 GIBDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000412877130 823687882 /nfs/dbraw/zinc/68/78/82/823687882.db2.gz PVHYMVVVSXWDPR-WTANOLMUSA-N 0 0 386.473 4.004 20 5 GIBDRN Nc1c(C(=O)N2CC=C(c3cccc4ccccc43)CC2)cc(F)cc1[N+](=O)[O-] ZINC000063690262 823689473 /nfs/dbraw/zinc/68/94/73/823689473.db2.gz WTHPBLVUEINUHS-UHFFFAOYSA-N 0 0 391.402 4.399 20 5 GIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000461748356 823691280 /nfs/dbraw/zinc/69/12/80/823691280.db2.gz RBLREBNFBWSTJZ-UHFFFAOYSA-N 0 0 378.428 4.310 20 5 GIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000461749298 823691287 /nfs/dbraw/zinc/69/12/87/823691287.db2.gz LLMYNUGJPAZTCH-UHFFFAOYSA-N 0 0 378.428 4.310 20 5 GIBDRN O=C(N[C@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000412920375 823693121 /nfs/dbraw/zinc/69/31/21/823693121.db2.gz UWNYZOGLIRWXQB-GJZGRUSLSA-N 0 0 386.473 4.027 20 5 GIBDRN Cc1c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1cc(C)ccc1C ZINC000125649411 823693321 /nfs/dbraw/zinc/69/33/21/823693321.db2.gz WOVFJTHWYQSXHW-UHFFFAOYSA-N 0 0 389.415 4.439 20 5 GIBDRN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000191528632 823695930 /nfs/dbraw/zinc/69/59/30/823695930.db2.gz IYGWTPFQMHRCAX-AWEZNQCLSA-N 0 0 386.448 4.014 20 5 GIBDRN C[C@@H](c1ccncc1)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000125699283 823698028 /nfs/dbraw/zinc/69/80/28/823698028.db2.gz WJUSHOAXAIZXCU-NSHDSACASA-N 0 0 399.394 4.320 20 5 GIBDRN C[C@@H]1CCCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461806917 823698538 /nfs/dbraw/zinc/69/85/38/823698538.db2.gz KASXKCKTMRHNRP-VQIMIIECSA-N 0 0 399.495 4.191 20 5 GIBDRN CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461811660 823699841 /nfs/dbraw/zinc/69/98/41/823699841.db2.gz LRFUCRGHEDGPSM-KFKAGJAMSA-N 0 0 399.495 4.047 20 5 GIBDRN C[C@H](N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)C1(C)CC1 ZINC000461813683 823700186 /nfs/dbraw/zinc/70/01/86/823700186.db2.gz LRHXPQQQZISNCN-YJBOKZPZSA-N 0 0 399.495 4.047 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000125721789 823700197 /nfs/dbraw/zinc/70/01/97/823700197.db2.gz HPCNYRNDIGDDFW-UHFFFAOYSA-N 0 0 388.763 4.025 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC(OCc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413028202 823700470 /nfs/dbraw/zinc/70/04/70/823700470.db2.gz AZVJUFOHEXBZOP-UHFFFAOYSA-N 0 0 381.354 4.194 20 5 GIBDRN COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000413038436 823700745 /nfs/dbraw/zinc/70/07/45/823700745.db2.gz DKAAIFTUSLXOFU-QWHCGFSZSA-N 0 0 376.796 4.008 20 5 GIBDRN O=[N+]([O-])c1cnc(NCc2ccnc(N3CCCCC3)c2)c(C(F)(F)F)c1 ZINC000413067552 823703043 /nfs/dbraw/zinc/70/30/43/823703043.db2.gz CMYXIMOJVZJTBY-UHFFFAOYSA-N 0 0 381.358 4.006 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 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COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413219319 823730986 /nfs/dbraw/zinc/73/09/86/823730986.db2.gz MDGYMEOEOKVZBN-BMIGLBTASA-N 0 0 385.342 4.205 20 5 GIBDRN O=C(Nc1ccccc1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000125860081 823731175 /nfs/dbraw/zinc/73/11/75/823731175.db2.gz XBZGOBCKNGFVLN-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN C[C@@H](Nc1ccc(C(=O)OCCOC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000064000056 823731632 /nfs/dbraw/zinc/73/16/32/823731632.db2.gz INZZLOLKRGEVDC-CQSZACIVSA-N 0 0 387.436 4.135 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000461875452 823733292 /nfs/dbraw/zinc/73/32/92/823733292.db2.gz HRUMQNLCWDFBTF-NSHDSACASA-N 0 0 384.333 4.086 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(c2nccs2)c2ccc(F)c(Cl)c2)n1 ZINC000191692365 823736179 /nfs/dbraw/zinc/73/61/79/823736179.db2.gz YIXXVMVMHZXUTB-UHFFFAOYSA-N 0 0 395.803 4.039 20 5 GIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC(n4ccc(C(F)(F)F)n4)CC3)c2c1 ZINC000413244262 823737124 /nfs/dbraw/zinc/73/71/24/823737124.db2.gz WISUBLKJXYYJLB-UHFFFAOYSA-N 0 0 391.353 4.200 20 5 GIBDRN COC(=O)c1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)sc1C ZINC000413273556 823743197 /nfs/dbraw/zinc/74/31/97/823743197.db2.gz VODPSXSVKVNAPP-OAHLLOKOSA-N 0 0 398.444 4.036 20 5 GIBDRN COC(=O)c1nc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)sc1C ZINC000413273555 823743270 /nfs/dbraw/zinc/74/32/70/823743270.db2.gz VODPSXSVKVNAPP-HNNXBMFYSA-N 0 0 398.444 4.036 20 5 GIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c2cccnc21 ZINC000413280301 823744161 /nfs/dbraw/zinc/74/41/61/823744161.db2.gz IORGUFSDGKHRAQ-HNNXBMFYSA-N 0 0 377.448 4.060 20 5 GIBDRN COc1ccccc1[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000163795707 823750022 /nfs/dbraw/zinc/75/00/22/823750022.db2.gz FVDUITQTJRMZGV-LJQANCHMSA-N 0 0 398.440 4.438 20 5 GIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)OCCc1ccccc12 ZINC000413321794 823752057 /nfs/dbraw/zinc/75/20/57/823752057.db2.gz BLRUKXCRHUDJTE-UHFFFAOYSA-N 0 0 375.428 4.211 20 5 GIBDRN COCc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000163864801 823755162 /nfs/dbraw/zinc/75/51/62/823755162.db2.gz CJLYXRPNSXEEOO-UHFFFAOYSA-N 0 0 379.210 4.064 20 5 GIBDRN CCO[C@@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C12CCOCC2 ZINC000461932796 823763600 /nfs/dbraw/zinc/76/36/00/823763600.db2.gz CXNFDAQZLHWAEQ-HZPDHXFCSA-N 0 0 388.386 4.308 20 5 GIBDRN CCn1nccc1[C@@H]1OCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000461947120 823768294 /nfs/dbraw/zinc/76/82/94/823768294.db2.gz IRYWFTZRYBEWAH-YVEFUNNKSA-N 0 0 398.385 4.328 20 5 GIBDRN Cc1cc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948691 823768721 /nfs/dbraw/zinc/76/87/21/823768721.db2.gz NWTSMPCLKZOCEM-NOZJJQNGSA-N 0 0 386.292 4.062 20 5 GIBDRN CCO[C@@H](C)c1noc(CN(C)c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000461953297 823769786 /nfs/dbraw/zinc/76/97/86/823769786.db2.gz AWPSFHFIEKVLEG-JTQLQIEISA-N 0 0 388.346 4.039 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)n1 ZINC000191794073 823769849 /nfs/dbraw/zinc/76/98/49/823769849.db2.gz WELRSFJDGAWWSV-UHFFFAOYSA-N 0 0 390.871 4.097 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1F ZINC000574589705 823773475 /nfs/dbraw/zinc/77/34/75/823773475.db2.gz BRPXTJVJWUZFJK-UHFFFAOYSA-N 0 0 389.127 4.335 20 5 GIBDRN COc1ccc(OC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000574592560 823774597 /nfs/dbraw/zinc/77/45/97/823774597.db2.gz QXIMGQQWLQUVCP-UHFFFAOYSA-N 0 0 397.353 4.065 20 5 GIBDRN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000413437889 823777749 /nfs/dbraw/zinc/77/77/49/823777749.db2.gz OPSPXZLYUPZVDR-MAUKXSAKSA-N 0 0 396.340 4.371 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CCCN(C)c3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000413492071 823787122 /nfs/dbraw/zinc/78/71/22/823787122.db2.gz BZPRADJIFQKAOK-UHFFFAOYSA-N 0 0 387.411 4.008 20 5 GIBDRN Cc1cc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574639848 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387.779 4.309 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2(NC(C)=O)CCCCC2)no1 ZINC000571002454 823118213 /nfs/dbraw/zinc/11/82/13/823118213.db2.gz GXOASNUUTRJCFO-INIZCTEOSA-N 0 0 386.452 4.010 20 5 GIBDRN COc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC(F)F ZINC000056288702 823122105 /nfs/dbraw/zinc/12/21/05/823122105.db2.gz ILVSLFKUYKJQRE-UHFFFAOYSA-N 0 0 394.374 4.256 20 5 GIBDRN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056295360 823122945 /nfs/dbraw/zinc/12/29/45/823122945.db2.gz YORALYWPICWTQN-UHFFFAOYSA-N 0 0 379.294 4.270 20 5 GIBDRN Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c(OC[C@H]2CCCO2)c1 ZINC000056303252 823124070 /nfs/dbraw/zinc/12/40/70/823124070.db2.gz GSZRNRILEXOWRW-OAHLLOKOSA-N 0 0 395.415 4.195 20 5 GIBDRN CC(=O)N(Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000187748748 823125004 /nfs/dbraw/zinc/12/50/04/823125004.db2.gz CDPCILQVNRYFFO-UHFFFAOYSA-N 0 0 395.459 4.481 20 5 GIBDRN CC(C)(NC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459080046 823125089 /nfs/dbraw/zinc/12/50/89/823125089.db2.gz RQBIVXFYKGPNOY-ZBFHGGJFSA-N 0 0 389.477 4.111 20 5 GIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459080045 823125092 /nfs/dbraw/zinc/12/50/92/823125092.db2.gz RQBIVXFYKGPNOY-HOCLYGCPSA-N 0 0 389.477 4.111 20 5 GIBDRN CN1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc21 ZINC000459078512 823124830 /nfs/dbraw/zinc/12/48/30/823124830.db2.gz AYUWWRSBTQWYAL-HXUWFJFHSA-N 0 0 394.475 4.240 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000187756143 823126590 /nfs/dbraw/zinc/12/65/90/823126590.db2.gz XYLONWUOKVNQNY-SJORKVTESA-N 0 0 398.459 4.143 20 5 GIBDRN O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056323863 823127989 /nfs/dbraw/zinc/12/79/89/823127989.db2.gz IRJSZUWOGNWJMN-UHFFFAOYSA-N 0 0 390.355 4.174 20 5 GIBDRN C[C@H](Oc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1)c1ccccc1 ZINC000571121185 823135527 /nfs/dbraw/zinc/13/55/27/823135527.db2.gz HPLRTKHXSBTPMG-HNNXBMFYSA-N 0 0 377.400 4.406 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)NCCc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000176147388 823135935 /nfs/dbraw/zinc/13/59/35/823135935.db2.gz NOZXWABKPHZTBM-CYBMUJFWSA-N 0 0 390.509 4.260 20 5 GIBDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187839053 823143885 /nfs/dbraw/zinc/14/38/85/823143885.db2.gz WCSDYHGGDRHWCR-UHFFFAOYSA-N 0 0 399.447 4.071 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2sc(CC)nc2C)c1 ZINC000571173329 823144176 /nfs/dbraw/zinc/14/41/76/823144176.db2.gz RVDGDZKXCFWTMD-GFCCVEGCSA-N 0 0 377.466 4.154 20 5 GIBDRN Cc1ccc(Br)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000121236291 823144580 /nfs/dbraw/zinc/14/45/80/823144580.db2.gz MYGYXCUWUBIEGP-UHFFFAOYSA-N 0 0 388.221 4.328 20 5 GIBDRN C[C@@H](CCCc1cccnc1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459210931 823144939 /nfs/dbraw/zinc/14/49/39/823144939.db2.gz LZFNTIWIFJDOQU-INIZCTEOSA-N 0 0 382.464 4.075 20 5 GIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000056381145 823140588 /nfs/dbraw/zinc/14/05/88/823140588.db2.gz ASDOTPUEDHQEKL-NEPJUHHUSA-N 0 0 379.363 4.318 20 5 GIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000571147178 823140674 /nfs/dbraw/zinc/14/06/74/823140674.db2.gz XCDRWLPRHZWUJY-UHFFFAOYSA-N 0 0 390.795 4.017 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000176195544 823149892 /nfs/dbraw/zinc/14/98/92/823149892.db2.gz QZIBAMOQZAZHTM-UHFFFAOYSA-N 0 0 386.314 4.053 20 5 GIBDRN CN(C)c1ccccc1CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000571218410 823150398 /nfs/dbraw/zinc/15/03/98/823150398.db2.gz MIDMUUDJNJAVOB-UHFFFAOYSA-N 0 0 385.467 4.020 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000176203279 823151988 /nfs/dbraw/zinc/15/19/88/823151988.db2.gz RWYIXUZDOSAQNE-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000176222530 823156463 /nfs/dbraw/zinc/15/64/63/823156463.db2.gz BWIVPPXDBVHAOA-UHFFFAOYSA-N 0 0 384.779 4.428 20 5 GIBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000187895632 823154169 /nfs/dbraw/zinc/15/41/69/823154169.db2.gz KEAWYEFVVCDOSS-YJBOKZPZSA-N 0 0 392.521 4.158 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000176213520 823154297 /nfs/dbraw/zinc/15/42/97/823154297.db2.gz YGEIONPUNQIMDY-HXUWFJFHSA-N 0 0 397.431 4.256 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000056459880 823154294 /nfs/dbraw/zinc/15/42/94/823154294.db2.gz ZOGMPWJNIASRIK-HNNXBMFYSA-N 0 0 377.853 4.285 20 5 GIBDRN O=c1c(Br)cn(CC2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000187907152 823156548 /nfs/dbraw/zinc/15/65/48/823156548.db2.gz HSCOJRYZTQNJSU-UHFFFAOYSA-N 0 0 391.265 4.493 20 5 GIBDRN C[C@@H](NC(=O)NCc1cc(F)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000056465585 823155423 /nfs/dbraw/zinc/15/54/23/823155423.db2.gz VCVNSJOGXQNUDG-SNVBAGLBSA-N 0 0 396.216 4.057 20 5 GIBDRN Cc1ccc(NC(=O)COc2cc(Cl)ccc2[N+](=O)[O-])c(Br)c1 ZINC000121293887 823156921 /nfs/dbraw/zinc/15/69/21/823156921.db2.gz QLIQPCZBSRLMQG-UHFFFAOYSA-N 0 0 399.628 4.337 20 5 GIBDRN COc1cccnc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000121311749 823160763 /nfs/dbraw/zinc/16/07/63/823160763.db2.gz NVEBBRZZIOYXKX-UHFFFAOYSA-N 0 0 379.372 4.067 20 5 GIBDRN Cc1ccnc([C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000571295374 823161707 /nfs/dbraw/zinc/16/17/07/823161707.db2.gz WNQXTNISKYZHEC-CYBMUJFWSA-N 0 0 376.254 4.050 20 5 GIBDRN CCCOc1ccc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000121318969 823162381 /nfs/dbraw/zinc/16/23/81/823162381.db2.gz PCQCWPVCQORDRT-HNNXBMFYSA-N 0 0 386.448 4.202 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000176248196 823162702 /nfs/dbraw/zinc/16/27/02/823162702.db2.gz VILNYSRZSGCCML-SWLSCSKDSA-N 0 0 380.853 4.038 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056530353 823162887 /nfs/dbraw/zinc/16/28/87/823162887.db2.gz JQPRDRXLIJKMOK-CQSZACIVSA-N 0 0 379.800 4.054 20 5 GIBDRN Cc1c(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000056546394 823166091 /nfs/dbraw/zinc/16/60/91/823166091.db2.gz PQVHQEYUVVCNAD-QGZVFWFLSA-N 0 0 375.812 4.162 20 5 GIBDRN CS(=O)(=O)c1cc(SCc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000187960654 823164242 /nfs/dbraw/zinc/16/42/42/823164242.db2.gz CCIDYWTWVFEANN-UHFFFAOYSA-N 0 0 375.830 4.083 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000176279361 823170852 /nfs/dbraw/zinc/17/08/52/823170852.db2.gz LHZAYPMRXZACTN-UHFFFAOYSA-N 0 0 377.400 4.468 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176286284 823172729 /nfs/dbraw/zinc/17/27/29/823172729.db2.gz VLMHXAOGBBSOCE-UHFFFAOYSA-N 0 0 381.354 4.454 20 5 GIBDRN Cc1ccc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)o1 ZINC000571386855 823175902 /nfs/dbraw/zinc/17/59/02/823175902.db2.gz IALDMMYOEAKGKJ-UHFFFAOYSA-N 0 0 379.376 4.075 20 5 GIBDRN COc1ccc(C(=O)CCCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000571429348 823181643 /nfs/dbraw/zinc/18/16/43/823181643.db2.gz OGJGAZSQYZXGDD-UHFFFAOYSA-N 0 0 384.432 4.008 20 5 GIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000571464922 823186641 /nfs/dbraw/zinc/18/66/41/823186641.db2.gz OZHIEVRYQHHIDY-UHFFFAOYSA-N 0 0 392.415 4.489 20 5 GIBDRN CCOc1ncccc1-c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000571482264 823189571 /nfs/dbraw/zinc/18/95/71/823189571.db2.gz VEXXXTFVGLLDIJ-UHFFFAOYSA-N 0 0 384.395 4.192 20 5 GIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2cccnc12 ZINC000571541539 823197962 /nfs/dbraw/zinc/19/79/62/823197962.db2.gz MJIWXHVTNPXSDD-UHFFFAOYSA-N 0 0 391.305 4.423 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000188244576 823208507 /nfs/dbraw/zinc/20/85/07/823208507.db2.gz UDGXTLFEKHBMQT-FQEVSTJZSA-N 0 0 396.422 4.110 20 5 GIBDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000188268496 823211735 /nfs/dbraw/zinc/21/17/35/823211735.db2.gz NMKUJNYKEPQZNV-JTQLQIEISA-N 0 0 395.337 4.080 20 5 GIBDRN Cc1c(CC(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000121596774 823213198 /nfs/dbraw/zinc/21/31/98/823213198.db2.gz WLQUSNGEIIHPSS-INIZCTEOSA-N 0 0 393.443 4.379 20 5 GIBDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000188304598 823217057 /nfs/dbraw/zinc/21/70/57/823217057.db2.gz KMSWRLVIXQZHHP-QUCCMNQESA-N 0 0 398.459 4.153 20 5 GIBDRN Cc1cc(Cc2noc(C(C)(C)Cc3nc4ccccc4[nH]3)n2)ccc1[N+](=O)[O-] ZINC000571692427 823219958 /nfs/dbraw/zinc/21/99/58/823219958.db2.gz KOOLHLTWXKDULZ-UHFFFAOYSA-N 0 0 391.431 4.274 20 5 GIBDRN Cc1cc(C)n(Cc2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000176500508 823222704 /nfs/dbraw/zinc/22/27/04/823222704.db2.gz WJHVXCBOYTYGNB-UHFFFAOYSA-N 0 0 392.459 4.122 20 5 GIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000056885318 823227842 /nfs/dbraw/zinc/22/78/42/823227842.db2.gz WPDQXLXBULSPED-UHFFFAOYSA-N 0 0 375.388 4.131 20 5 GIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000121686158 823230427 /nfs/dbraw/zinc/23/04/27/823230427.db2.gz RUTXGWVWESEQOM-CABCVRRESA-N 0 0 393.447 4.210 20 5 GIBDRN Cc1ccc(C(=O)C2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000056889344 823228621 /nfs/dbraw/zinc/22/86/21/823228621.db2.gz UQRUJEKOESTZJG-MRXNPFEDSA-N 0 0 395.459 4.269 20 5 GIBDRN Cc1ccccc1C1(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000056948612 823234078 /nfs/dbraw/zinc/23/40/78/823234078.db2.gz LWAAGHCORWWOPU-QGZVFWFLSA-N 0 0 397.475 4.012 20 5 GIBDRN O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1csc([N+](=O)[O-])c1 ZINC000056979569 823237471 /nfs/dbraw/zinc/23/74/71/823237471.db2.gz QWPIDSQGSUTTJA-UHFFFAOYSA-N 0 0 391.792 4.407 20 5 GIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674578 823248094 /nfs/dbraw/zinc/24/80/94/823248094.db2.gz ZKZQWNLEMCATMQ-HNNXBMFYSA-N 0 0 392.805 4.429 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409563925 823249889 /nfs/dbraw/zinc/24/98/89/823249889.db2.gz UGATTXIJLHIOME-KDOFPFPSSA-N 0 0 392.814 4.124 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057130004 823252669 /nfs/dbraw/zinc/25/26/69/823252669.db2.gz UGSNFZDQRZLIAE-HNNXBMFYSA-N 0 0 381.354 4.430 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1 ZINC000188506599 823252729 /nfs/dbraw/zinc/25/27/29/823252729.db2.gz SGHJRPOEWYTFHE-UHFFFAOYSA-N 0 0 395.415 4.073 20 5 GIBDRN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000176626249 823252009 /nfs/dbraw/zinc/25/20/09/823252009.db2.gz COHLIFZXIZQXKC-UHFFFAOYSA-N 0 0 389.371 4.051 20 5 GIBDRN COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000001284600 817375726 /nfs/dbraw/zinc/37/57/26/817375726.db2.gz ZGIZTFRSKOQBKP-UHFFFAOYSA-N 0 0 399.428 4.053 20 5 GIBDRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000001691740 817377266 /nfs/dbraw/zinc/37/72/66/817377266.db2.gz RTHKVBBKKQDAFT-UHFFFAOYSA-N 0 0 382.441 4.299 20 5 GIBDRN COc1cc(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1Cl ZINC000459756054 823260914 /nfs/dbraw/zinc/26/09/14/823260914.db2.gz NJWNQKURMJPHCV-LLVKDONJSA-N 0 0 393.827 4.095 20 5 GIBDRN C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000057187758 823261358 /nfs/dbraw/zinc/26/13/58/823261358.db2.gz MCWDMIGZJDPUCO-AGRHKRQWSA-N 0 0 387.411 4.014 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)n1C1CC1 ZINC000003386839 817446716 /nfs/dbraw/zinc/44/67/16/817446716.db2.gz DXSICLCCCIYQMK-UHFFFAOYSA-N 0 0 376.796 4.041 20 5 GIBDRN COc1cc(C(=O)OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000003498320 817470620 /nfs/dbraw/zinc/47/06/20/817470620.db2.gz RZYRZQHTIXPLAH-UHFFFAOYSA-N 0 0 386.187 4.276 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003509869 817474100 /nfs/dbraw/zinc/47/41/00/817474100.db2.gz PITNMSLECWSJEJ-UHFFFAOYSA-N 0 0 391.379 4.067 20 5 GIBDRN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003512587 817474949 /nfs/dbraw/zinc/47/49/49/817474949.db2.gz CFMGYZJJPASZPA-UHFFFAOYSA-N 0 0 377.780 4.207 20 5 GIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000003514204 817475550 /nfs/dbraw/zinc/47/55/50/817475550.db2.gz PBQCURDNNVRBOY-VIFPVBQESA-N 0 0 383.187 4.086 20 5 GIBDRN COc1ccccc1-c1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000121871947 823267493 /nfs/dbraw/zinc/26/74/93/823267493.db2.gz UEWBCLWFBOVEOW-UHFFFAOYSA-N 0 0 383.429 4.217 20 5 GIBDRN Cc1cc(C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000004435736 817525768 /nfs/dbraw/zinc/52/57/68/817525768.db2.gz JLCJQLDXYLMMLO-UHFFFAOYSA-N 0 0 396.399 4.003 20 5 GIBDRN CSc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000004797685 817535072 /nfs/dbraw/zinc/53/50/72/817535072.db2.gz PIKZPSFCZMRQCK-UHFFFAOYSA-N 0 0 396.424 4.265 20 5 GIBDRN Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl ZINC000004808448 817535544 /nfs/dbraw/zinc/53/55/44/817535544.db2.gz IMGWHNZXCIQTLS-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2[N+](=O)[O-])C1 ZINC000121886689 823270342 /nfs/dbraw/zinc/27/03/42/823270342.db2.gz GEXUOUOBEIDFQF-AWEZNQCLSA-N 0 0 381.432 4.114 20 5 GIBDRN CCCOc1cc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OCCC ZINC000459892800 823270390 /nfs/dbraw/zinc/27/03/90/823270390.db2.gz HRXLSAIHXGFADM-GHMZBOCLSA-N 0 0 390.358 4.309 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000004846721 817537944 /nfs/dbraw/zinc/53/79/44/817537944.db2.gz PEBMSJHKIDHJCL-LLVKDONJSA-N 0 0 392.205 4.094 20 5 GIBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCOc3c(Br)cccc32)c(Cl)c1 ZINC000409641257 823270847 /nfs/dbraw/zinc/27/08/47/823270847.db2.gz LUPYRNPHJCQQPQ-GFCCVEGCSA-N 0 0 384.617 4.341 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572025925 823271196 /nfs/dbraw/zinc/27/11/96/823271196.db2.gz OTWUXDQIUZPVPX-SNVBAGLBSA-N 0 0 388.330 4.073 20 5 GIBDRN Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000005080041 817549936 /nfs/dbraw/zinc/54/99/36/817549936.db2.gz QVLWQWVIJSXZOL-UHFFFAOYSA-N 0 0 397.214 4.314 20 5 GIBDRN Nc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000005200105 817560365 /nfs/dbraw/zinc/56/03/65/817560365.db2.gz BNGSFSCDZZICSA-UHFFFAOYSA-N 0 0 375.428 4.129 20 5 GIBDRN Cc1ccccc1NC(=O)Cc1nc(COc2ccccc2[N+](=O)[O-])cs1 ZINC000005216484 817562575 /nfs/dbraw/zinc/56/25/75/817562575.db2.gz FFNBCNXEQODZEL-UHFFFAOYSA-N 0 0 383.429 4.120 20 5 GIBDRN COc1ccc(NC(=O)CSC2=Nc3ccccc3CS2)c([N+](=O)[O-])c1 ZINC000005296886 817570299 /nfs/dbraw/zinc/57/02/99/817570299.db2.gz NIPJNRWPOBYWBT-UHFFFAOYSA-N 0 0 389.458 4.210 20 5 GIBDRN CNc1ccc(C(=O)OCc2csc(-c3cccc(OC)c3)n2)cc1[N+](=O)[O-] ZINC000005363840 817577798 /nfs/dbraw/zinc/57/77/98/817577798.db2.gz IPBFNMOCQGMIJU-UHFFFAOYSA-N 0 0 399.428 4.126 20 5 GIBDRN CCCc1sc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1CC ZINC000005364470 817578102 /nfs/dbraw/zinc/57/81/02/817578102.db2.gz MYALSMJLRKEMRB-UHFFFAOYSA-N 0 0 394.424 4.106 20 5 GIBDRN O=C(Cc1ccc(Br)s1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176706241 823273136 /nfs/dbraw/zinc/27/31/36/823273136.db2.gz GRTLGENRHFXIHL-UHFFFAOYSA-N 0 0 392.234 4.148 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000005394433 817579578 /nfs/dbraw/zinc/57/95/78/817579578.db2.gz PSAWBDHSQLHURZ-UHFFFAOYSA-N 0 0 387.395 4.010 20 5 GIBDRN CC[C@H](C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000005465470 817586476 /nfs/dbraw/zinc/58/64/76/817586476.db2.gz QPPXCUCWKKGXRQ-GUYCJALGSA-N 0 0 381.388 4.443 20 5 GIBDRN C[C@@H](OC(=O)/C=C/c1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005465794 817586486 /nfs/dbraw/zinc/58/64/86/817586486.db2.gz LYDSWQPIIFFHAH-SBKJXLNCSA-N 0 0 383.335 4.102 20 5 GIBDRN C[C@@H](OC(=O)CCCOc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005471455 817587389 /nfs/dbraw/zinc/58/73/89/817587389.db2.gz DSJHCSHVYPPWND-CQSZACIVSA-N 0 0 397.387 4.108 20 5 GIBDRN O=C(Cc1csc(-c2ccoc2)n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176708248 823273787 /nfs/dbraw/zinc/27/37/87/823273787.db2.gz IXMJPNAZRIDNOW-UHFFFAOYSA-N 0 0 380.385 4.041 20 5 GIBDRN CC[C@@H](NC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176708063 823273793 /nfs/dbraw/zinc/27/37/93/823273793.db2.gz UZIHRVBAYUHYOS-LJQANCHMSA-N 0 0 398.463 4.350 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Cl ZINC000005484943 817588635 /nfs/dbraw/zinc/58/86/35/817588635.db2.gz GYHMOANPLBGORD-SECBINFHSA-N 0 0 383.187 4.086 20 5 GIBDRN O=C(CCCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000005674315 817607881 /nfs/dbraw/zinc/60/78/81/817607881.db2.gz AINJLENXSJVCGN-UHFFFAOYSA-N 0 0 392.205 4.177 20 5 GIBDRN O=C(COC(=O)Cc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005713725 817611917 /nfs/dbraw/zinc/61/19/17/817611917.db2.gz WSKDJMXJNBKDNI-UHFFFAOYSA-N 0 0 398.802 4.126 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Nc2nnc(-c3ccsc3)s2)cc1[N+](=O)[O-] ZINC000176727735 823278847 /nfs/dbraw/zinc/27/88/47/823278847.db2.gz YZACFEKVYDXQIW-JTQLQIEISA-N 0 0 389.462 4.366 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000176727485 823278869 /nfs/dbraw/zinc/27/88/69/823278869.db2.gz XESJGNZTSGPOMV-BEFAXECRSA-N 0 0 399.447 4.344 20 5 GIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc2ccccc21 ZINC000005737529 817613247 /nfs/dbraw/zinc/61/32/47/817613247.db2.gz HFQCJNSYGNCVRJ-UHFFFAOYSA-N 0 0 375.340 4.155 20 5 GIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000005746157 817614524 /nfs/dbraw/zinc/61/45/24/817614524.db2.gz RCPDNZAOQCOJFM-UHFFFAOYSA-N 0 0 398.596 4.050 20 5 GIBDRN CCCC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005781490 817617167 /nfs/dbraw/zinc/61/71/67/817617167.db2.gz TZDSDHQXXBUYOR-QGZVFWFLSA-N 0 0 376.796 4.271 20 5 GIBDRN Cc1c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121930486 823279334 /nfs/dbraw/zinc/27/93/34/823279334.db2.gz CKJXWSFLVWVPJF-LBPRGKRZSA-N 0 0 375.356 4.092 20 5 GIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000005949382 817631676 /nfs/dbraw/zinc/63/16/76/817631676.db2.gz HKIGHJZOGRNZBM-UHFFFAOYSA-N 0 0 383.326 4.306 20 5 GIBDRN CSc1ccc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000005969082 817633178 /nfs/dbraw/zinc/63/31/78/817633178.db2.gz WJGRBDQRGCSSFD-UHFFFAOYSA-N 0 0 386.473 4.277 20 5 GIBDRN CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057281784 823275539 /nfs/dbraw/zinc/27/55/39/823275539.db2.gz ZFNBGHNLDWHNDB-OAHLLOKOSA-N 0 0 384.432 4.224 20 5 GIBDRN Cc1ccc2c(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1C ZINC000006012716 817640696 /nfs/dbraw/zinc/64/06/96/817640696.db2.gz RIPROCKWVDQYJW-UXBLZVDNSA-N 0 0 379.368 4.075 20 5 GIBDRN CCOc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000409662506 823277035 /nfs/dbraw/zinc/27/70/35/823277035.db2.gz ZVTKXOKWRPGXFA-LSDHHAIUSA-N 0 0 385.420 4.070 20 5 GIBDRN CCCCOc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c(C)c1 ZINC000460037743 823281809 /nfs/dbraw/zinc/28/18/09/823281809.db2.gz UPBVWZZKKZSPKQ-UHFFFAOYSA-N 0 0 376.384 4.482 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000176757932 823285485 /nfs/dbraw/zinc/28/54/85/823285485.db2.gz PKMUDKCSFYMDKT-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(OCCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176739638 823281997 /nfs/dbraw/zinc/28/19/97/823281997.db2.gz MQXZKBDNWQXTOX-INIZCTEOSA-N 0 0 377.485 4.201 20 5 GIBDRN COc1c(Cl)cccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000057362013 823282567 /nfs/dbraw/zinc/28/25/67/823282567.db2.gz ZSSBVLRNAKVESR-UHFFFAOYSA-N 0 0 385.601 4.272 20 5 GIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000460060022 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0 0 399.378 4.099 20 5 GIBDRN O=C(NCCc1ccc(OC(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000015831270 818374859 /nfs/dbraw/zinc/37/48/59/818374859.db2.gz AUDILACSAQYSCO-UHFFFAOYSA-N 0 0 392.383 4.383 20 5 GIBDRN CC(C)c1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000015835265 818375356 /nfs/dbraw/zinc/37/53/56/818375356.db2.gz ZFKLSMQSUZPUBG-UHFFFAOYSA-N 0 0 378.432 4.108 20 5 GIBDRN CCC(CC)n1nccc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122289952 823333178 /nfs/dbraw/zinc/33/31/78/823333178.db2.gz TZCFMKAKFSXILX-UHFFFAOYSA-N 0 0 384.392 4.164 20 5 GIBDRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000188956626 823333759 /nfs/dbraw/zinc/33/37/59/823333759.db2.gz LQTBHEFEQYHXEW-INIZCTEOSA-N 0 0 394.431 4.187 20 5 GIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176956705 823333925 /nfs/dbraw/zinc/33/39/25/823333925.db2.gz HWWPQPAHFHVYMJ-IUODEOHRSA-N 0 0 395.868 4.430 20 5 GIBDRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188957909 823334076 /nfs/dbraw/zinc/33/40/76/823334076.db2.gz LWMRJQAFFQLOGH-KDOFPFPSSA-N 0 0 382.416 4.118 20 5 GIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccoc1 ZINC000057796351 823334091 /nfs/dbraw/zinc/33/40/91/823334091.db2.gz MUJXVBCNBDMSQH-UHFFFAOYSA-N 0 0 386.385 4.345 20 5 GIBDRN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188957929 823334112 /nfs/dbraw/zinc/33/41/12/823334112.db2.gz LWMRJQAFFQLOGH-KSSFIOAISA-N 0 0 382.416 4.118 20 5 GIBDRN Cc1cccc(CCCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000122298838 823334150 /nfs/dbraw/zinc/33/41/50/823334150.db2.gz NYGJUQKYJJBTCU-UHFFFAOYSA-N 0 0 383.429 4.211 20 5 GIBDRN CCOc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000016168392 818399999 /nfs/dbraw/zinc/39/99/99/818399999.db2.gz XMOKLJLWQNENIO-GFCCVEGCSA-N 0 0 376.434 4.121 20 5 GIBDRN CCOc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000016168766 818400631 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4.256 20 5 GIBDRN CSc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000021121739 818655759 /nfs/dbraw/zinc/65/57/59/818655759.db2.gz JSKQYBGJUKYYTB-UHFFFAOYSA-N 0 0 386.351 4.145 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc2cnccc21 ZINC000021220180 818665877 /nfs/dbraw/zinc/66/58/77/818665877.db2.gz BQCXYHPMGJJTPO-UHFFFAOYSA-N 0 0 379.419 4.342 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])ccc1Br ZINC000021389749 818682819 /nfs/dbraw/zinc/68/28/19/818682819.db2.gz YFIASKVRCWJVMA-SNVBAGLBSA-N 0 0 397.200 4.211 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000177036685 823355939 /nfs/dbraw/zinc/35/59/39/823355939.db2.gz DICIHCWDXRKTNA-AWEZNQCLSA-N 0 0 376.416 4.038 20 5 GIBDRN CN1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2cc(Cl)ccc21 ZINC000460331981 823356395 /nfs/dbraw/zinc/35/63/95/823356395.db2.gz XADHYNVOFSSVCR-UHFFFAOYSA-N 0 0 385.807 4.481 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000021615707 818714127 /nfs/dbraw/zinc/71/41/27/818714127.db2.gz KPMUKDXMQVYMFH-LLVKDONJSA-N 0 0 383.231 4.466 20 5 GIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122480197 823360680 /nfs/dbraw/zinc/36/06/80/823360680.db2.gz SEOXYJSBTHYSSD-UHFFFAOYSA-N 0 0 383.448 4.377 20 5 GIBDRN C[C@@H](SCc1ccccc1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355150 823362487 /nfs/dbraw/zinc/36/24/87/823362487.db2.gz VXKVPRIICKHSKM-KUHUBIRLSA-N 0 0 388.514 4.491 20 5 GIBDRN O=C(CCOc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355994 823362665 /nfs/dbraw/zinc/36/26/65/823362665.db2.gz YLLTXUBDGDEKCA-GOSISDBHSA-N 0 0 392.864 4.291 20 5 GIBDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000022161611 818778149 /nfs/dbraw/zinc/77/81/49/818778149.db2.gz WAWAXNIGGWCTAX-LBPRGKRZSA-N 0 0 388.445 4.063 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000022236778 818784402 /nfs/dbraw/zinc/78/44/02/818784402.db2.gz PTXFQRJZQXTNND-CYBMUJFWSA-N 0 0 398.444 4.381 20 5 GIBDRN COc1ccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 ZINC000022253520 818786648 /nfs/dbraw/zinc/78/66/48/818786648.db2.gz AFJOJNOIOYUTHL-UHFFFAOYSA-N 0 0 390.464 4.070 20 5 GIBDRN COc1cccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1 ZINC000022253426 818786662 /nfs/dbraw/zinc/78/66/62/818786662.db2.gz AGQDLKNOTUKLPF-UHFFFAOYSA-N 0 0 390.464 4.070 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccnc1C(F)(F)F ZINC000189142277 823364109 /nfs/dbraw/zinc/36/41/09/823364109.db2.gz WMVKZEDPVVYYST-UHFFFAOYSA-N 0 0 379.216 4.280 20 5 GIBDRN COc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000022465542 818811087 /nfs/dbraw/zinc/81/10/87/818811087.db2.gz ASSZBFUEJZITII-VIFPVBQESA-N 0 0 384.219 4.349 20 5 GIBDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000022547214 818823609 /nfs/dbraw/zinc/82/36/09/818823609.db2.gz MXYHLMXMYWZZKL-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000022667999 818839334 /nfs/dbraw/zinc/83/93/34/818839334.db2.gz OLXFHTDKMSPMIU-LBPRGKRZSA-N 0 0 376.796 4.049 20 5 GIBDRN COC(=O)c1sc(NC(=O)c2cc3ccccc3c3cccnc23)nc1C ZINC000058189852 823367861 /nfs/dbraw/zinc/36/78/61/823367861.db2.gz JQYAATMDAMHDSK-UHFFFAOYSA-N 0 0 377.425 4.192 20 5 GIBDRN CC(C)CCOC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000572609929 823368803 /nfs/dbraw/zinc/36/88/03/823368803.db2.gz BHZCFCJLZTZDCP-UHFFFAOYSA-N 0 0 399.495 4.220 20 5 GIBDRN Cc1noc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000023382300 818930256 /nfs/dbraw/zinc/93/02/56/818930256.db2.gz CABOGMCHFAQJIQ-UHFFFAOYSA-N 0 0 389.751 4.089 20 5 GIBDRN COc1cccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])s3)nc3ccccc32)c1 ZINC000460406200 823378444 /nfs/dbraw/zinc/37/84/44/823378444.db2.gz REJXRRCQRZDILJ-UHFFFAOYSA-N 0 0 394.412 4.256 20 5 GIBDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000023445078 818941704 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GIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1c(F)cccc1Cl ZINC000023820379 818986149 /nfs/dbraw/zinc/98/61/49/818986149.db2.gz YUVNEJXLNNTNOT-UHFFFAOYSA-N 0 0 376.775 4.069 20 5 GIBDRN CC(C)(C(=O)Nc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000460401894 823377651 /nfs/dbraw/zinc/37/76/51/823377651.db2.gz DRIJCIOXCNOORS-UHFFFAOYSA-N 0 0 381.201 4.413 20 5 GIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1F)C1CC1 ZINC000023955309 818997433 /nfs/dbraw/zinc/99/74/33/818997433.db2.gz DILSCKPLQCFKHD-UHFFFAOYSA-N 0 0 383.423 4.139 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024028197 819011218 /nfs/dbraw/zinc/01/12/18/819011218.db2.gz BUSWITYSZPSOEB-UHFFFAOYSA-N 0 0 381.413 4.090 20 5 GIBDRN CCOc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c21 ZINC000189243387 823380857 /nfs/dbraw/zinc/38/08/57/823380857.db2.gz GMLVOSQTJYSXKF-AWEZNQCLSA-N 0 0 381.432 4.203 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC000024231976 819038249 /nfs/dbraw/zinc/03/82/49/819038249.db2.gz JTUNUPKFMWIQJM-UHFFFAOYSA-N 0 0 390.852 4.438 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000024482360 819063049 /nfs/dbraw/zinc/06/30/49/819063049.db2.gz QCEDVFZARGADGM-VQIMIIECSA-N 0 0 398.459 4.288 20 5 GIBDRN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000024540301 819068356 /nfs/dbraw/zinc/06/83/56/819068356.db2.gz NTIFSTQVSKAMSZ-UHFFFAOYSA-N 0 0 382.445 4.128 20 5 GIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(-c2ccc(F)cc2)on1 ZINC000122655638 823388997 /nfs/dbraw/zinc/38/89/97/823388997.db2.gz WCGTYILOSDRZBJ-UHFFFAOYSA-N 0 0 378.319 4.189 20 5 GIBDRN CC[C@H](C)[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2[nH]1 ZINC000410088359 823387552 /nfs/dbraw/zinc/38/75/52/823387552.db2.gz ZPXHPYRJCQSXPN-SGTLLEGYSA-N 0 0 391.431 4.470 20 5 GIBDRN Cn1c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000410096674 823389991 /nfs/dbraw/zinc/38/99/91/823389991.db2.gz 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CCOc1ccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1[N+](=O)[O-] ZINC000058490921 823399031 /nfs/dbraw/zinc/39/90/31/823399031.db2.gz MDSVZMZIRGGTDP-UHFFFAOYSA-N 0 0 399.834 4.327 20 5 GIBDRN COc1cccc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2)c1 ZINC000460480826 823403490 /nfs/dbraw/zinc/40/34/90/823403490.db2.gz SRXJVMLOFGCGPR-UHFFFAOYSA-N 0 0 392.411 4.209 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000460481598 823403719 /nfs/dbraw/zinc/40/37/19/823403719.db2.gz UQSMACFXHBIZIB-CVEARBPZSA-N 0 0 378.350 4.076 20 5 GIBDRN Cc1ccc([C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000410145797 823401141 /nfs/dbraw/zinc/40/11/41/823401141.db2.gz OZWIRVSSNLBAAG-OAQYLSRUSA-N 0 0 375.428 4.492 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000410145740 823401285 /nfs/dbraw/zinc/40/12/85/823401285.db2.gz OFOICZJQRPTJDG-FQEVSTJZSA-N 0 0 375.428 4.378 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1ccccc1 ZINC000410145741 823401288 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CCNc1ccc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000460602433 823451665 /nfs/dbraw/zinc/45/16/65/823451665.db2.gz CRCPMQQMUJWQTL-HRAATJIYSA-N 0 0 397.475 4.246 20 5 GIBDRN CCCCSc1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000026409654 820094334 /nfs/dbraw/zinc/09/43/34/820094334.db2.gz PKHMIMUSNHSFOV-UHFFFAOYSA-N 0 0 398.535 4.459 20 5 GIBDRN Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000026414058 820094788 /nfs/dbraw/zinc/09/47/88/820094788.db2.gz FVJSLEZMKRIICP-UHFFFAOYSA-N 0 0 375.222 4.336 20 5 GIBDRN O=C(OCc1ccccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CC1 ZINC000026432082 820095651 /nfs/dbraw/zinc/09/56/51/820095651.db2.gz LZNSKCDZYQSTJZ-UHFFFAOYSA-N 0 0 376.206 4.132 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000410293580 823452486 /nfs/dbraw/zinc/45/24/86/823452486.db2.gz WASRVRHBXXCFFM-QWHCGFSZSA-N 0 0 392.814 4.171 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026640390 820126305 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399.447 4.201 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2coc(-c3ccccc3)n2)cc1OC ZINC000028174620 820315772 /nfs/dbraw/zinc/31/57/72/820315772.db2.gz WHPRGRSUBYNKHA-UHFFFAOYSA-N 0 0 398.371 4.014 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)C1CCC1)c1ccccc1 ZINC000028300534 820323446 /nfs/dbraw/zinc/32/34/46/820323446.db2.gz CJVCSDXWZXMDDS-QGZVFWFLSA-N 0 0 388.807 4.271 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028423874 820335132 /nfs/dbraw/zinc/33/51/32/820335132.db2.gz GOEFAXCJVUWIFP-JTQLQIEISA-N 0 0 397.214 4.394 20 5 GIBDRN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1[C@@H]1CCCO1 ZINC000573251455 823470876 /nfs/dbraw/zinc/47/08/76/823470876.db2.gz NJJQXGGZKCRKFX-KBPBESRZSA-N 0 0 387.358 4.035 20 5 GIBDRN O=[N+]([O-])c1cc(CSc2nc3ccccc3n2C(F)F)c2c(c1)COCO2 ZINC000028452498 820337733 /nfs/dbraw/zinc/33/77/33/820337733.db2.gz XFFNTPUJZOMBPV-UHFFFAOYSA-N 0 0 393.371 4.498 20 5 GIBDRN COc1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000028467253 820338379 /nfs/dbraw/zinc/33/83/79/820338379.db2.gz INYPPUADTMMKAI-GJZGRUSLSA-N 0 0 383.448 4.338 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000460668504 823472263 /nfs/dbraw/zinc/47/22/63/823472263.db2.gz KQHVUPFDMWDJQF-UHFFFAOYSA-N 0 0 399.353 4.299 20 5 GIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189678572 823473534 /nfs/dbraw/zinc/47/35/34/823473534.db2.gz BSOXPVABBKFYIF-IBGZPJMESA-N 0 0 391.431 4.056 20 5 GIBDRN COC(=O)/C=C/c1ccc(Oc2ccc(Br)cc2F)c([N+](=O)[O-])c1 ZINC000029068206 820388699 /nfs/dbraw/zinc/38/86/99/820388699.db2.gz IZHPYUKRNONYRL-XVNBXDOJSA-N 0 0 396.168 4.475 20 5 GIBDRN COc1ccc([C@@H](C)N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000029105599 820393406 /nfs/dbraw/zinc/39/34/06/820393406.db2.gz GUCGRYCYSQZRLD-MRXNPFEDSA-N 0 0 397.475 4.039 20 5 GIBDRN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC000029111224 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382.445 4.198 20 5 GIBDRN CC(C)c1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000029270679 820424953 /nfs/dbraw/zinc/42/49/53/820424953.db2.gz VMZYCHSCTGLFJF-UHFFFAOYSA-N 0 0 376.796 4.167 20 5 GIBDRN COc1ccc(C[C@@H](C)CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000123235844 823483072 /nfs/dbraw/zinc/48/30/72/823483072.db2.gz UEVIGGCWNCZNAB-CYBMUJFWSA-N 0 0 376.840 4.208 20 5 GIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC000029298751 820431485 /nfs/dbraw/zinc/43/14/85/820431485.db2.gz QJWCFNXBJQNMTL-UHFFFAOYSA-N 0 0 396.424 4.286 20 5 GIBDRN COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000029396490 820449500 /nfs/dbraw/zinc/44/95/00/820449500.db2.gz BOPZBJVVBLHSRW-LBPRGKRZSA-N 0 0 377.828 4.313 20 5 GIBDRN Cc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000029422960 820453255 /nfs/dbraw/zinc/45/32/55/820453255.db2.gz IRJLFVLLQJYBJQ-UHFFFAOYSA-N 0 0 397.431 4.296 20 5 GIBDRN COC(=O)c1c(C2CC2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000177519547 823481110 /nfs/dbraw/zinc/48/11/10/823481110.db2.gz CMCYYGLZLMXTKE-UHFFFAOYSA-N 0 0 380.809 4.226 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000123229029 823481915 /nfs/dbraw/zinc/48/19/15/823481915.db2.gz QGNXIMWAPLYKGG-QAPCUYQASA-N 0 0 392.814 4.116 20 5 GIBDRN O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029635818 820488893 /nfs/dbraw/zinc/48/88/93/820488893.db2.gz NMAYZEXEAKKMDS-UHFFFAOYSA-N 0 0 394.884 4.333 20 5 GIBDRN COc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)cs2)cc1OC ZINC000059011693 823482948 /nfs/dbraw/zinc/48/29/48/823482948.db2.gz HBSVUUWIDUYASG-UHFFFAOYSA-N 0 0 390.392 4.454 20 5 GIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(F)c1 ZINC000059011786 823482957 /nfs/dbraw/zinc/48/29/57/823482957.db2.gz KEPYZDZIUHAFOC-UHFFFAOYSA-N 0 0 383.257 4.382 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189758546 823489393 /nfs/dbraw/zinc/48/93/93/823489393.db2.gz 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000030332801 820602278 /nfs/dbraw/zinc/60/22/78/820602278.db2.gz LGZMWFGRFVAEPG-UHFFFAOYSA-N 0 0 389.260 4.031 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000030471353 820619512 /nfs/dbraw/zinc/61/95/12/820619512.db2.gz LEKXRINFXWVYJG-CQSZACIVSA-N 0 0 386.429 4.490 20 5 GIBDRN CCCOc1cccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000030494729 820623273 /nfs/dbraw/zinc/62/32/73/820623273.db2.gz APSXFNXFHHAKPY-GFCCVEGCSA-N 0 0 377.828 4.476 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000410421266 823492271 /nfs/dbraw/zinc/49/22/71/823492271.db2.gz LLBXCXPFFPENLT-UHFFFAOYSA-N 0 0 392.293 4.224 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000177566919 823492858 /nfs/dbraw/zinc/49/28/58/823492858.db2.gz TYLSOFWXVVXYPK-UHFFFAOYSA-N 0 0 399.497 4.413 20 5 GIBDRN C[C@@H](Nc1ccccc1OCC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000123302127 823492977 /nfs/dbraw/zinc/49/29/77/823492977.db2.gz MOFHWVKLOMBWPU-SNVBAGLBSA-N 0 0 399.781 4.331 20 5 GIBDRN O=C(Nc1ccccc1)c1ccccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000059408793 823495585 /nfs/dbraw/zinc/49/55/85/823495585.db2.gz LRLZDKPDFXTWPN-UHFFFAOYSA-N 0 0 378.384 4.305 20 5 GIBDRN CC1(C)C(=O)Nc2cc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)ccc21 ZINC000410438327 823495700 /nfs/dbraw/zinc/49/57/00/823495700.db2.gz DUNIJAARSIAZDD-UHFFFAOYSA-N 0 0 393.443 4.414 20 5 GIBDRN Cc1cccc(C(=O)NCc2cccc(OCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000059411187 823495794 /nfs/dbraw/zinc/49/57/94/823495794.db2.gz FLVNREFERONEBH-UHFFFAOYSA-N 0 0 376.412 4.412 20 5 GIBDRN Cc1ccc(C)c(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000059423275 823496217 /nfs/dbraw/zinc/49/62/17/823496217.db2.gz RMKWAHDVDYAUHA-UHFFFAOYSA-N 0 0 392.253 4.049 20 5 GIBDRN O=C(c1ccnc(OC(F)F)c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000410448780 823496725 /nfs/dbraw/zinc/49/67/25/823496725.db2.gz SJLRZMWMPGBJIF-UHFFFAOYSA-N 0 0 377.347 4.181 20 5 GIBDRN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410467853 823497808 /nfs/dbraw/zinc/49/78/08/823497808.db2.gz LDTMLMZVFYRMKC-PXAZEXFGSA-N 0 0 394.349 4.216 20 5 GIBDRN CCOc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000030919227 820708899 /nfs/dbraw/zinc/70/88/99/820708899.db2.gz OGCPYQLWOLVZMX-UHFFFAOYSA-N 0 0 398.337 4.164 20 5 GIBDRN Cc1cccn2cc(-c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)nc12 ZINC000460735723 823499562 /nfs/dbraw/zinc/49/95/62/823499562.db2.gz ZRXIIOHBZSORJG-UHFFFAOYSA-N 0 0 386.411 4.399 20 5 GIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000059811868 823499591 /nfs/dbraw/zinc/49/95/91/823499591.db2.gz CPJKUSBWEMFVEQ-UHFFFAOYSA-N 0 0 383.231 4.329 20 5 GIBDRN COC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(F)cc1F ZINC000031028384 820723920 /nfs/dbraw/zinc/72/39/20/820723920.db2.gz VNCCSYOJRJBDKY-UHFFFAOYSA-N 0 0 392.358 4.209 20 5 GIBDRN CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000410588643 823505551 /nfs/dbraw/zinc/50/55/51/823505551.db2.gz XPWQEGZTJXDAKZ-OAHLLOKOSA-N 0 0 378.322 4.080 20 5 GIBDRN Cc1cnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)s1 ZINC000410524934 823501388 /nfs/dbraw/zinc/50/13/88/823501388.db2.gz FVMZDQMSLNCALT-CYBMUJFWSA-N 0 0 385.367 4.260 20 5 GIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410536658 823502533 /nfs/dbraw/zinc/50/25/33/823502533.db2.gz CHGMMZHAZXZBJR-UHFFFAOYSA-N 0 0 398.459 4.395 20 5 GIBDRN CCOc1ncccc1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000031324118 820792804 /nfs/dbraw/zinc/79/28/04/820792804.db2.gz WPIVZYBKUKTPMQ-UHFFFAOYSA-N 0 0 392.415 4.062 20 5 GIBDRN CC(C)c1nc2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc2o1 ZINC000031378625 820800442 /nfs/dbraw/zinc/80/04/42/820800442.db2.gz ZSRQUZFBDMSXSI-UHFFFAOYSA-N 0 0 391.387 4.297 20 5 GIBDRN Cc1cc(-n2cccn2)ccc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189829850 823503176 /nfs/dbraw/zinc/50/31/76/823503176.db2.gz DJOSDEMQGDEURZ-AWEZNQCLSA-N 0 0 390.403 4.312 20 5 GIBDRN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000031395560 820803388 /nfs/dbraw/zinc/80/33/88/820803388.db2.gz MQPSRMMHSIBDLK-NSHDSACASA-N 0 0 387.823 4.088 20 5 GIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000460748399 823503403 /nfs/dbraw/zinc/50/34/03/823503403.db2.gz XEJNGMSEMBWJNC-UHFFFAOYSA-N 0 0 375.428 4.243 20 5 GIBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410552659 823503637 /nfs/dbraw/zinc/50/36/37/823503637.db2.gz CVQAFFGBTMKQCM-LBPRGKRZSA-N 0 0 384.276 4.465 20 5 GIBDRN COc1cc(C(=O)Nc2ccccc2N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000123411062 823506743 /nfs/dbraw/zinc/50/67/43/823506743.db2.gz MHDQMXXJPSDTRL-UHFFFAOYSA-N 0 0 399.447 4.245 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(OC2CCCCC2)CC1 ZINC000123412920 823507006 /nfs/dbraw/zinc/50/70/06/823507006.db2.gz ZZCPOTANMDCGDA-UHFFFAOYSA-N 0 0 378.494 4.027 20 5 GIBDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410743049 823511982 /nfs/dbraw/zinc/51/19/82/823511982.db2.gz JDVRJOXRHDJVQN-NSHDSACASA-N 0 0 384.276 4.417 20 5 GIBDRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)ccc1OC1CCCC1 ZINC000123446749 823509717 /nfs/dbraw/zinc/50/97/17/823509717.db2.gz DGEKWRDNUQJYIZ-UHFFFAOYSA-N 0 0 392.358 4.455 20 5 GIBDRN CCNc1nc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2ccccc21 ZINC000031766316 820856565 /nfs/dbraw/zinc/85/65/65/820856565.db2.gz PXJQKAQIEQJIBB-UHFFFAOYSA-N 0 0 397.460 4.009 20 5 GIBDRN O=C(NCc1ccc(CN2CCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] ZINC000031819741 820865343 /nfs/dbraw/zinc/86/53/43/820865343.db2.gz QEHOHQPRCVLORW-UHFFFAOYSA-N 0 0 387.439 4.088 20 5 GIBDRN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cccc([N+](=O)[O-])c1 ZINC000031826401 820866148 /nfs/dbraw/zinc/86/61/48/820866148.db2.gz PPWXDEDOZISCEC-UHFFFAOYSA-N 0 0 397.334 4.398 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(COc2ccccc2)cc1 ZINC000031930090 820876100 /nfs/dbraw/zinc/87/61/00/820876100.db2.gz XRHMAIJWZAVAPJ-UHFFFAOYSA-N 0 0 376.412 4.446 20 5 GIBDRN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc([N+](=O)[O-])cc1F ZINC000060190591 823511257 /nfs/dbraw/zinc/51/12/57/823511257.db2.gz HPZBIBIXUMQIQT-UHFFFAOYSA-N 0 0 396.403 4.291 20 5 GIBDRN Cc1sc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] ZINC000032081642 820895196 /nfs/dbraw/zinc/89/51/96/820895196.db2.gz RJDDXDKWXVNBDZ-UHFFFAOYSA-N 0 0 389.414 4.069 20 5 GIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H](C)c1ccco1 ZINC000460793910 823514089 /nfs/dbraw/zinc/51/40/89/823514089.db2.gz MQCYMOJJASHJTQ-HNNXBMFYSA-N 0 0 399.451 4.070 20 5 GIBDRN CC(C)(C)C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032380765 820929830 /nfs/dbraw/zinc/92/98/30/820929830.db2.gz SOGXHQYHFWZIOI-KRWDZBQOSA-N 0 0 393.447 4.083 20 5 GIBDRN CCCN(C(=O)c1ccc(NC(=O)C(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000410821127 823516789 /nfs/dbraw/zinc/51/67/89/823516789.db2.gz ISWSALXCGWKHBV-UHFFFAOYSA-N 0 0 384.436 4.031 20 5 GIBDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032676412 820988044 /nfs/dbraw/zinc/98/80/44/820988044.db2.gz VYWZMZBDXHYKKB-MRXNPFEDSA-N 0 0 391.427 4.368 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(Cc3ccccc3Br)CC2)c1 ZINC000410925573 823522496 /nfs/dbraw/zinc/52/24/96/823522496.db2.gz MTIFPXFXDPJKBM-UHFFFAOYSA-N 0 0 389.249 4.171 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Sc2nncs2)cc1 ZINC000123572229 823522629 /nfs/dbraw/zinc/52/26/29/823522629.db2.gz DNEGIJWFEVMWRG-UHFFFAOYSA-N 0 0 386.458 4.169 20 5 GIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cc2ccccc2o1 ZINC000033159988 821040779 /nfs/dbraw/zinc/04/07/79/821040779.db2.gz VHSLWXDDYOQDKY-ZDUSSCGKSA-N 0 0 376.372 4.018 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2cc(Cl)ccc2C)cc1OC ZINC000410980271 823527842 /nfs/dbraw/zinc/52/78/42/823527842.db2.gz NQLPVZPZBMPBFS-UHFFFAOYSA-N 0 0 378.812 4.241 20 5 GIBDRN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033909701 821061125 /nfs/dbraw/zinc/06/11/25/821061125.db2.gz FFTPSNPYLIPFDZ-RGWZVXDZSA-N 0 0 399.746 4.057 20 5 GIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CC1CCC1)CC(F)(F)F ZINC000123663234 823530068 /nfs/dbraw/zinc/53/00/68/823530068.db2.gz YSQLTWRZJVNGJE-UHFFFAOYSA-N 0 0 395.175 4.162 20 5 GIBDRN CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177811945 823529000 /nfs/dbraw/zinc/52/90/00/823529000.db2.gz JFKFYRXDUJINCD-GOSISDBHSA-N 0 0 381.436 4.110 20 5 GIBDRN CCn1ncc2ccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc21 ZINC000123611578 823525480 /nfs/dbraw/zinc/52/54/80/823525480.db2.gz UYVUAYOMLBFQAO-UHFFFAOYSA-N 0 0 379.420 4.161 20 5 GIBDRN COc1cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc([N+](=O)[O-])c1C ZINC000190018459 823526597 /nfs/dbraw/zinc/52/65/97/823526597.db2.gz FZCGIIAELGAGSV-UHFFFAOYSA-N 0 0 398.337 4.414 20 5 GIBDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000123728289 823535463 /nfs/dbraw/zinc/53/54/63/823535463.db2.gz XKENLOXTHNFIBM-LLVKDONJSA-N 0 0 395.228 4.248 20 5 GIBDRN CCn1c(SCCC(=O)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123696164 823532768 /nfs/dbraw/zinc/53/27/68/823532768.db2.gz PSZVTQMCMNUILR-UHFFFAOYSA-N 0 0 382.445 4.238 20 5 GIBDRN COc1ccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000060482341 823533014 /nfs/dbraw/zinc/53/30/14/823533014.db2.gz ZVYYNLQHCKHXEI-UHFFFAOYSA-N 0 0 388.851 4.352 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cc(F)ccc2Br)cc1[N+](=O)[O-] ZINC000177834905 823533471 /nfs/dbraw/zinc/53/34/71/823533471.db2.gz FVJGKXPOSMBNJP-JTQLQIEISA-N 0 0 381.201 4.296 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000177836309 823533995 /nfs/dbraw/zinc/53/39/95/823533995.db2.gz PXRVOXHQGIRMTK-JTQLQIEISA-N 0 0 383.267 4.147 20 5 GIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000460875152 823534057 /nfs/dbraw/zinc/53/40/57/823534057.db2.gz ZPXKLJYVUZEORH-WMQCIHAUSA-N 0 0 382.460 4.200 20 5 GIBDRN CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060497506 823534828 /nfs/dbraw/zinc/53/48/28/823534828.db2.gz GCZAKCQRBQQDIR-UHFFFAOYSA-N 0 0 388.898 4.137 20 5 GIBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177854768 823536803 /nfs/dbraw/zinc/53/68/03/823536803.db2.gz NHIAXRZVRZQHDL-OAHLLOKOSA-N 0 0 392.459 4.126 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177864386 823538381 /nfs/dbraw/zinc/53/83/81/823538381.db2.gz COXCWRYQTIHISJ-VFNWGFHPSA-N 0 0 393.443 4.045 20 5 GIBDRN CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)CC1 ZINC000460902553 823539107 /nfs/dbraw/zinc/53/91/07/823539107.db2.gz YQSVOELNBOOKLT-LPHOPBHVSA-N 0 0 399.495 4.049 20 5 GIBDRN COc1ccc(C(=O)CCCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000177871222 823539153 /nfs/dbraw/zinc/53/91/53/823539153.db2.gz FBHZPYMEIPBJSH-HNNXBMFYSA-N 0 0 384.432 4.142 20 5 GIBDRN Cc1ccsc1CN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000060533439 823539160 /nfs/dbraw/zinc/53/91/60/823539160.db2.gz LKSFLQVCGDAJRU-UHFFFAOYSA-N 0 0 387.505 4.473 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1[N+](=O)[O-] ZINC000177873741 823539540 /nfs/dbraw/zinc/53/95/40/823539540.db2.gz MVEKVHFMJIRWMX-HNNXBMFYSA-N 0 0 390.443 4.457 20 5 GIBDRN C[C@H](NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177874032 823539543 /nfs/dbraw/zinc/53/95/43/823539543.db2.gz WQYUCVCZSKPTSO-HRAATJIYSA-N 0 0 397.475 4.127 20 5 GIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCc2c(F)c(F)c(F)cc21 ZINC000411061536 823539841 /nfs/dbraw/zinc/53/98/41/823539841.db2.gz MJLUCGMLCUPOTM-UHFFFAOYSA-N 0 0 380.322 4.004 20 5 GIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])cc1F ZINC000042097178 821265001 /nfs/dbraw/zinc/26/50/01/821265001.db2.gz MXRYQBPYLJOSFW-UHFFFAOYSA-N 0 0 394.815 4.246 20 5 GIBDRN Cc1c(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cccc1[N+](=O)[O-] ZINC000042153920 821275870 /nfs/dbraw/zinc/27/58/70/821275870.db2.gz GJPFVUDNBAXTDX-INIZCTEOSA-N 0 0 385.401 4.091 20 5 GIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000042786430 821332520 /nfs/dbraw/zinc/33/25/20/821332520.db2.gz QJIBPQUQLCGCJV-CYBMUJFWSA-N 0 0 394.374 4.151 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccccc1Br ZINC000043127083 821364270 /nfs/dbraw/zinc/36/42/70/821364270.db2.gz ZXHNPEJRKGSKJS-UHFFFAOYSA-N 0 0 394.225 4.030 20 5 GIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000043148262 821368360 /nfs/dbraw/zinc/36/83/60/821368360.db2.gz TZDICDYBUFTDAU-QGZVFWFLSA-N 0 0 385.420 4.289 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000043149142 821368544 /nfs/dbraw/zinc/36/85/44/821368544.db2.gz IOPADJLSYBMXJW-HNNXBMFYSA-N 0 0 375.450 4.178 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Br)s1 ZINC000043149155 821368785 /nfs/dbraw/zinc/36/87/85/821368785.db2.gz ZUSCARKIHKQDPA-UHFFFAOYSA-N 0 0 384.255 4.391 20 5 GIBDRN O=C(c1cccc(Br)c1Cl)N1CCc2c1cccc2[N+](=O)[O-] ZINC000180665415 821387929 /nfs/dbraw/zinc/38/79/29/821387929.db2.gz QSIHPUHYGFFHNG-UHFFFAOYSA-N 0 0 381.613 4.214 20 5 GIBDRN Cc1csc2nc(CS[C@H](C)c3cc([N+](=O)[O-])ccc3C)cc(=O)n12 ZINC000180683696 821394197 /nfs/dbraw/zinc/39/41/97/821394197.db2.gz XDWWYKCCRQVSHD-GFCCVEGCSA-N 0 0 375.475 4.275 20 5 GIBDRN Cc1c(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000043347945 821396127 /nfs/dbraw/zinc/39/61/27/821396127.db2.gz FZHZVEHRRGGCNJ-QGZVFWFLSA-N 0 0 383.404 4.043 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc21 ZINC000180748114 821431423 /nfs/dbraw/zinc/43/14/23/821431423.db2.gz AJBBFCCCZGDDGF-UHFFFAOYSA-N 0 0 394.431 4.023 20 5 GIBDRN O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)(F)F)c2ncccc12 ZINC000043782774 821457924 /nfs/dbraw/zinc/45/79/24/821457924.db2.gz NHOFPIQPAGKBIN-UHFFFAOYSA-N 0 0 378.310 4.091 20 5 GIBDRN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180809138 821470916 /nfs/dbraw/zinc/47/09/16/821470916.db2.gz VUNYXWSESUCPLS-CYBMUJFWSA-N 0 0 396.534 4.187 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000180871411 821504710 /nfs/dbraw/zinc/50/47/10/821504710.db2.gz FDUJANLUEAYGAU-UHFFFAOYSA-N 0 0 399.737 4.060 20 5 GIBDRN COc1cc(C(=O)N(C)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000180904419 821527736 /nfs/dbraw/zinc/52/77/36/821527736.db2.gz JKXTXCWSVKXINA-UHFFFAOYSA-N 0 0 385.203 4.195 20 5 GIBDRN COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000180914089 821534167 /nfs/dbraw/zinc/53/41/67/821534167.db2.gz NTTXLOPERRQXIG-GOSISDBHSA-N 0 0 398.802 4.046 20 5 GIBDRN CCn1c(NC(=O)c2csc([N+](=O)[O-])c2)nc2ccc(Br)cc21 ZINC000180916002 821535986 /nfs/dbraw/zinc/53/59/86/821535986.db2.gz KSEMPYPKZGQBRJ-UHFFFAOYSA-N 0 0 395.238 4.041 20 5 GIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2cccnc12 ZINC000180917841 821537346 /nfs/dbraw/zinc/53/73/46/821537346.db2.gz SXXFIUNJGAASTD-UHFFFAOYSA-N 0 0 389.314 4.005 20 5 GIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000044547801 821605997 /nfs/dbraw/zinc/60/59/97/821605997.db2.gz SFXHBLIAYREKRS-ZDUSSCGKSA-N 0 0 387.461 4.371 20 5 GIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000044625582 821626619 /nfs/dbraw/zinc/62/66/19/821626619.db2.gz QWHBQBWQCPYUEF-GFCCVEGCSA-N 0 0 390.465 4.021 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000181116274 821642071 /nfs/dbraw/zinc/64/20/71/821642071.db2.gz DNPNRMDVCKFPKT-WBVHZDCISA-N 0 0 393.802 4.347 20 5 GIBDRN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000044707481 821647932 /nfs/dbraw/zinc/64/79/32/821647932.db2.gz RIUWUAJRQSMLBA-ZDUSSCGKSA-N 0 0 393.390 4.266 20 5 GIBDRN Cc1c(COc2ccccc2)cccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181150395 821664978 /nfs/dbraw/zinc/66/49/78/821664978.db2.gz CYVWNIBFQXZAPB-UHFFFAOYSA-N 0 0 377.400 4.317 20 5 GIBDRN O=[N+]([O-])c1cccc([C@@H](Nc2cnn(Cc3ccccn3)c2)c2ccccc2)c1 ZINC000181167653 821675614 /nfs/dbraw/zinc/67/56/14/821675614.db2.gz DPYICYVJUFUPJE-QFIPXVFZSA-N 0 0 385.427 4.436 20 5 GIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000044884790 821676793 /nfs/dbraw/zinc/67/67/93/821676793.db2.gz MXJLPKSUFSSECG-KRWDZBQOSA-N 0 0 395.459 4.011 20 5 GIBDRN Cc1cc2oc(=O)cc(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2cc1C(C)C ZINC000045021936 821693306 /nfs/dbraw/zinc/69/33/06/821693306.db2.gz UFPWJGGYTWPSBQ-UHFFFAOYSA-N 0 0 394.383 4.089 20 5 GIBDRN CCOc1ccc([C@@H](C)NCc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000181311286 821749668 /nfs/dbraw/zinc/74/96/68/821749668.db2.gz ABXFUXLFIRMTFB-CYBMUJFWSA-N 0 0 384.461 4.363 20 5 GIBDRN CCOc1cc(C(=O)Nc2ncccc2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000181418768 821816485 /nfs/dbraw/zinc/81/64/85/821816485.db2.gz BKQYHYXJNIFFEW-UHFFFAOYSA-N 0 0 393.399 4.316 20 5 GIBDRN Cc1cc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000181467197 821840002 /nfs/dbraw/zinc/84/00/02/821840002.db2.gz FSWRZQMHPYSTRA-UHFFFAOYSA-N 0 0 375.388 4.356 20 5 GIBDRN COCCc1ccc2oc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)nc2c1 ZINC000181869397 822021585 /nfs/dbraw/zinc/02/15/85/822021585.db2.gz HRHMLFVTDGOAIN-UHFFFAOYSA-N 0 0 393.346 4.138 20 5 GIBDRN Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000181956933 822045800 /nfs/dbraw/zinc/04/58/00/822045800.db2.gz GFZWEDRCZQWLMN-UHFFFAOYSA-N 0 0 390.321 4.266 20 5 GIBDRN CC(=O)Nc1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182027724 822067243 /nfs/dbraw/zinc/06/72/43/822067243.db2.gz MRXXBMRPCXBVPP-UHFFFAOYSA-N 0 0 393.852 4.246 20 5 GIBDRN COc1ccc([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1Br ZINC000182072311 822082310 /nfs/dbraw/zinc/08/23/10/822082310.db2.gz IZJFVQBZNMJOTN-JTQLQIEISA-N 0 0 383.217 4.356 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000182143981 822115729 /nfs/dbraw/zinc/11/57/29/822115729.db2.gz DFVUKOPRAMDGFR-UHFFFAOYSA-N 0 0 378.460 4.149 20 5 GIBDRN CC(C)c1ccccc1OC[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000182307044 822196703 /nfs/dbraw/zinc/19/67/03/822196703.db2.gz JDBWCBXYBUEJEZ-QGZVFWFLSA-N 0 0 381.432 4.022 20 5 GIBDRN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182342926 822208503 /nfs/dbraw/zinc/20/85/03/822208503.db2.gz PMNGZTKGZBZDOO-UHFFFAOYSA-N 0 0 375.856 4.326 20 5 GIBDRN C[C@H](C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000182356182 822213428 /nfs/dbraw/zinc/21/34/28/822213428.db2.gz REROHZBDGLZGAL-ZFWWWQNUSA-N 0 0 392.452 4.107 20 5 GIBDRN C[C@H](C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000182356217 822213698 /nfs/dbraw/zinc/21/36/98/822213698.db2.gz REROHZBDGLZGAL-DZGCQCFKSA-N 0 0 392.452 4.107 20 5 GIBDRN CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 ZINC000182369111 822218142 /nfs/dbraw/zinc/21/81/42/822218142.db2.gz ZYRXAPHSIFPHSB-HIFRSBDPSA-N 0 0 375.450 4.252 20 5 GIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000182402399 822231238 /nfs/dbraw/zinc/23/12/38/822231238.db2.gz GWIYEVCGEYXSEJ-UHFFFAOYSA-N 0 0 387.395 4.010 20 5 GIBDRN C[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000182457005 822249440 /nfs/dbraw/zinc/24/94/40/822249440.db2.gz UIFPVJFFUIDSPL-SNVBAGLBSA-N 0 0 386.301 4.052 20 5 GIBDRN Cn1nc(C2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182468065 822254771 /nfs/dbraw/zinc/25/47/71/822254771.db2.gz JFGNJEYKPMUIDP-UHFFFAOYSA-N 0 0 394.378 4.230 20 5 GIBDRN CCn1c2ccc(C)cc2nc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182496937 822267784 /nfs/dbraw/zinc/26/77/84/822267784.db2.gz BQJIOJDNFJRORQ-UHFFFAOYSA-N 0 0 375.388 4.073 20 5 GIBDRN C[C@@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182508979 822274395 /nfs/dbraw/zinc/27/43/95/822274395.db2.gz BUNVLLYABCFFHB-CYBMUJFWSA-N 0 0 396.422 4.120 20 5 GIBDRN COc1cc(CNc2ccc(C(C)=O)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182537569 822289764 /nfs/dbraw/zinc/28/97/64/822289764.db2.gz AMGCGYHWLHYLLZ-UHFFFAOYSA-N 0 0 394.374 4.370 20 5 GIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000178062335 822305543 /nfs/dbraw/zinc/30/55/43/822305543.db2.gz IAHKGGZOOTZVJF-SNVBAGLBSA-N 0 0 396.230 4.026 20 5 GIBDRN CCS[C@H](C)c1noc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000178082813 822312758 /nfs/dbraw/zinc/31/27/58/822312758.db2.gz MZUWXMHLANOHFL-MRVPVSSYSA-N 0 0 377.344 4.390 20 5 GIBDRN CC[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000182691455 822352509 /nfs/dbraw/zinc/35/25/09/822352509.db2.gz IORKOIXSQRSYBT-HXUWFJFHSA-N 0 0 393.447 4.039 20 5 GIBDRN O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc(Br)o3)no2)cc1 ZINC000178264127 822360663 /nfs/dbraw/zinc/36/06/63/822360663.db2.gz AMRXWZFLZUVVTA-UHFFFAOYSA-N 0 0 393.197 4.045 20 5 GIBDRN C[C@@H](C(=O)N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182761772 822363814 /nfs/dbraw/zinc/36/38/14/822363814.db2.gz UEYRMFZQHLYERF-MNOVXSKESA-N 0 0 382.338 4.316 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000045197015 822369895 /nfs/dbraw/zinc/36/98/95/822369895.db2.gz JPSBEZPFDLKEJM-UHFFFAOYSA-N 0 0 389.249 4.091 20 5 GIBDRN C[C@H](C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C1CC1 ZINC000178377592 822373019 /nfs/dbraw/zinc/37/30/19/822373019.db2.gz UJMRWCMKAUXXRM-NSHDSACASA-N 0 0 388.807 4.452 20 5 GIBDRN CCC[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000182831127 822374504 /nfs/dbraw/zinc/37/45/04/822374504.db2.gz VLZQQLFCWGPOCY-IBGZPJMESA-N 0 0 389.477 4.088 20 5 GIBDRN O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000182838649 822375965 /nfs/dbraw/zinc/37/59/65/822375965.db2.gz LRWHTRDJDIROJP-DOTOQJQBSA-N 0 0 392.521 4.158 20 5 GIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccc(Br)c2)c2ccncc21 ZINC000178424749 822377990 /nfs/dbraw/zinc/37/79/90/822377990.db2.gz IJPANHLEACDRDF-INIZCTEOSA-N 0 0 388.221 4.051 20 5 GIBDRN Cc1ccc([C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000045425611 822386933 /nfs/dbraw/zinc/38/69/33/822386933.db2.gz NNRPDOAPZXBGQX-HXUWFJFHSA-N 0 0 382.441 4.249 20 5 GIBDRN Cc1ccc([C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000045425607 822386997 /nfs/dbraw/zinc/38/69/97/822386997.db2.gz NNRPDOAPZXBGQX-FQEVSTJZSA-N 0 0 382.441 4.249 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccco1)c1ccccc1OC ZINC000178543001 822389965 /nfs/dbraw/zinc/38/99/65/822389965.db2.gz FSCJFZUFADZXOS-IBGZPJMESA-N 0 0 397.387 4.116 20 5 GIBDRN CCOCCOCc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182917720 822392318 /nfs/dbraw/zinc/39/23/18/822392318.db2.gz WWNUAARFDOQAKO-AWEZNQCLSA-N 0 0 390.411 4.029 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000182920244 822392945 /nfs/dbraw/zinc/39/29/45/822392945.db2.gz WPEIYUWFWACWRZ-INIZCTEOSA-N 0 0 387.440 4.093 20 5 GIBDRN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000045525835 822393212 /nfs/dbraw/zinc/39/32/12/822393212.db2.gz LWHROLTZXSTQKO-STQMWFEESA-N 0 0 390.823 4.290 20 5 GIBDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000045525830 822393261 /nfs/dbraw/zinc/39/32/61/822393261.db2.gz LWHROLTZXSTQKO-CHWSQXEVSA-N 0 0 390.823 4.290 20 5 GIBDRN C[C@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643733 822399230 /nfs/dbraw/zinc/39/92/30/822399230.db2.gz KZEAQXVMZJRXKP-GJZGRUSLSA-N 0 0 379.420 4.164 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000045622467 822401052 /nfs/dbraw/zinc/40/10/52/822401052.db2.gz HUHRRZXOWYPZHT-UHFFFAOYSA-N 0 0 386.404 4.186 20 5 GIBDRN CC(=O)Nc1nc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cs1 ZINC000178684551 822402665 /nfs/dbraw/zinc/40/26/65/822402665.db2.gz FEGHRXPMKCYFIO-UHFFFAOYSA-N 0 0 383.429 4.180 20 5 GIBDRN COc1ccc([C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C2CC2)cc1 ZINC000178844103 822415748 /nfs/dbraw/zinc/41/57/48/822415748.db2.gz NGLCSBAXNOEHIU-OAQYLSRUSA-N 0 0 395.459 4.429 20 5 GIBDRN CCCc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cnn1-c1cccc(F)c1 ZINC000183047449 822417323 /nfs/dbraw/zinc/41/73/23/822417323.db2.gz WAKNCLCLTYKVTM-UHFFFAOYSA-N 0 0 396.422 4.362 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1[N+](=O)[O-] ZINC000045829179 822417466 /nfs/dbraw/zinc/41/74/66/822417466.db2.gz DKGCKJDQJCTOQJ-UHFFFAOYSA-N 0 0 394.387 4.070 20 5 GIBDRN C[C@@H](C(=O)N1CCC[C@H]1CC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000183063208 822419080 /nfs/dbraw/zinc/41/90/80/822419080.db2.gz BCQSUYUBCBQWCK-OLZOCXBDSA-N 0 0 390.436 4.163 20 5 GIBDRN O=C(O[C@H]([C@H]1CCCO1)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178901510 822420238 /nfs/dbraw/zinc/42/02/38/822420238.db2.gz JCQDITAZUUCISM-ZWNOBZJWSA-N 0 0 375.324 4.076 20 5 GIBDRN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)c1cccc(OC)c1 ZINC000178929013 822422377 /nfs/dbraw/zinc/42/23/77/822422377.db2.gz ICCBFGCKOAIVBP-CQSZACIVSA-N 0 0 381.432 4.237 20 5 GIBDRN O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178930015 822422517 /nfs/dbraw/zinc/42/25/17/822422517.db2.gz CTNYNRUOHFNYBH-GOSISDBHSA-N 0 0 382.441 4.053 20 5 GIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000045939797 822425621 /nfs/dbraw/zinc/42/56/21/822425621.db2.gz XDKKNKBPNKCXBR-GFCCVEGCSA-N 0 0 389.839 4.163 20 5 GIBDRN Cc1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000045951321 822426380 /nfs/dbraw/zinc/42/63/80/822426380.db2.gz AKDRFBFSAOBEFW-UHFFFAOYSA-N 0 0 392.415 4.199 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCc2c(F)ccc(F)c21 ZINC000183122395 822427390 /nfs/dbraw/zinc/42/73/90/822427390.db2.gz DJEVLOHZZUCZAM-UHFFFAOYSA-N 0 0 384.285 4.067 20 5 GIBDRN O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccccc2C(F)(F)F)c2ncccc12 ZINC000179036035 822432085 /nfs/dbraw/zinc/43/20/85/822432085.db2.gz ZWDGIUULNGIPMG-OAHLLOKOSA-N 0 0 378.306 4.274 20 5 GIBDRN O=C(NCc1nc2ccccc2s1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454183302 822436498 /nfs/dbraw/zinc/43/64/98/822436498.db2.gz HRKJMOUDSQWPEX-HNNXBMFYSA-N 0 0 396.472 4.294 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000454209375 822439043 /nfs/dbraw/zinc/43/90/43/822439043.db2.gz IDZAQQZBOCKNQA-QMTHXVAHSA-N 0 0 381.841 4.352 20 5 GIBDRN Cc1c([C@@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cccc1[N+](=O)[O-] ZINC000183195459 822439591 /nfs/dbraw/zinc/43/95/91/822439591.db2.gz DMAVWJYJQWMNHU-CVEARBPZSA-N 0 0 393.447 4.473 20 5 GIBDRN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454236393 822442076 /nfs/dbraw/zinc/44/20/76/822442076.db2.gz FDUFHFNIFWUXBR-APWZRJJASA-N 0 0 397.475 4.211 20 5 GIBDRN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046136448 822443534 /nfs/dbraw/zinc/44/35/34/822443534.db2.gz XETBXQUZERMXPI-UHFFFAOYSA-N 0 0 397.456 4.422 20 5 GIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2c(n1)onc2C(C)C ZINC000179151254 822444377 /nfs/dbraw/zinc/44/43/77/822444377.db2.gz VBRMFRKLJJVVLP-UHFFFAOYSA-N 0 0 394.431 4.368 20 5 GIBDRN Cc1noc(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000183242148 822447326 /nfs/dbraw/zinc/44/73/26/822447326.db2.gz HCCOIPBNSQFKDM-UHFFFAOYSA-N 0 0 389.477 4.412 20 5 GIBDRN CC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CCO1 ZINC000183245502 822447764 /nfs/dbraw/zinc/44/77/64/822447764.db2.gz UGOJARVUXPKOQU-DZGCQCFKSA-N 0 0 375.450 4.170 20 5 GIBDRN COc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000454298056 822453934 /nfs/dbraw/zinc/45/39/34/822453934.db2.gz IFAHPCLYEGSHDC-HDJSIYSDSA-N 0 0 389.839 4.002 20 5 GIBDRN COc1ccc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2c1 ZINC000179235385 822455351 /nfs/dbraw/zinc/45/53/51/822455351.db2.gz QEHATYZDHNJISN-UHFFFAOYSA-N 0 0 393.399 4.290 20 5 GIBDRN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454308590 822455764 /nfs/dbraw/zinc/45/57/64/822455764.db2.gz SBJFZWMSJDXEBC-VQIMIIECSA-N 0 0 381.432 4.008 20 5 GIBDRN Cc1c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000179252688 822457547 /nfs/dbraw/zinc/45/75/47/822457547.db2.gz VKGMQEXWXQMECK-SJLPKXTDSA-N 0 0 388.855 4.124 20 5 GIBDRN COc1cccc(Oc2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cn2)c1 ZINC000046305154 822459488 /nfs/dbraw/zinc/45/94/88/822459488.db2.gz PZNBWMQRLOXBLK-UHFFFAOYSA-N 0 0 393.399 4.029 20 5 GIBDRN Cc1sc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] ZINC000046307619 822459991 /nfs/dbraw/zinc/45/99/91/822459991.db2.gz DHBBBFBLDXCYNR-UHFFFAOYSA-N 0 0 387.392 4.221 20 5 GIBDRN CCOc1cc(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000454347720 822460427 /nfs/dbraw/zinc/46/04/27/822460427.db2.gz IECNGLAYGQOTIY-KUHUBIRLSA-N 0 0 389.452 4.045 20 5 GIBDRN Cc1nc(CN(C)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)no1 ZINC000183349167 822462215 /nfs/dbraw/zinc/46/22/15/822462215.db2.gz LEOVRFXUJDSFCT-UHFFFAOYSA-N 0 0 398.444 4.018 20 5 GIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCCC(C)C ZINC000046339099 822462735 /nfs/dbraw/zinc/46/27/35/822462735.db2.gz WZIWEMJCHIFXRB-CYBMUJFWSA-N 0 0 376.409 4.112 20 5 GIBDRN COc1ccccc1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccn1 ZINC000179308015 822463760 /nfs/dbraw/zinc/46/37/60/822463760.db2.gz CKCKNVUQNKAWAF-FQEVSTJZSA-N 0 0 378.384 4.253 20 5 GIBDRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1csc([N+](=O)[O-])c1 ZINC000179328632 822466967 /nfs/dbraw/zinc/46/69/67/822466967.db2.gz NXIOZPUKDHZNIT-UHFFFAOYSA-N 0 0 375.793 4.121 20 5 GIBDRN Cc1nc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000183426165 822473092 /nfs/dbraw/zinc/47/30/92/822473092.db2.gz WGVCVWNOVDVEAD-UHFFFAOYSA-N 0 0 397.337 4.060 20 5 GIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046507163 822479039 /nfs/dbraw/zinc/47/90/39/822479039.db2.gz AIZDKZBCJOPTAE-OAHLLOKOSA-N 0 0 376.796 4.058 20 5 GIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000179421642 822480169 /nfs/dbraw/zinc/48/01/69/822480169.db2.gz BRDYQZDECCKVCP-QMMMGPOBSA-N 0 0 396.163 4.164 20 5 GIBDRN COCCn1ccc2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000179440051 822483099 /nfs/dbraw/zinc/48/30/99/822483099.db2.gz SLYFUURSQQGRJV-UHFFFAOYSA-N 0 0 396.447 4.253 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000179440245 822483231 /nfs/dbraw/zinc/48/32/31/822483231.db2.gz UUVTUOXRFKWSGN-UHFFFAOYSA-N 0 0 397.456 4.376 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(CC)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000046566901 822486620 /nfs/dbraw/zinc/48/66/20/822486620.db2.gz GZZVFUXKKFVGHC-UHFFFAOYSA-N 0 0 399.428 4.048 20 5 GIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000179468030 822486993 /nfs/dbraw/zinc/48/69/93/822486993.db2.gz BIRJBGOVHNINHW-UHFFFAOYSA-N 0 0 396.422 4.123 20 5 GIBDRN Cc1cncc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000179475136 822487928 /nfs/dbraw/zinc/48/79/28/822487928.db2.gz SQQILLRUZZXADR-UHFFFAOYSA-N 0 0 379.441 4.379 20 5 GIBDRN C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000046599650 822490318 /nfs/dbraw/zinc/49/03/18/822490318.db2.gz ZIARQOFFXRZJSS-GJZGRUSLSA-N 0 0 381.432 4.039 20 5 GIBDRN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000046608935 822491773 /nfs/dbraw/zinc/49/17/73/822491773.db2.gz AIOSJKWXBBNUKQ-GFCCVEGCSA-N 0 0 379.363 4.099 20 5 GIBDRN Cc1csc([C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)n1 ZINC000183553048 822493906 /nfs/dbraw/zinc/49/39/06/822493906.db2.gz GQONVRHGCHRPSF-MEBBXXQBSA-N 0 0 394.884 4.081 20 5 GIBDRN CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC000183569402 822495958 /nfs/dbraw/zinc/49/59/58/822495958.db2.gz ZISJPFUZAGPDJQ-JTQLQIEISA-N 0 0 396.216 4.048 20 5 GIBDRN Cc1cccc([C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000179536680 822499443 /nfs/dbraw/zinc/49/94/43/822499443.db2.gz BRJLDINMCNHYAV-NRFANRHFSA-N 0 0 390.443 4.229 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC=C(c2ccc(F)cc2)CC1 ZINC000179557206 822503246 /nfs/dbraw/zinc/50/32/46/822503246.db2.gz HORBTSJPPZEEOD-UHFFFAOYSA-N 0 0 377.375 4.212 20 5 GIBDRN O=C(Nc1cccc(COCCOc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000046689732 822505888 /nfs/dbraw/zinc/50/58/88/822505888.db2.gz GVILULUANPGGLJ-UHFFFAOYSA-N 0 0 392.411 4.443 20 5 GIBDRN O=C(NCc1nc2ccccc2n1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183676828 822509878 /nfs/dbraw/zinc/50/98/78/822509878.db2.gz AJUIPYCXDNEQRJ-UHFFFAOYSA-N 0 0 385.811 4.255 20 5 GIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(C)c2c1 ZINC000179598920 822510086 /nfs/dbraw/zinc/51/00/86/822510086.db2.gz HAWFGLZLDYMYEN-UHFFFAOYSA-N 0 0 385.445 4.077 20 5 GIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000183684746 822510877 /nfs/dbraw/zinc/51/08/77/822510877.db2.gz YKMQXBQONLYNJN-UHFFFAOYSA-N 0 0 398.806 4.057 20 5 GIBDRN CC[C@@H](CSc1ccccc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179613169 822512967 /nfs/dbraw/zinc/51/29/67/822512967.db2.gz BGYWEBZREUDHIL-NSHDSACASA-N 0 0 386.520 4.043 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000179656523 822521494 /nfs/dbraw/zinc/52/14/94/822521494.db2.gz KJPIPEDOBRZCFT-HNAYVOBHSA-N 0 0 383.448 4.080 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2oc(C(C)C)nc2c1 ZINC000046834044 822522198 /nfs/dbraw/zinc/52/21/98/822522198.db2.gz ANYNSQWPZLCPDY-LBPRGKRZSA-N 0 0 398.419 4.307 20 5 GIBDRN COc1ccccc1COC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000179660965 822522295 /nfs/dbraw/zinc/52/22/95/822522295.db2.gz DZCYEGVIJHBTJE-UHFFFAOYSA-N 0 0 399.447 4.125 20 5 GIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000183753301 822522472 /nfs/dbraw/zinc/52/24/72/822522472.db2.gz GYXICLYBNHUDBI-FXAWDEMLSA-N 0 0 389.496 4.253 20 5 GIBDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000183757071 822523215 /nfs/dbraw/zinc/52/32/15/822523215.db2.gz FHSWGOFFHLTWOP-QGZVFWFLSA-N 0 0 390.443 4.027 20 5 GIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl ZINC000046877315 822525848 /nfs/dbraw/zinc/52/58/48/822525848.db2.gz JYWLNNVUALGABC-VIFPVBQESA-N 0 0 387.194 4.297 20 5 GIBDRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000179701516 822530651 /nfs/dbraw/zinc/53/06/51/822530651.db2.gz FVVMWBTYAVQLTP-UHFFFAOYSA-N 0 0 384.823 4.015 20 5 GIBDRN COc1ccc(OC(C)C)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000183815621 822531088 /nfs/dbraw/zinc/53/10/88/822531088.db2.gz ATGRARBCUNVPSH-LBPRGKRZSA-N 0 0 376.384 4.272 20 5 GIBDRN CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000183820408 822531843 /nfs/dbraw/zinc/53/18/43/822531843.db2.gz WLJAPRNZGRTDKY-UHFFFAOYSA-N 0 0 388.424 4.313 20 5 GIBDRN COc1ccccc1-c1nnc(SCc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000183833626 822533518 /nfs/dbraw/zinc/53/35/18/822533518.db2.gz MVWGBTOPIYCCII-UHFFFAOYSA-N 0 0 391.380 4.093 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179732597 822537501 /nfs/dbraw/zinc/53/75/01/822537501.db2.gz SQKBKIAPJQPYLF-SFHVURJKSA-N 0 0 376.840 4.109 20 5 GIBDRN Cc1c(NC(=O)Cc2cccc(OCc3cccnc3)c2)cccc1[N+](=O)[O-] ZINC000179741171 822540273 /nfs/dbraw/zinc/54/02/73/822540273.db2.gz CFRPYQXLXKSFRX-UHFFFAOYSA-N 0 0 377.400 4.058 20 5 GIBDRN CCOc1cc(C(=O)N[C@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])cc1OC ZINC000179753786 822543380 /nfs/dbraw/zinc/54/33/80/822543380.db2.gz ACFGXNUAXJUQLD-KRWDZBQOSA-N 0 0 384.432 4.118 20 5 GIBDRN COc1cc(C)c(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000183923001 822547270 /nfs/dbraw/zinc/54/72/70/822547270.db2.gz SPGHYIVNFWFMKD-UHFFFAOYSA-N 0 0 379.210 4.235 20 5 GIBDRN Cn1c(COc2ccccc2Cl)nnc1SCc1csc([N+](=O)[O-])c1 ZINC000047171889 822550720 /nfs/dbraw/zinc/55/07/20/822550720.db2.gz QNIYTWOTFHXGLM-UHFFFAOYSA-N 0 0 396.881 4.310 20 5 GIBDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000047176008 822551319 /nfs/dbraw/zinc/55/13/19/822551319.db2.gz QVEQIJFZTGDLLF-JLTOFOAXSA-N 0 0 380.400 4.163 20 5 GIBDRN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792407 822554001 /nfs/dbraw/zinc/55/40/01/822554001.db2.gz CFJRYGYMLFIQFS-WBMJQRKESA-N 0 0 377.391 4.249 20 5 GIBDRN 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ZINC000047506494 822585361 /nfs/dbraw/zinc/58/53/61/822585361.db2.gz VOMWVASZZCSDIV-LLVKDONJSA-N 0 0 383.326 4.419 20 5 GIBDRN COc1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179968259 822587297 /nfs/dbraw/zinc/58/72/97/822587297.db2.gz KOVRSINKMACBPW-JOCHJYFZSA-N 0 0 378.428 4.491 20 5 GIBDRN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047535115 822588084 /nfs/dbraw/zinc/58/80/84/822588084.db2.gz NXDOMOGMEUZUDL-UHFFFAOYSA-N 0 0 388.811 4.128 20 5 GIBDRN C[C@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc([N+](=O)[O-])cc1 ZINC000455096677 822588460 /nfs/dbraw/zinc/58/84/60/822588460.db2.gz BROZONNAMJKRFO-XPTSAGLGSA-N 0 0 379.338 4.060 20 5 GIBDRN CCOc1ccc([C@@H](C)NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC ZINC000047544496 822589137 /nfs/dbraw/zinc/58/91/37/822589137.db2.gz GMRGRKSHFISOHY-GFCCVEGCSA-N 0 0 390.461 4.215 20 5 GIBDRN CCCc1nc(C)c(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000455108304 822590048 /nfs/dbraw/zinc/59/00/48/822590048.db2.gz 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C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053416584 822833740 /nfs/dbraw/zinc/83/37/40/822833740.db2.gz VBAVYSUWVJNEBM-SNVBAGLBSA-N 0 0 397.656 4.372 20 5 GIBDRN CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174809115 822840433 /nfs/dbraw/zinc/84/04/33/822840433.db2.gz PVLZJYNVTMQYTL-UHFFFAOYSA-N 0 0 391.855 4.108 20 5 GIBDRN Cc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000456956806 822843900 /nfs/dbraw/zinc/84/39/00/822843900.db2.gz VYJAGPDACKQZFB-UHFFFAOYSA-N 0 0 381.476 4.087 20 5 GIBDRN CCOc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ncccc12 ZINC000186033447 822845713 /nfs/dbraw/zinc/84/57/13/822845713.db2.gz BPKLLDVZLWWXIK-UHFFFAOYSA-N 0 0 380.404 4.206 20 5 GIBDRN COc1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 ZINC000174861690 822847871 /nfs/dbraw/zinc/84/78/71/822847871.db2.gz NDPQXDDGKJILKF-UHFFFAOYSA-N 0 0 383.407 4.262 20 5 GIBDRN Cc1ccc(OCc2nnc(SCCOc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000053798715 822848544 /nfs/dbraw/zinc/84/85/44/822848544.db2.gz AHIIDLUIIMUBJO-UHFFFAOYSA-N 0 0 387.417 4.036 20 5 GIBDRN CSc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[N+](=O)[O-] ZINC000186081581 822849932 /nfs/dbraw/zinc/84/99/32/822849932.db2.gz BGHMWIUVZZGTCU-GFCCVEGCSA-N 0 0 399.472 4.156 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186085861 822850421 /nfs/dbraw/zinc/85/04/21/822850421.db2.gz PNCKNTTXLSFXDU-UHFFFAOYSA-N 0 0 392.799 4.087 20 5 GIBDRN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053896393 822852317 /nfs/dbraw/zinc/85/23/17/822852317.db2.gz FAIPYIHXTVRWNB-UHFFFAOYSA-N 0 0 396.350 4.241 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000174899684 822852608 /nfs/dbraw/zinc/85/26/08/822852608.db2.gz ZSOZEUZBLSCFFA-UHFFFAOYSA-N 0 0 399.838 4.157 20 5 GIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000186174763 822858084 /nfs/dbraw/zinc/85/80/84/822858084.db2.gz JXKWPUZLGIOIOM-HZPDHXFCSA-N 0 0 388.414 4.458 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000174954206 822860561 /nfs/dbraw/zinc/86/05/61/822860561.db2.gz VJWVULBOSMAVSA-SNVBAGLBSA-N 0 0 396.802 4.286 20 5 GIBDRN O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000054061208 822860811 /nfs/dbraw/zinc/86/08/11/822860811.db2.gz ARWMZSUJRPMOEB-UHFFFAOYSA-N 0 0 395.246 4.152 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2c(F)cccc2Cl)cc1OC ZINC000174960718 822861746 /nfs/dbraw/zinc/86/17/46/822861746.db2.gz MFINMVKHNAMALE-JTQLQIEISA-N 0 0 396.802 4.286 20 5 GIBDRN Cc1c(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cccc1[N+](=O)[O-] ZINC000457320668 822864978 /nfs/dbraw/zinc/86/49/78/822864978.db2.gz AMDVFFWESVXPGE-UHFFFAOYSA-N 0 0 379.338 4.033 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1Sc1ccccc1 ZINC000054167883 822865119 /nfs/dbraw/zinc/86/51/19/822865119.db2.gz RNENOGAFCQGODK-UHFFFAOYSA-N 0 0 379.441 4.114 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000457328524 822866647 /nfs/dbraw/zinc/86/66/47/822866647.db2.gz NLIDYMOKWLRLLT-UHFFFAOYSA-N 0 0 393.365 4.044 20 5 GIBDRN O=C(Nc1nncs1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000054194590 822867102 /nfs/dbraw/zinc/86/71/02/822867102.db2.gz OYHNVYAKRXAIJI-UHFFFAOYSA-N 0 0 376.781 4.144 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N2CC(C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000457344989 822868969 /nfs/dbraw/zinc/86/89/69/822868969.db2.gz QXCPIJZAUZIEQM-AWEZNQCLSA-N 0 0 382.464 4.281 20 5 GIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054283748 822873050 /nfs/dbraw/zinc/87/30/50/822873050.db2.gz YYLMPLMPFFULGN-SJKOYZFVSA-N 0 0 390.436 4.245 20 5 GIBDRN CCOc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Br ZINC000186306535 822873897 /nfs/dbraw/zinc/87/38/97/822873897.db2.gz UHOYJUPDPFXNLL-UHFFFAOYSA-N 0 0 383.173 4.147 20 5 GIBDRN Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC000569067180 822876053 /nfs/dbraw/zinc/87/60/53/822876053.db2.gz YTQZWSXBHHZWFX-ZDUSSCGKSA-N 0 0 384.823 4.485 20 5 GIBDRN Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC000569067179 822876083 /nfs/dbraw/zinc/87/60/83/822876083.db2.gz YTQZWSXBHHZWFX-CYBMUJFWSA-N 0 0 384.823 4.485 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000186329801 822877053 /nfs/dbraw/zinc/87/70/53/822877053.db2.gz WNLMBCPLRPEIIV-UHFFFAOYSA-N 0 0 398.806 4.106 20 5 GIBDRN COC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000186340701 822878339 /nfs/dbraw/zinc/87/83/39/822878339.db2.gz XBLUKSRXXDAFMO-MRXNPFEDSA-N 0 0 392.521 4.376 20 5 GIBDRN Cc1cc(C(=O)CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000186346967 822879502 /nfs/dbraw/zinc/87/95/02/822879502.db2.gz HTXYFCJFCLUHTO-UHFFFAOYSA-N 0 0 380.853 4.206 20 5 GIBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Br)s1 ZINC000175099338 822881974 /nfs/dbraw/zinc/88/19/74/822881974.db2.gz MWMYOPIJQPVFNE-ZCFIWIBFSA-N 0 0 391.193 4.439 20 5 GIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2csc([N+](=O)[O-])c2)cc1 ZINC000054423093 822883715 /nfs/dbraw/zinc/88/37/15/822883715.db2.gz SBIUGDKPTUBQNZ-SFHVURJKSA-N 0 0 381.413 4.436 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)[C@H](C)Cc2ccsc2)cc1OC ZINC000186372748 822883727 /nfs/dbraw/zinc/88/37/27/822883727.db2.gz OZCBRUALNATMRP-CYBMUJFWSA-N 0 0 392.477 4.157 20 5 GIBDRN Cn1c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000186377506 822884725 /nfs/dbraw/zinc/88/47/25/822884725.db2.gz RFRCSTMSPJOPNW-UHFFFAOYSA-N 0 0 397.866 4.208 20 5 GIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175120665 822886177 /nfs/dbraw/zinc/88/61/77/822886177.db2.gz ZCVMHMBHYBCYGS-SECBINFHSA-N 0 0 395.293 4.113 20 5 GIBDRN O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc([N+](=O)[O-])cc1F ZINC000186393775 822887246 /nfs/dbraw/zinc/88/72/46/822887246.db2.gz DTHYNLNKLHVIKX-UHFFFAOYSA-N 0 0 377.278 4.136 20 5 GIBDRN Cc1[nH]ccc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000175125742 822887581 /nfs/dbraw/zinc/88/75/81/822887581.db2.gz OIJQGUSLJHCPQJ-UHFFFAOYSA-N 0 0 399.790 4.356 20 5 GIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000175150251 822892547 /nfs/dbraw/zinc/89/25/47/822892547.db2.gz VCPOCFZQSASSER-UHFFFAOYSA-N 0 0 395.415 4.213 20 5 GIBDRN COc1cc(F)cc2sc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])nc21 ZINC000186459063 822899026 /nfs/dbraw/zinc/89/90/26/822899026.db2.gz NFGVKUXKLDBDKM-UHFFFAOYSA-N 0 0 393.421 4.326 20 5 GIBDRN CSc1cccc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1[N+](=O)[O-] ZINC000186475602 822901357 /nfs/dbraw/zinc/90/13/57/822901357.db2.gz QSIXGTGGFGBUNO-UHFFFAOYSA-N 0 0 387.461 4.016 20 5 GIBDRN CCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000186476637 822901578 /nfs/dbraw/zinc/90/15/78/822901578.db2.gz LVWFXVLJLBDMPJ-CQSZACIVSA-N 0 0 388.489 4.419 20 5 GIBDRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000054665691 822902315 /nfs/dbraw/zinc/90/23/15/822902315.db2.gz WZGATGNWOFZJOC-GOSISDBHSA-N 0 0 378.432 4.157 20 5 GIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1/C=C\c1ccccc1 ZINC000569291511 822902710 /nfs/dbraw/zinc/90/27/10/822902710.db2.gz GNEXUTZIGQHRSG-DVESRUBUSA-N 0 0 375.432 4.073 20 5 GIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000569291514 822902730 /nfs/dbraw/zinc/90/27/30/822902730.db2.gz GNEXUTZIGQHRSG-ZVBPTUHVSA-N 0 0 375.432 4.073 20 5 GIBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000175201547 822903061 /nfs/dbraw/zinc/90/30/61/822903061.db2.gz PTNWBYKCYAAVMU-UHFFFAOYSA-N 0 0 384.823 4.144 20 5 GIBDRN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000175210405 822904875 /nfs/dbraw/zinc/90/48/75/822904875.db2.gz VIKLBSYUBXRYQK-UHFFFAOYSA-N 0 0 389.371 4.201 20 5 GIBDRN O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054778308 822911937 /nfs/dbraw/zinc/91/19/37/822911937.db2.gz LYWCVLBYVUYDHX-UHFFFAOYSA-N 0 0 394.402 4.381 20 5 GIBDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1=O ZINC000186569929 822915285 /nfs/dbraw/zinc/91/52/85/822915285.db2.gz QZRZLXFNUGXJSF-GFCCVEGCSA-N 0 0 388.807 4.092 20 5 GIBDRN CSc1cccc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000186590192 822918914 /nfs/dbraw/zinc/91/89/14/822918914.db2.gz TUZDBBSLXNPBFV-WMLDXEAASA-N 0 0 386.473 4.227 20 5 GIBDRN C[C@H](C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000569420138 822920728 /nfs/dbraw/zinc/92/07/28/822920728.db2.gz BFLKBRCHQGAVRA-XOBRGWDASA-N 0 0 379.391 4.138 20 5 GIBDRN Cc1cnc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)s1 ZINC000175306592 822930619 /nfs/dbraw/zinc/93/06/19/822930619.db2.gz RHQYUGWFDBTEHE-ZDUSSCGKSA-N 0 0 398.391 4.234 20 5 GIBDRN Cc1csc([C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)n1 ZINC000175307310 822930872 /nfs/dbraw/zinc/93/08/72/822930872.db2.gz JLHSIHGFEORBAN-CYBMUJFWSA-N 0 0 398.391 4.234 20 5 GIBDRN C[C@@H]1C[C@@H]1CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513855 822932556 /nfs/dbraw/zinc/93/25/56/822932556.db2.gz SPRDZHWLYGABIZ-HZPDHXFCSA-N 0 0 399.516 4.014 20 5 GIBDRN CNc1ccc(C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000569522995 822934181 /nfs/dbraw/zinc/93/41/81/822934181.db2.gz IGFGRKKGOAGGRR-SFHVURJKSA-N 0 0 382.464 4.207 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457927646 822938080 /nfs/dbraw/zinc/93/80/80/822938080.db2.gz KIFPAXGWCXJVIQ-CYBMUJFWSA-N 0 0 393.896 4.263 20 5 GIBDRN C[C@H](CCCc1cccnc1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457927914 822938325 /nfs/dbraw/zinc/93/83/25/822938325.db2.gz IFTZAVBYZAMWBJ-CQSZACIVSA-N 0 0 396.472 4.255 20 5 GIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)n1 ZINC000055148943 822940510 /nfs/dbraw/zinc/94/05/10/822940510.db2.gz WFACSFXNSAHOCI-UHFFFAOYSA-N 0 0 395.444 4.109 20 5 GIBDRN C[C@H]1COc2ccccc2N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175348495 822941405 /nfs/dbraw/zinc/94/14/05/822941405.db2.gz LREUECXTEJQQDV-LBPRGKRZSA-N 0 0 381.413 4.146 20 5 GIBDRN CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152870 822941563 /nfs/dbraw/zinc/94/15/63/822941563.db2.gz OOLMWZPICUODHH-JTQLQIEISA-N 0 0 381.791 4.225 20 5 GIBDRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457946365 822942015 /nfs/dbraw/zinc/94/20/15/822942015.db2.gz AQSBTPIZXZYIOO-LLVKDONJSA-N 0 0 382.338 4.422 20 5 GIBDRN C[C@@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cn(C)c2ccccc12 ZINC000186714133 822943147 /nfs/dbraw/zinc/94/31/47/822943147.db2.gz YYZGQUCYYGEVAG-CQSZACIVSA-N 0 0 389.415 4.014 20 5 GIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2c1NCCC2 ZINC000569612127 822944497 /nfs/dbraw/zinc/94/44/97/822944497.db2.gz QWLAMKFZAUSIJV-UHFFFAOYSA-N 0 0 377.347 4.115 20 5 GIBDRN CSc1cccc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC000186771029 822952503 /nfs/dbraw/zinc/95/25/03/822952503.db2.gz ZSCPFWOWRRUYPV-UHFFFAOYSA-N 0 0 380.429 4.050 20 5 GIBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458052482 822953966 /nfs/dbraw/zinc/95/39/66/822953966.db2.gz DTTOURJTZPSLQC-TZIWHRDSSA-N 0 0 390.443 4.189 20 5 GIBDRN CCCC(=O)Nc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175385387 822954178 /nfs/dbraw/zinc/95/41/78/822954178.db2.gz GSKZMGLXNUFBKB-UHFFFAOYSA-N 0 0 398.463 4.068 20 5 GIBDRN O=C(Nc1ccnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175388433 822955378 /nfs/dbraw/zinc/95/53/78/822955378.db2.gz SNNNGGCJRULLBE-UHFFFAOYSA-N 0 0 376.294 4.052 20 5 GIBDRN COc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000055409888 822958498 /nfs/dbraw/zinc/95/84/98/822958498.db2.gz ADNGEEDQULSJIU-UHFFFAOYSA-N 0 0 384.310 4.030 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1c(Cl)cccc1Cl ZINC000569731501 822960013 /nfs/dbraw/zinc/96/00/13/822960013.db2.gz QCIKRLLUNSRRRT-UHFFFAOYSA-N 0 0 375.158 4.039 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000569747527 822963086 /nfs/dbraw/zinc/96/30/86/822963086.db2.gz SNKDUKBPYDGBSU-RBUKOAKNSA-N 0 0 387.411 4.338 20 5 GIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055444313 822963537 /nfs/dbraw/zinc/96/35/37/822963537.db2.gz JAVQNUGOTWRAQQ-UHFFFAOYSA-N 0 0 387.411 4.248 20 5 GIBDRN CC(C)[C@@H]1N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000458170623 822964816 /nfs/dbraw/zinc/96/48/16/822964816.db2.gz FYCWVHOHJCPFER-IBGZPJMESA-N 0 0 383.448 4.280 20 5 GIBDRN CCOc1ccc(C2=CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000569760423 822964888 /nfs/dbraw/zinc/96/48/88/822964888.db2.gz LJYZHLIEFAJOJS-UHFFFAOYSA-N 0 0 397.431 4.323 20 5 GIBDRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000175427254 822965935 /nfs/dbraw/zinc/96/59/35/822965935.db2.gz HCKYUADTNFTGKP-SNVBAGLBSA-N 0 0 378.816 4.170 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1O ZINC000186851543 822967927 /nfs/dbraw/zinc/96/79/27/822967927.db2.gz SFMKJXYAGVAQPM-NSHDSACASA-N 0 0 378.812 4.152 20 5 GIBDRN CCOc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000569782945 822968322 /nfs/dbraw/zinc/96/83/22/822968322.db2.gz QIJRAXPZNPXQGH-VYDXJSESSA-N 0 0 398.459 4.409 20 5 GIBDRN C[C@H](Nc1ccc(C(=O)N(C)C2CC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000458221309 822970366 /nfs/dbraw/zinc/97/03/66/822970366.db2.gz ZDXBBWZPVIIGDN-AWEZNQCLSA-N 0 0 382.464 4.424 20 5 GIBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1c(F)cccc1Br ZINC000175455249 822973449 /nfs/dbraw/zinc/97/34/49/822973449.db2.gz ZQGSWIPBLXUFPL-UHFFFAOYSA-N 0 0 375.100 4.027 20 5 GIBDRN CSc1cccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000186883580 822974363 /nfs/dbraw/zinc/97/43/63/822974363.db2.gz CLBZUFIBCOHOCH-LBPRGKRZSA-N 0 0 392.864 4.264 20 5 GIBDRN C[C@H](c1nc(-c2ccc(Cn3cccn3)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000569886354 822980700 /nfs/dbraw/zinc/98/07/00/822980700.db2.gz ZVGNBOPCVLOLIV-AWEZNQCLSA-N 0 0 375.388 4.041 20 5 GIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458327045 822983559 /nfs/dbraw/zinc/98/35/59/822983559.db2.gz FOKQRQIHSRDSEE-ZWKOTPCHSA-N 0 0 392.521 4.110 20 5 GIBDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055593747 822984492 /nfs/dbraw/zinc/98/44/92/822984492.db2.gz VABTWHWUKQCKRA-GJZGRUSLSA-N 0 0 395.459 4.274 20 5 GIBDRN CSc1cccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000186966520 822988934 /nfs/dbraw/zinc/98/89/34/822988934.db2.gz URXIELIMCXTLQN-YOEHRIQHSA-N 0 0 392.864 4.230 20 5 GIBDRN C[C@@H](Nc1ccc2c(c1)C(=O)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175519250 822989611 /nfs/dbraw/zinc/98/96/11/822989611.db2.gz ASOKGILFTRSWMC-LLVKDONJSA-N 0 0 387.823 4.206 20 5 GIBDRN Cc1ccc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000055644990 822991455 /nfs/dbraw/zinc/99/14/55/822991455.db2.gz RNGYOPYNJJYTBA-INIZCTEOSA-N 0 0 391.427 4.368 20 5 GIBDRN Cc1sc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000055647664 822992298 /nfs/dbraw/zinc/99/22/98/822992298.db2.gz IYJAWFXJMIETSB-ZDUSSCGKSA-N 0 0 397.456 4.430 20 5 GIBDRN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000055648045 822992473 /nfs/dbraw/zinc/99/24/73/822992473.db2.gz HBKKNKJHADPCNZ-CYBMUJFWSA-N 0 0 383.429 4.121 20 5 GIBDRN CCOC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000175537421 822993015 /nfs/dbraw/zinc/99/30/15/822993015.db2.gz YMTNDFIBMNPJID-HNNXBMFYSA-N 0 0 386.473 4.245 20 5 GIBDRN O=C(NC1(c2ccccc2)CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175549418 822995211 /nfs/dbraw/zinc/99/52/11/822995211.db2.gz RIPFXIGZSKAGBZ-UHFFFAOYSA-N 0 0 375.222 4.167 20 5 GIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000055689156 822999785 /nfs/dbraw/zinc/99/97/85/822999785.db2.gz WXZGDHJAZNHQHP-NSHDSACASA-N 0 0 391.811 4.108 20 5 GIBDRN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570059084 823001639 /nfs/dbraw/zinc/00/16/39/823001639.db2.gz ZHCSFSXRYHTMFL-UHFFFAOYSA-N 0 0 395.346 4.085 20 5 GIBDRN CCOc1cc(C(=O)N[C@@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])cc1OC ZINC000055712322 823001905 /nfs/dbraw/zinc/00/19/05/823001905.db2.gz MYWAKNRJVAOEDF-OAHLLOKOSA-N 0 0 390.823 4.073 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000187045454 823003182 /nfs/dbraw/zinc/00/31/82/823003182.db2.gz REGKUGMUCQEMAX-LLVKDONJSA-N 0 0 379.363 4.154 20 5 GIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175590517 823003240 /nfs/dbraw/zinc/00/32/40/823003240.db2.gz JVPPLMLNDJSCDK-GFCCVEGCSA-N 0 0 375.400 4.038 20 5 GIBDRN CC1(C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc2O1 ZINC000570076677 823003755 /nfs/dbraw/zinc/00/37/55/823003755.db2.gz DKXNTKLHPCBUBS-UHFFFAOYSA-N 0 0 379.416 4.423 20 5 GIBDRN Cc1ccccc1Cc1noc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000175596042 823003962 /nfs/dbraw/zinc/00/39/62/823003962.db2.gz RZHAUUGHDHDIBJ-UHFFFAOYSA-N 0 0 380.448 4.288 20 5 GIBDRN COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000175620939 823008165 /nfs/dbraw/zinc/00/81/65/823008165.db2.gz NOEQIPRLJDSPGV-KGLIPLIRSA-N 0 0 387.436 4.042 20 5 GIBDRN COC(=O)c1nc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)sc1C(C)C ZINC000570126830 823008199 /nfs/dbraw/zinc/00/81/99/823008199.db2.gz OZIWOUAVBHGKOO-UHFFFAOYSA-N 0 0 391.449 4.139 20 5 GIBDRN CC(C)Oc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000175623705 823008664 /nfs/dbraw/zinc/00/86/64/823008664.db2.gz QNJXMMVNMMKVBX-UHFFFAOYSA-N 0 0 379.210 4.397 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC3CCCC3)CC2)c1 ZINC000175641125 823011453 /nfs/dbraw/zinc/01/14/53/823011453.db2.gz RTXRFLROGXQKDD-UHFFFAOYSA-N 0 0 378.494 4.128 20 5 GIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(-c3ccncc3)cc2)c1[N+](=O)[O-] ZINC000570185779 823013353 /nfs/dbraw/zinc/01/33/53/823013353.db2.gz MHAJVNSBTAFNAX-AWEZNQCLSA-N 0 0 392.415 4.320 20 5 GIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000570187329 823013478 /nfs/dbraw/zinc/01/34/78/823013478.db2.gz KSOHAKIEYSYOKL-OAHLLOKOSA-N 0 0 399.495 4.208 20 5 GIBDRN O=C(NCc1ccco1)c1ccccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175660025 823014670 /nfs/dbraw/zinc/01/46/70/823014670.db2.gz LFMAAYCJBXJMIH-UHFFFAOYSA-N 0 0 399.790 4.024 20 5 GIBDRN COCc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)sc2cccc(F)c21 ZINC000175670521 823017009 /nfs/dbraw/zinc/01/70/09/823017009.db2.gz IUYHXEAOSJKSTK-UHFFFAOYSA-N 0 0 375.381 4.051 20 5 GIBDRN CN(C(=O)c1ccc(N2CCCc3ccccc32)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000570314605 823024947 /nfs/dbraw/zinc/02/49/47/823024947.db2.gz ODNALTZYVFWVMK-UHFFFAOYSA-N 0 0 388.427 4.351 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(c2ccc(Cl)cc2)CC1 ZINC000570314962 823025013 /nfs/dbraw/zinc/02/50/13/823025013.db2.gz ATGCUNZQXXJVAP-UHFFFAOYSA-N 0 0 383.835 4.120 20 5 GIBDRN O=C(N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1c(F)cc(C(F)(F)F)cc1F ZINC000570324628 823025927 /nfs/dbraw/zinc/02/59/27/823025927.db2.gz RJORGVWQYPGGGG-UHFFFAOYSA-N 0 0 397.259 4.114 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000570333818 823026413 /nfs/dbraw/zinc/02/64/13/823026413.db2.gz UZRMHWWYWFGJDI-UHFFFAOYSA-N 0 0 383.423 4.160 20 5 GIBDRN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175723870 823027340 /nfs/dbraw/zinc/02/73/40/823027340.db2.gz ZJGZZANXHMIAKS-UHFFFAOYSA-N 0 0 397.822 4.044 20 5 GIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Oc3ccccc3)cc2)n1 ZINC000570419016 823035227 /nfs/dbraw/zinc/03/52/27/823035227.db2.gz CXVYBRLZXOZHCX-UHFFFAOYSA-N 0 0 379.372 4.181 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570428030 823036615 /nfs/dbraw/zinc/03/66/15/823036615.db2.gz XYYIELKUFAQDDL-CJNGLKHVSA-N 0 0 395.866 4.017 20 5 GIBDRN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000055752883 823037039 /nfs/dbraw/zinc/03/70/39/823037039.db2.gz IUPZOJYONALNPB-UHFFFAOYSA-N 0 0 395.459 4.336 20 5 GIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055752978 823037069 /nfs/dbraw/zinc/03/70/69/823037069.db2.gz GXXSPSLNGPSZSA-UHFFFAOYSA-N 0 0 381.432 4.028 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1OC ZINC000175781184 823038623 /nfs/dbraw/zinc/03/86/23/823038623.db2.gz UISNAVKKZCDFFQ-GOEBONIOSA-N 0 0 384.432 4.020 20 5 GIBDRN CC(C)c1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000190143501 823542585 /nfs/dbraw/zinc/54/25/85/823542585.db2.gz JNTFGVTZOZDMLL-UHFFFAOYSA-N 0 0 397.475 4.179 20 5 GIBDRN CCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000190150354 823543453 /nfs/dbraw/zinc/54/34/53/823543453.db2.gz MGGWPCXGECXMLB-UHFFFAOYSA-N 0 0 378.226 4.432 20 5 GIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000177910082 823545274 /nfs/dbraw/zinc/54/52/74/823545274.db2.gz JKYYJKWUTUAZTI-IBGZPJMESA-N 0 0 396.834 4.232 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000123854213 823545993 /nfs/dbraw/zinc/54/59/93/823545993.db2.gz 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GIBDRN COc1cccc(-c2nc(COc3cc(F)ccc3[N+](=O)[O-])cs2)c1OC ZINC000005170192 817556378 /nfs/dbraw/zinc/55/63/78/817556378.db2.gz VSPKCJVLJOYICX-UHFFFAOYSA-N 0 0 390.392 4.454 20 5 GIBDRN O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000005199980 817559705 /nfs/dbraw/zinc/55/97/05/817559705.db2.gz ZZCPTTSGAKAYIC-UHFFFAOYSA-N 0 0 379.391 4.276 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(Cl)cc2cccnc21 ZINC000572036423 823272349 /nfs/dbraw/zinc/27/23/49/823272349.db2.gz SVLMMZOCFYCANF-UHFFFAOYSA-N 0 0 377.734 4.256 20 5 GIBDRN CCC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000005262368 817566564 /nfs/dbraw/zinc/56/65/64/817566564.db2.gz CDUCQPAIVJJCNQ-KRWDZBQOSA-N 0 0 390.823 4.063 20 5 GIBDRN Cc1cnc(OCc2ncc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000176704700 823272535 /nfs/dbraw/zinc/27/25/35/823272535.db2.gz KLKKULKBJPMGNI-UHFFFAOYSA-N 0 0 390.193 4.295 20 5 GIBDRN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[nH]c1Cc1ccccc1 ZINC000005312367 817573013 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4.022 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000572075782 823278243 /nfs/dbraw/zinc/27/82/43/823278243.db2.gz CQBDUJCGMAAIGN-SECBINFHSA-N 0 0 379.294 4.497 20 5 GIBDRN CO[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000460010389 823278364 /nfs/dbraw/zinc/27/83/64/823278364.db2.gz KIWFGUSFOKCKHV-CABCVRRESA-N 0 0 375.450 4.170 20 5 GIBDRN O=C(Nc1ccccc1)c1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005672703 817607325 /nfs/dbraw/zinc/60/73/25/817607325.db2.gz VXTYNSDHKBTWSL-UHFFFAOYSA-N 0 0 376.368 4.204 20 5 GIBDRN CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000005680711 817608634 /nfs/dbraw/zinc/60/86/34/817608634.db2.gz QWVCDIYLNLRZFI-VLIAUNLRSA-N 0 0 384.432 4.215 20 5 GIBDRN O=C(COC(=O)Cc1cccc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005715064 817612648 /nfs/dbraw/zinc/61/26/48/817612648.db2.gz JKNLNGQQEUYQDO-UHFFFAOYSA-N 0 0 398.802 4.126 20 5 GIBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000005779459 817616571 /nfs/dbraw/zinc/61/65/71/817616571.db2.gz WTLIKXDYXXNZHQ-CQSZACIVSA-N 0 0 378.384 4.240 20 5 GIBDRN O=C(OCCOc1ccccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006038817 817643428 /nfs/dbraw/zinc/64/34/28/817643428.db2.gz AZCGKSRMNVLKSS-UHFFFAOYSA-N 0 0 390.823 4.084 20 5 GIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Cl)cc1Cl ZINC000006057073 817645477 /nfs/dbraw/zinc/64/54/77/817645477.db2.gz MWFHJPRXVWYUFD-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2Cl)cc1 ZINC000409658862 823276128 /nfs/dbraw/zinc/27/61/28/823276128.db2.gz VNSFBLGRFFMEII-SFHVURJKSA-N 0 0 386.791 4.369 20 5 GIBDRN O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006064958 817647672 /nfs/dbraw/zinc/64/76/72/817647672.db2.gz QBJYYCCSTKALIV-FPYGCLRLSA-N 0 0 395.198 4.097 20 5 GIBDRN COc1cc(CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000176721371 823276833 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4.201 20 5 GIBDRN Cc1sc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1-c1ccc(F)cc1 ZINC000006375781 817685584 /nfs/dbraw/zinc/68/55/84/817685584.db2.gz IEKDOFVRSQFEIF-UHFFFAOYSA-N 0 0 387.392 4.183 20 5 GIBDRN CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000006427676 817689901 /nfs/dbraw/zinc/68/99/01/817689901.db2.gz ZBWXPIQSXITZMQ-UHFFFAOYSA-N 0 0 376.796 4.167 20 5 GIBDRN O=C(COC(=O)c1ccc2ccccc2c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006460469 817693965 /nfs/dbraw/zinc/69/39/65/817693965.db2.gz DAJOUDJPSHZXOJ-UHFFFAOYSA-N 0 0 384.775 4.197 20 5 GIBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000176744287 823283184 /nfs/dbraw/zinc/28/31/84/823283184.db2.gz ZBYSGPKKWVXXFG-QGZVFWFLSA-N 0 0 388.851 4.112 20 5 GIBDRN Cc1c(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000006902248 817722807 /nfs/dbraw/zinc/72/28/07/817722807.db2.gz GUWUFTLMTUPIQN-UHFFFAOYSA-N 0 0 390.395 4.366 20 5 GIBDRN COCCOc1c(Cl)cccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000460079578 823283819 /nfs/dbraw/zinc/28/38/19/823283819.db2.gz VVJCQGOGHAJQHH-UHFFFAOYSA-N 0 0 392.839 4.190 20 5 GIBDRN CCN(CC)C(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176750323 823284029 /nfs/dbraw/zinc/28/40/29/823284029.db2.gz WJNRRQBSFTWVSJ-HNNXBMFYSA-N 0 0 398.463 4.268 20 5 GIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccc(F)cc2)o1 ZINC000006987020 817734942 /nfs/dbraw/zinc/73/49/42/817734942.db2.gz GSISRDULODGIEA-SECBINFHSA-N 0 0 391.742 4.355 20 5 GIBDRN O=C(NC1CC1)[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000006992802 817736793 /nfs/dbraw/zinc/73/67/93/817736793.db2.gz DEXVMZVPXKSYJZ-MRXNPFEDSA-N 0 0 385.470 4.317 20 5 GIBDRN COc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000176751279 823284237 /nfs/dbraw/zinc/28/42/37/823284237.db2.gz OAGYUNOIWXEFJQ-MAUKXSAKSA-N 0 0 383.448 4.172 20 5 GIBDRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176752839 823284252 /nfs/dbraw/zinc/28/42/52/823284252.db2.gz VYVIVVDHXGLIQA-UZLBHIALSA-N 0 0 385.464 4.038 20 5 GIBDRN Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1[N+](=O)[O-] ZINC000057375509 823284285 /nfs/dbraw/zinc/28/42/85/823284285.db2.gz IZNHXTMMQWQVCO-UHFFFAOYSA-N 0 0 389.383 4.481 20 5 GIBDRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000007035339 817743248 /nfs/dbraw/zinc/74/32/48/817743248.db2.gz JVHOVNYPQZDTEF-SNVBAGLBSA-N 0 0 399.230 4.166 20 5 GIBDRN COc1ccc(-c2nc(COC(=O)c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000007035892 817743782 /nfs/dbraw/zinc/74/37/82/817743782.db2.gz KEFAVEYCWHTRSY-UHFFFAOYSA-N 0 0 384.413 4.392 20 5 GIBDRN CCc1ccccc1Nc1nc(N)nc(CSCc2ccccc2[N+](=O)[O-])n1 ZINC000007058045 817749508 /nfs/dbraw/zinc/74/95/08/817749508.db2.gz ISPPNSSZSGAGPQ-UHFFFAOYSA-N 0 0 396.476 4.101 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(Cl)c1Cl ZINC000007108392 817761825 /nfs/dbraw/zinc/76/18/25/817761825.db2.gz OIDLIDZBHOENOY-UHFFFAOYSA-N 0 0 383.187 4.006 20 5 GIBDRN Cc1c(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000176763922 823286777 /nfs/dbraw/zinc/28/67/77/823286777.db2.gz FTQSOVPYDCFCDR-KRWDZBQOSA-N 0 0 394.349 4.136 20 5 GIBDRN Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 ZINC000007186134 817785268 /nfs/dbraw/zinc/78/52/68/817785268.db2.gz PITXNKFOFCMBBJ-UHFFFAOYSA-N 0 0 390.424 4.149 20 5 GIBDRN CSc1ccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC000007185801 817785322 /nfs/dbraw/zinc/78/53/22/817785322.db2.gz YGBDKIAFHXVMEN-UHFFFAOYSA-N 0 0 388.376 4.468 20 5 GIBDRN CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000007185619 817785365 /nfs/dbraw/zinc/78/53/65/817785365.db2.gz VMIUQRHHOLHTCB-SFHVURJKSA-N 0 0 383.448 4.085 20 5 GIBDRN Cc1cc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Br ZINC000007239278 817802433 /nfs/dbraw/zinc/80/24/33/817802433.db2.gz LRGAIWPOBQIKCS-LLVKDONJSA-N 0 0 378.226 4.105 20 5 GIBDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000007248946 817803677 /nfs/dbraw/zinc/80/36/77/817803677.db2.gz FBCPMWOHJKLXBB-UHFFFAOYSA-N 0 0 389.260 4.031 20 5 GIBDRN C[C@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007250923 817804545 /nfs/dbraw/zinc/80/45/45/817804545.db2.gz FYKNEBIPYKHVRH-JTQLQIEISA-N 0 0 388.376 4.133 20 5 GIBDRN CCS[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000176782373 823291733 /nfs/dbraw/zinc/29/17/33/823291733.db2.gz UFZHXYYQDTULQI-IAGOWNOFSA-N 0 0 394.540 4.335 20 5 GIBDRN CC(C)N1C(=O)C[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409721572 823290630 /nfs/dbraw/zinc/29/06/30/823290630.db2.gz RPHJNOIIAKNWLN-SWLSCSKDSA-N 0 0 398.847 4.006 20 5 GIBDRN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1Br ZINC000121996764 823290635 /nfs/dbraw/zinc/29/06/35/823290635.db2.gz DFCGADVYQDJPFW-UHFFFAOYSA-N 0 0 394.181 4.135 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 ZINC000007400056 817830863 /nfs/dbraw/zinc/83/08/63/817830863.db2.gz AHQVTSCYQNNVTD-JTQLQIEISA-N 0 0 381.251 4.477 20 5 GIBDRN CN(Cc1nc(-c2ccccc2Br)no1)c1ccccc1[N+](=O)[O-] ZINC000460134400 823291994 /nfs/dbraw/zinc/29/19/94/823291994.db2.gz KAIIYZNWMMEHSA-UHFFFAOYSA-N 0 0 389.209 4.044 20 5 GIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188722912 823293407 /nfs/dbraw/zinc/29/34/07/823293407.db2.gz MQYPNRITNXISQI-UHFFFAOYSA-N 0 0 396.340 4.143 20 5 GIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccccc4Br)no3)c2c1 ZINC000460138051 823293599 /nfs/dbraw/zinc/29/35/99/823293599.db2.gz UXJDLUAWNRHIHV-UHFFFAOYSA-N 0 0 399.204 4.479 20 5 GIBDRN COc1ccc(-c2nc(-c3ccccc3Br)no2)cc1[N+](=O)[O-] ZINC000460139943 823294654 /nfs/dbraw/zinc/29/46/54/823294654.db2.gz SDQSJZGTPKQAGY-UHFFFAOYSA-N 0 0 376.166 4.083 20 5 GIBDRN Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000007641794 817886387 /nfs/dbraw/zinc/88/63/87/817886387.db2.gz FSESZUAJWFEQTA-ZDUSSCGKSA-N 0 0 383.429 4.433 20 5 GIBDRN CC(C)=CC(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007651192 817887900 /nfs/dbraw/zinc/88/79/00/817887900.db2.gz PDTOOPMVPRXFGK-SFHVURJKSA-N 0 0 388.807 4.437 20 5 GIBDRN O=[N+]([O-])c1ccc(Cc2nc(CCn3ccc4ccccc43)no2)c(Cl)c1 ZINC000460149012 823297840 /nfs/dbraw/zinc/29/78/40/823297840.db2.gz HQDRXYPOXCMUHD-UHFFFAOYSA-N 0 0 382.807 4.419 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC000007687126 817895637 /nfs/dbraw/zinc/89/56/37/817895637.db2.gz DGCTWAADMCNLGI-AWEZNQCLSA-N 0 0 398.893 4.072 20 5 GIBDRN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000176803504 823296769 /nfs/dbraw/zinc/29/67/69/823296769.db2.gz DSNGKORFDDSKOU-UHFFFAOYSA-N 0 0 389.371 4.051 20 5 GIBDRN Cc1ccc(SCCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007740218 817905750 /nfs/dbraw/zinc/90/57/50/817905750.db2.gz ITZWMUOAUMRYMF-UHFFFAOYSA-N 0 0 399.428 4.179 20 5 GIBDRN O=C(NCc1ccccc1F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000007753832 817908066 /nfs/dbraw/zinc/90/80/66/817908066.db2.gz WHXDVNKUPRDCBV-UHFFFAOYSA-N 0 0 379.391 4.276 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007921654 817958577 /nfs/dbraw/zinc/95/85/77/817958577.db2.gz RWRWMLOZMVGELO-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN Cc1c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)sc2cccc(F)c12 ZINC000007933889 817964030 /nfs/dbraw/zinc/96/40/30/817964030.db2.gz ZSUDPERTVXCVOP-UHFFFAOYSA-N 0 0 388.376 4.053 20 5 GIBDRN CS(=O)(=O)c1ccc(Nc2cccc(Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000007984423 817975781 /nfs/dbraw/zinc/97/57/81/817975781.db2.gz SJXNRIYQZKNIAY-UHFFFAOYSA-N 0 0 383.429 4.486 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(SC)cc2)cc1OC ZINC000007997052 817978080 /nfs/dbraw/zinc/97/80/80/817978080.db2.gz NYNZSYUKFCMIJV-UHFFFAOYSA-N 0 0 377.418 4.081 20 5 GIBDRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008016788 817983941 /nfs/dbraw/zinc/98/39/41/817983941.db2.gz RWTMJCGFWWQUTO-LJQANCHMSA-N 0 0 379.460 4.005 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008093775 817999642 /nfs/dbraw/zinc/99/96/42/817999642.db2.gz MSBXNFGAHKJSBV-CYBMUJFWSA-N 0 0 397.456 4.233 20 5 GIBDRN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc2ccccc2o1 ZINC000008144223 818006983 /nfs/dbraw/zinc/00/69/83/818006983.db2.gz PEXXQQBEFKJQLZ-HNNXBMFYSA-N 0 0 393.443 4.435 20 5 GIBDRN Cc1cccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000008143749 818007030 /nfs/dbraw/zinc/00/70/30/818007030.db2.gz IXDZPZGTKGLVBH-UHFFFAOYSA-N 0 0 381.354 4.072 20 5 GIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000008198983 818016578 /nfs/dbraw/zinc/01/65/78/818016578.db2.gz NRMMFBGIRKTAQJ-UHFFFAOYSA-N 0 0 378.753 4.358 20 5 GIBDRN COc1cc(Br)c(C=O)cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000008222087 818019836 /nfs/dbraw/zinc/01/98/36/818019836.db2.gz AQNKXYUXSZGYSK-JTQLQIEISA-N 0 0 380.194 4.318 20 5 GIBDRN CCOc1ccc(CCC2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000010994165 818040864 /nfs/dbraw/zinc/04/08/64/818040864.db2.gz AOEIRMGTUDRFEC-UHFFFAOYSA-N 0 0 397.475 4.061 20 5 GIBDRN Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000010994731 818041508 /nfs/dbraw/zinc/04/15/08/818041508.db2.gz NMCDNBNCYGWMKO-UHFFFAOYSA-N 0 0 398.444 4.017 20 5 GIBDRN CCCCSc1nnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000011068951 818049732 /nfs/dbraw/zinc/04/97/32/818049732.db2.gz LEBHQGVXVCIUQZ-UHFFFAOYSA-N 0 0 398.535 4.094 20 5 GIBDRN Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011311243 818070894 /nfs/dbraw/zinc/07/08/94/818070894.db2.gz UDHIUPWBHKTJHR-UHFFFAOYSA-N 0 0 399.447 4.011 20 5 GIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000122125945 823310062 /nfs/dbraw/zinc/31/00/62/823310062.db2.gz AKCQNNWVMYVWLM-UHFFFAOYSA-N 0 0 381.432 4.028 20 5 GIBDRN O=[N+]([O-])c1cccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)c1 ZINC000011484367 818086863 /nfs/dbraw/zinc/08/68/63/818086863.db2.gz ULNXIUVVXVXBSP-UHFFFAOYSA-N 0 0 399.476 4.110 20 5 GIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 ZINC000011484377 818086903 /nfs/dbraw/zinc/08/69/03/818086903.db2.gz BRVRAFAMDIZTOM-UHFFFAOYSA-N 0 0 399.476 4.110 20 5 GIBDRN O=[N+]([O-])c1ccc(F)cc1OC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000011521217 818092118 /nfs/dbraw/zinc/09/21/18/818092118.db2.gz JVQIUYDGDFONRH-GOSISDBHSA-N 0 0 383.375 4.220 20 5 GIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCC(c1ccccc1)c1ccccc1 ZINC000011563676 818095469 /nfs/dbraw/zinc/09/54/69/818095469.db2.gz IXCDVWLDUBEIGW-UHFFFAOYSA-N 0 0 389.455 4.345 20 5 GIBDRN O=Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011642574 818103510 /nfs/dbraw/zinc/10/35/10/818103510.db2.gz ROSRIXZQBSYDCC-UHFFFAOYSA-N 0 0 390.395 4.020 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000188821393 823313319 /nfs/dbraw/zinc/31/33/19/823313319.db2.gz KSAXRBZSGMMLJL-QGZVFWFLSA-N 0 0 375.812 4.162 20 5 GIBDRN C[C@@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011810461 818121866 /nfs/dbraw/zinc/12/18/66/818121866.db2.gz JAYNBNKBCAQAGQ-SSDOTTSWSA-N 0 0 397.174 4.198 20 5 GIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccc(OC)cc1)C1CC1 ZINC000460202034 823315441 /nfs/dbraw/zinc/31/54/41/823315441.db2.gz DFOJCVNVDBBWAD-UHFFFAOYSA-N 0 0 393.447 4.051 20 5 GIBDRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000012178642 818144994 /nfs/dbraw/zinc/14/49/94/818144994.db2.gz KJRXXZFYXJDJIH-UHFFFAOYSA-N 0 0 375.793 4.273 20 5 GIBDRN CCn1c(Cc2ccc(F)cc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460216625 823320385 /nfs/dbraw/zinc/32/03/85/823320385.db2.gz OEZBQWLPSMXQQV-UHFFFAOYSA-N 0 0 395.438 4.105 20 5 GIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435942 818159453 /nfs/dbraw/zinc/15/94/53/818159453.db2.gz NYDKDQXGGOGKJL-LBPRGKRZSA-N 0 0 385.445 4.063 20 5 GIBDRN COc1cc(OCC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000409822001 823316794 /nfs/dbraw/zinc/31/67/94/823316794.db2.gz UFWRCSPHZOWPLQ-JTQLQIEISA-N 0 0 399.230 4.166 20 5 GIBDRN O=C([O-])/C=C/c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000013037577 818201196 /nfs/dbraw/zinc/20/11/96/818201196.db2.gz DFWXLSBNNYIBDC-PKNBQFBNSA-N 0 0 395.459 4.291 20 5 GIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000122192435 823319734 /nfs/dbraw/zinc/31/97/34/823319734.db2.gz XKHCUTANBUDJSD-UHFFFAOYSA-N 0 0 395.390 4.170 20 5 GIBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000014101252 818223198 /nfs/dbraw/zinc/22/31/98/818223198.db2.gz AOSWIDXZRSLUCC-INIZCTEOSA-N 0 0 380.853 4.082 20 5 GIBDRN Cc1cccc(C)c1OCCSCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057684581 823321265 /nfs/dbraw/zinc/32/12/65/823321265.db2.gz ZXDROZYAAAWTGG-UHFFFAOYSA-N 0 0 375.446 4.390 20 5 GIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000572329489 823321804 /nfs/dbraw/zinc/32/18/04/823321804.db2.gz NRCMQJBDCOGNNM-UHFFFAOYSA-N 0 0 386.795 4.184 20 5 GIBDRN COc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000014328260 818235740 /nfs/dbraw/zinc/23/57/40/818235740.db2.gz ZOVGJUOPZVJPNN-UHFFFAOYSA-N 0 0 391.427 4.251 20 5 GIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000014375475 818239537 /nfs/dbraw/zinc/23/95/37/818239537.db2.gz HTRVBYXYVRHELU-UHFFFAOYSA-N 0 0 389.820 4.389 20 5 GIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(C(F)(F)F)c1 ZINC000014574626 818251419 /nfs/dbraw/zinc/25/14/19/818251419.db2.gz JRVURMYWNCKHCV-LLVKDONJSA-N 0 0 381.354 4.171 20 5 GIBDRN Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1[N+](=O)[O-] ZINC000014582392 818252190 /nfs/dbraw/zinc/25/21/90/818252190.db2.gz LKASEURASJUVLP-UHFFFAOYSA-N 0 0 386.458 4.299 20 5 GIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccnn3C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000409844527 823323172 /nfs/dbraw/zinc/32/31/72/823323172.db2.gz UQXMSWJXDFRLMX-HUUCEWRRSA-N 0 0 399.495 4.281 20 5 GIBDRN CC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1ccccc1 ZINC000014658177 818256352 /nfs/dbraw/zinc/25/63/52/818256352.db2.gz BWGICTXZKPOTJW-UHFFFAOYSA-N 0 0 381.413 4.482 20 5 GIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)C1CC1 ZINC000014729770 818262611 /nfs/dbraw/zinc/26/26/11/818262611.db2.gz KMGMTIRHEGWQPN-DEOSSOPVSA-N 0 0 382.463 4.422 20 5 GIBDRN CC(C)(C)c1csc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000014793802 818267003 /nfs/dbraw/zinc/26/70/03/818267003.db2.gz SOLIKKMQWBRTCD-UHFFFAOYSA-N 0 0 388.493 4.204 20 5 GIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000014824844 818269900 /nfs/dbraw/zinc/26/99/00/818269900.db2.gz HXAAUMAHGLNQRC-UHFFFAOYSA-N 0 0 383.187 4.331 20 5 GIBDRN O=C(NC1(c2ccccc2)CCOCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572341029 823324445 /nfs/dbraw/zinc/32/44/45/823324445.db2.gz RWVRUXGXGCRHLY-UHFFFAOYSA-N 0 0 394.349 4.049 20 5 GIBDRN CSCc1c2ccccc2oc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000015093445 818289321 /nfs/dbraw/zinc/28/93/21/818289321.db2.gz FCBXKLLLMMNLMF-UHFFFAOYSA-N 0 0 385.445 4.046 20 5 GIBDRN Cc1ccc(OCCN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000015102759 818290794 /nfs/dbraw/zinc/29/07/94/818290794.db2.gz GLWWTVXBKDHYGN-OAHLLOKOSA-N 0 0 382.420 4.025 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc(F)cc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122247237 823327214 /nfs/dbraw/zinc/32/72/14/823327214.db2.gz DPCXGAWUWZZHST-UHFFFAOYSA-N 0 0 396.422 4.132 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000015289018 818306455 /nfs/dbraw/zinc/30/64/55/818306455.db2.gz NAOBZPNEIGUQJZ-NSHDSACASA-N 0 0 382.247 4.499 20 5 GIBDRN COc1ccc(-n2ccnc2SCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000176934474 823328327 /nfs/dbraw/zinc/32/83/27/823328327.db2.gz APEVRKJQQWMBHJ-UHFFFAOYSA-N 0 0 382.401 4.223 20 5 GIBDRN Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000015408900 818322322 /nfs/dbraw/zinc/32/23/22/818322322.db2.gz YEHDOKSVJLLRBE-UHFFFAOYSA-N 0 0 390.395 4.152 20 5 GIBDRN COCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000015437752 818325915 /nfs/dbraw/zinc/32/59/15/818325915.db2.gz SPVZZFNYGNHROO-UHFFFAOYSA-N 0 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ZINC000015596755 818344416 /nfs/dbraw/zinc/34/44/16/818344416.db2.gz YOAZPXOOXDNPAU-UHFFFAOYSA-N 0 0 382.294 4.043 20 5 GIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000122267054 823330214 /nfs/dbraw/zinc/33/02/14/823330214.db2.gz FQDCEQIXAKIDGR-MRXNPFEDSA-N 0 0 395.337 4.219 20 5 GIBDRN COc1ccc(C)cc1-c1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000015637311 818351807 /nfs/dbraw/zinc/35/18/07/818351807.db2.gz HXZRDENCESTQLA-UHFFFAOYSA-N 0 0 399.428 4.053 20 5 GIBDRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000015654960 818355923 /nfs/dbraw/zinc/35/59/23/818355923.db2.gz GVAAKHLFZUWRNN-UHFFFAOYSA-N 0 0 398.422 4.300 20 5 GIBDRN COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000015697497 818359797 /nfs/dbraw/zinc/35/97/97/818359797.db2.gz IMMNTPRHKZEKOA-AWEZNQCLSA-N 0 0 397.456 4.233 20 5 GIBDRN CNc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000015789076 818367037 /nfs/dbraw/zinc/36/70/37/818367037.db2.gz YFHRMNPUHLLPKX-UHFFFAOYSA-N 0 0 375.428 4.198 20 5 GIBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/c1ccccc1 ZINC000016014825 818384585 /nfs/dbraw/zinc/38/45/85/818384585.db2.gz COAGKTFNZOGRKK-VAWYXSNFSA-N 0 0 392.415 4.095 20 5 GIBDRN Cc1c(Br)scc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000572404143 823333284 /nfs/dbraw/zinc/33/32/84/823333284.db2.gz WXDUTCYTRPKBAM-UHFFFAOYSA-N 0 0 381.211 4.026 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016139749 818396606 /nfs/dbraw/zinc/39/66/06/818396606.db2.gz QEGRGOICAKMBDL-MRXNPFEDSA-N 0 0 390.823 4.061 20 5 GIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144561 818397883 /nfs/dbraw/zinc/39/78/83/818397883.db2.gz BAYGUJBSEIRQKC-MRXNPFEDSA-N 0 0 390.823 4.061 20 5 GIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccoc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016157151 818399142 /nfs/dbraw/zinc/39/91/42/818399142.db2.gz ZDVBVDGFGUISJL-GOSISDBHSA-N 0 0 380.356 4.033 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000057799201 823334284 /nfs/dbraw/zinc/33/42/84/823334284.db2.gz KCYHKSGKINATIX-UHFFFAOYSA-N 0 0 382.416 4.125 20 5 GIBDRN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000016196181 818404853 /nfs/dbraw/zinc/40/48/53/818404853.db2.gz AZFBBTYQBBEJEO-GFCCVEGCSA-N 0 0 388.445 4.063 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 ZINC000016197141 818405559 /nfs/dbraw/zinc/40/55/59/818405559.db2.gz XICPBJGPJPXYDF-ZDUSSCGKSA-N 0 0 388.445 4.118 20 5 GIBDRN COc1ccc(NC(=O)CNc2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000176958672 823334849 /nfs/dbraw/zinc/33/48/49/823334849.db2.gz GNMVCJLKTNJIJK-UHFFFAOYSA-N 0 0 397.353 4.149 20 5 GIBDRN Cc1c(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000176958490 823334891 /nfs/dbraw/zinc/33/48/91/823334891.db2.gz SKIMYIQSIXBHJR-CJNGLKHVSA-N 0 0 375.450 4.085 20 5 GIBDRN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cc1ccccc1 ZINC000016273984 818414374 /nfs/dbraw/zinc/41/43/74/818414374.db2.gz VZDSOOQAUIXMFL-UHFFFAOYSA-N 0 0 376.412 4.375 20 5 GIBDRN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016300790 818418442 /nfs/dbraw/zinc/41/84/42/818418442.db2.gz BJMWRWBNWDPMJN-HNNXBMFYSA-N 0 0 387.436 4.275 20 5 GIBDRN O=[N+]([O-])c1ccc(CSc2nnc(NCc3ccc(F)cc3)s2)cc1 ZINC000016334353 818425136 /nfs/dbraw/zinc/42/51/36/818425136.db2.gz TZVBFXNSVUQCTO-UHFFFAOYSA-N 0 0 376.438 4.490 20 5 GIBDRN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000409888929 823336649 /nfs/dbraw/zinc/33/66/49/823336649.db2.gz SHXSLELMKDMQOJ-LLVKDONJSA-N 0 0 383.326 4.419 20 5 GIBDRN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cccc(F)c1F ZINC000016656327 818463224 /nfs/dbraw/zinc/46/32/24/818463224.db2.gz RUEWSKPEVFCWMN-UHFFFAOYSA-N 0 0 390.264 4.047 20 5 GIBDRN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016709608 818467740 /nfs/dbraw/zinc/46/77/40/818467740.db2.gz HSTSKZAALAGSGZ-CQSZACIVSA-N 0 0 393.808 4.123 20 5 GIBDRN NC(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000016738988 818472469 /nfs/dbraw/zinc/47/24/69/818472469.db2.gz GRUYFBBIOQYVLL-UHFFFAOYSA-N 0 0 381.363 4.237 20 5 GIBDRN O=C(Nc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1)c1cccs1 ZINC000057836914 823339626 /nfs/dbraw/zinc/33/96/26/823339626.db2.gz LNYMCIQULNEAKP-UHFFFAOYSA-N 0 0 393.424 4.112 20 5 GIBDRN CCCOc1c(Cl)cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000057836429 823339723 /nfs/dbraw/zinc/33/97/23/823339723.db2.gz HROVBMFKUXSKID-UHFFFAOYSA-N 0 0 390.823 4.249 20 5 GIBDRN Cc1ccc(-n2nc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)c3c2CCC3)c(F)c1 ZINC000409900810 823339868 /nfs/dbraw/zinc/33/98/68/823339868.db2.gz IRDVAZYLRKSWJR-UHFFFAOYSA-N 0 0 398.369 4.108 20 5 GIBDRN Cc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000016969679 818494758 /nfs/dbraw/zinc/49/47/58/818494758.db2.gz AOLOPIOXCXTUDD-UHFFFAOYSA-N 0 0 388.851 4.035 20 5 GIBDRN COc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC000017123989 818500962 /nfs/dbraw/zinc/50/09/62/818500962.db2.gz VIQHCUAXLSHQMM-AWEZNQCLSA-N 0 0 399.447 4.101 20 5 GIBDRN CC1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000017355493 818511371 /nfs/dbraw/zinc/51/13/71/818511371.db2.gz UKXYZJOMGVPCOQ-UHFFFAOYSA-N 0 0 399.413 4.089 20 5 GIBDRN CSc1ccc(C(=O)NCCSCc2ccccc2F)cc1[N+](=O)[O-] ZINC000017604397 818522120 /nfs/dbraw/zinc/52/21/20/818522120.db2.gz NKOXYQFEDXYVCK-UHFFFAOYSA-N 0 0 380.466 4.119 20 5 GIBDRN C[C@@H](OC(=O)c1c[nH]c2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017940874 818534868 /nfs/dbraw/zinc/53/48/68/818534868.db2.gz DQOUOKWICVMYML-LLVKDONJSA-N 0 0 378.344 4.044 20 5 GIBDRN O=[N+]([O-])c1cccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)c1 ZINC000017951485 818535232 /nfs/dbraw/zinc/53/52/32/818535232.db2.gz FOSMWKUSESFGJB-UHFFFAOYSA-N 0 0 395.488 4.458 20 5 GIBDRN CN(Cc1cccc(F)c1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018081062 818544167 /nfs/dbraw/zinc/54/41/67/818544167.db2.gz ZTGFWBTWDQIRGH-UHFFFAOYSA-N 0 0 399.344 4.213 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000018234594 818559380 /nfs/dbraw/zinc/55/93/80/818559380.db2.gz MRTCJVDIDMXSRS-UHFFFAOYSA-N 0 0 378.479 4.468 20 5 GIBDRN C[C@H](OC(=O)c1cc2cc(Cl)ccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000018751154 818576373 /nfs/dbraw/zinc/57/63/73/818576373.db2.gz ZOSUVTJZPHZLSC-JTQLQIEISA-N 0 0 388.763 4.178 20 5 GIBDRN Cc1nc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cs1 ZINC000018895416 818579778 /nfs/dbraw/zinc/57/97/78/818579778.db2.gz WABLHDJDDIHISU-UHFFFAOYSA-N 0 0 389.458 4.136 20 5 GIBDRN Cc1c(-c2ccccc2)sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c12 ZINC000018960000 818583062 /nfs/dbraw/zinc/58/30/62/818583062.db2.gz CQNXGCCLIJBNTQ-UHFFFAOYSA-N 0 0 377.425 4.390 20 5 GIBDRN O=C(CCCOc1cccc(Br)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000019161264 818585814 /nfs/dbraw/zinc/58/58/14/818585814.db2.gz FHBJSFQFJKKHKK-UHFFFAOYSA-N 0 0 379.210 4.155 20 5 GIBDRN CCN(Cc1ccccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)=O ZINC000177006246 823348054 /nfs/dbraw/zinc/34/80/54/823348054.db2.gz QGQXEZUPSPLCLC-UHFFFAOYSA-N 0 0 398.463 4.020 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122402070 823349720 /nfs/dbraw/zinc/34/97/20/823349720.db2.gz HBBUMLRQLZYVHB-OAHLLOKOSA-N 0 0 388.851 4.108 20 5 GIBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2ccccc2c2ccccc12 ZINC000020036647 818611328 /nfs/dbraw/zinc/61/13/28/818611328.db2.gz VNOCZDPWBGJXPC-UHFFFAOYSA-N 0 0 383.363 4.092 20 5 GIBDRN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000020836111 818633260 /nfs/dbraw/zinc/63/32/60/818633260.db2.gz YSSWDBQEVFQUAB-AWEZNQCLSA-N 0 0 381.432 4.286 20 5 GIBDRN CCOc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000021071706 818651611 /nfs/dbraw/zinc/65/16/11/818651611.db2.gz AINHDUWGURHQOA-UHFFFAOYSA-N 0 0 382.460 4.479 20 5 GIBDRN COc1ccc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)c([N+](=O)[O-])c1 ZINC000021105963 818653432 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Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572544082 823357761 /nfs/dbraw/zinc/35/77/61/823357761.db2.gz RAFBHJXBNDWNKQ-HNAYVOBHSA-N 0 0 392.459 4.048 20 5 GIBDRN COc1cc(-c2nc(-c3cccnc3N3CCCCC3)no2)cc([N+](=O)[O-])c1C ZINC000572560893 823361327 /nfs/dbraw/zinc/36/13/27/823361327.db2.gz CYJSPYLKHSVJMR-UHFFFAOYSA-N 0 0 395.419 4.014 20 5 GIBDRN O=C(CCOc1ccccc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460358654 823363342 /nfs/dbraw/zinc/36/33/42/823363342.db2.gz XPHJHCVTZMPDBD-GOSISDBHSA-N 0 0 392.864 4.291 20 5 GIBDRN O=C(Nc1ncccc1O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000022262166 818787629 /nfs/dbraw/zinc/78/76/29/818787629.db2.gz YRAPBTMHOSVJLQ-UHFFFAOYSA-N 0 0 398.806 4.213 20 5 GIBDRN Cc1c(NC(=O)[C@H](C)Sc2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000022398588 818801679 /nfs/dbraw/zinc/80/16/79/818801679.db2.gz DNBWCBVPLYXFRO-ZDUSSCGKSA-N 0 0 388.445 4.184 20 5 GIBDRN C[C@H](C(=O)NCc1nc(-c2ccccc2F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000572579653 823364857 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C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000022973073 818881690 /nfs/dbraw/zinc/88/16/90/818881690.db2.gz KTVQHHVYYSMGFA-HOTGVXAUSA-N 0 0 388.489 4.360 20 5 GIBDRN O=C(c1cnccc1Oc1ccccc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000410018155 823372455 /nfs/dbraw/zinc/37/24/55/823372455.db2.gz BLVVJMDUYCTQRD-UHFFFAOYSA-N 0 0 375.384 4.375 20 5 GIBDRN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000023222103 818911891 /nfs/dbraw/zinc/91/18/91/818911891.db2.gz PMCCIGWWEZOZBH-ZDUSSCGKSA-N 0 0 398.415 4.008 20 5 GIBDRN CCOC(=O)c1cc(C(=O)N(CC)Cc2ccc(Cl)s2)cc([N+](=O)[O-])c1 ZINC000023228744 818914508 /nfs/dbraw/zinc/91/45/08/818914508.db2.gz XUKOBVCRAJWIKN-UHFFFAOYSA-N 0 0 396.852 4.149 20 5 GIBDRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(OC(F)F)c1 ZINC000189202015 823374939 /nfs/dbraw/zinc/37/49/39/823374939.db2.gz NEEAWZVXCHRVKK-UHFFFAOYSA-N 0 0 389.314 4.005 20 5 GIBDRN CC(C)Oc1cccc([C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000058301776 823376486 /nfs/dbraw/zinc/37/64/86/823376486.db2.gz MMRKXRFMEOWBAS-MRXNPFEDSA-N 0 0 385.464 4.452 20 5 GIBDRN CCCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(Cl)cc1 ZINC000023616017 818965295 /nfs/dbraw/zinc/96/52/95/818965295.db2.gz XRIBDOWDHQAGSG-UHFFFAOYSA-N 0 0 375.841 4.463 20 5 GIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000023786416 818984318 /nfs/dbraw/zinc/98/43/18/818984318.db2.gz UWXSDFMMVJXBSS-UHFFFAOYSA-N 0 0 397.431 4.467 20 5 GIBDRN Cc1nc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)oc1C ZINC000058314842 823377776 /nfs/dbraw/zinc/37/77/76/823377776.db2.gz ROCMMTLYLSDDHM-ZDUSSCGKSA-N 0 0 396.403 4.125 20 5 GIBDRN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000460405545 823378283 /nfs/dbraw/zinc/37/82/83/823378283.db2.gz AFWDLGUMAFGKST-OLZOCXBDSA-N 0 0 394.880 4.313 20 5 GIBDRN CC(C)(C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(-c2ccccc2)n1 ZINC000572664972 823378307 /nfs/dbraw/zinc/37/83/07/823378307.db2.gz ZBTFNJPFQHICNN-UHFFFAOYSA-N 0 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COc1ccc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)c([N+](=O)[O-])c1 ZINC000410148396 823401853 /nfs/dbraw/zinc/40/18/53/823401853.db2.gz FUTGZLCSAPNCDQ-UHFFFAOYSA-N 0 0 386.404 4.186 20 5 GIBDRN CN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000058520528 823403268 /nfs/dbraw/zinc/40/32/68/823403268.db2.gz DZVUKCMAHQZPMI-UHFFFAOYSA-N 0 0 392.440 4.177 20 5 GIBDRN Cc1ccc(Sc2ccc(CNCc3cc(C(N)=O)co3)cc2[N+](=O)[O-])cc1 ZINC000189403473 823408968 /nfs/dbraw/zinc/40/89/68/823408968.db2.gz BLNFNDKUGDHYRG-UHFFFAOYSA-N 0 0 397.456 4.036 20 5 GIBDRN CCS[C@H](C)c1noc(COc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000122751153 823405447 /nfs/dbraw/zinc/40/54/47/823405447.db2.gz OPQDPQMCSBDLIZ-MRVPVSSYSA-N 0 0 388.243 4.133 20 5 GIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460488014 823405698 /nfs/dbraw/zinc/40/56/98/823405698.db2.gz GPMOWHLNUPQNNY-UHFFFAOYSA-N 0 0 385.420 4.138 20 5 GIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000460489847 823406068 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Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460541821 823425436 /nfs/dbraw/zinc/42/54/36/823425436.db2.gz BARHXQJYIOHTBH-HNNXBMFYSA-N 0 0 387.867 4.076 20 5 GIBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])o1 ZINC000189486757 823428154 /nfs/dbraw/zinc/42/81/54/823428154.db2.gz JDKOKQYOFASWDE-LBPRGKRZSA-N 0 0 380.784 4.041 20 5 GIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)onc1C(F)(F)F ZINC000573016323 823434363 /nfs/dbraw/zinc/43/43/63/823434363.db2.gz NWBZXORDRSHEIA-UHFFFAOYSA-N 0 0 395.240 4.018 20 5 GIBDRN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000410242387 823431481 /nfs/dbraw/zinc/43/14/81/823431481.db2.gz UQUQMVYHYMPWOG-LBPRGKRZSA-N 0 0 377.238 4.281 20 5 GIBDRN COc1cccc(C2(F)CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)c1 ZINC000410242149 823431509 /nfs/dbraw/zinc/43/15/09/823431509.db2.gz RNNSYDZZACODKZ-UHFFFAOYSA-N 0 0 392.814 4.358 20 5 GIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)C[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000177323305 823433467 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GIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000026254718 820075939 /nfs/dbraw/zinc/07/59/39/820075939.db2.gz DYLFIGKQGSPPEA-UHFFFAOYSA-N 0 0 383.791 4.475 20 5 GIBDRN COc1cc(C(=O)Nc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1OC ZINC000026267111 820077018 /nfs/dbraw/zinc/07/70/18/820077018.db2.gz IPVNLMZHUKRSHA-UHFFFAOYSA-N 0 0 393.808 4.127 20 5 GIBDRN CCC(CC)c1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000026562812 820114637 /nfs/dbraw/zinc/11/46/37/820114637.db2.gz QGIGZEWGSNJZFD-SNVBAGLBSA-N 0 0 380.495 4.469 20 5 GIBDRN CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000026581125 820117104 /nfs/dbraw/zinc/11/71/04/820117104.db2.gz OEYLJLRRJYHAMX-LSDHHAIUSA-N 0 0 397.544 4.355 20 5 GIBDRN CCOc1ccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC000026681492 820131423 /nfs/dbraw/zinc/13/14/23/820131423.db2.gz FATCHPSLZBJLDD-UHFFFAOYSA-N 0 0 386.335 4.145 20 5 GIBDRN COc1ccc(CSCC(=O)NCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000410300008 823455476 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GIBDRN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1C(C)C ZINC000123097155 823461806 /nfs/dbraw/zinc/46/18/06/823461806.db2.gz QMVNMIAGSRWDGJ-UHFFFAOYSA-N 0 0 391.855 4.483 20 5 GIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1F)C1CC1 ZINC000027250772 820215938 /nfs/dbraw/zinc/21/59/38/820215938.db2.gz XTKQXPRPSNYGGV-UHFFFAOYSA-N 0 0 397.450 4.142 20 5 GIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000027533503 820256596 /nfs/dbraw/zinc/25/65/96/820256596.db2.gz JZJFRNANZWHRLX-UHFFFAOYSA-N 0 0 393.900 4.277 20 5 GIBDRN C[C@H](c1cccs1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027554291 820259125 /nfs/dbraw/zinc/25/91/25/820259125.db2.gz JLEWFGVPJOZMCA-SNVBAGLBSA-N 0 0 398.282 4.050 20 5 GIBDRN CC(=O)c1cc(N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000573215878 823466694 /nfs/dbraw/zinc/46/66/94/823466694.db2.gz GDBKUTVQCLAFME-AWEZNQCLSA-N 0 0 387.867 4.334 20 5 GIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000028043353 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4.271 20 5 GIBDRN CC(C)=CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000028302324 820323482 /nfs/dbraw/zinc/32/34/82/820323482.db2.gz YYNBOZADFDSNJZ-SFHVURJKSA-N 0 0 388.807 4.437 20 5 GIBDRN O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000028301532 820323492 /nfs/dbraw/zinc/32/34/92/820323492.db2.gz CPAYRVNRADOMFD-UHFFFAOYSA-N 0 0 377.824 4.191 20 5 GIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000028328684 820325080 /nfs/dbraw/zinc/32/50/80/820325080.db2.gz PZGLIYZTYDPEQJ-IFXJQAMLSA-N 0 0 386.473 4.448 20 5 GIBDRN Cc1cc(C)c(Br)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000460663212 823470757 /nfs/dbraw/zinc/47/07/57/823470757.db2.gz JNPHTGUFRCVIBO-GFCCVEGCSA-N 0 0 377.238 4.465 20 5 GIBDRN O=C(CCc1ccc(Cl)cc1Cl)NCCNc1ccccc1[N+](=O)[O-] ZINC000028442129 820337245 /nfs/dbraw/zinc/33/72/45/820337245.db2.gz VSBKWHDACZKNDZ-UHFFFAOYSA-N 0 0 382.247 4.063 20 5 GIBDRN Cc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000028518095 820343762 /nfs/dbraw/zinc/34/37/62/820343762.db2.gz VFTINNHRGCDAMY-INIZCTEOSA-N 0 0 384.432 4.023 20 5 GIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177480273 823472385 /nfs/dbraw/zinc/47/23/85/823472385.db2.gz PLGWQLZNHSVMOK-UHFFFAOYSA-N 0 0 397.460 4.165 20 5 GIBDRN C[C@@H]1C[C@@]1(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000410357822 823473157 /nfs/dbraw/zinc/47/31/57/823473157.db2.gz CFGUPTMIUXTXFP-ODXCJYRJSA-N 0 0 383.835 4.324 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189682701 823474406 /nfs/dbraw/zinc/47/44/06/823474406.db2.gz BBDBRQARMTXCKU-HNNXBMFYSA-N 0 0 382.445 4.414 20 5 GIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000029013552 820383601 /nfs/dbraw/zinc/38/36/01/820383601.db2.gz RYKHGTOXCCBXSL-UHFFFAOYSA-N 0 0 396.350 4.328 20 5 GIBDRN COc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)c2c[nH]c3ccccc32)cc1 ZINC000029165179 820403527 /nfs/dbraw/zinc/40/35/27/820403527.db2.gz 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O=C(Nc1ccnn1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000045290248 822376390 /nfs/dbraw/zinc/37/63/90/822376390.db2.gz DEMXJIYUDPBCKT-UHFFFAOYSA-N 0 0 378.413 4.307 20 5 GIBDRN CC(C)Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1[C@]1(C)CCCO1 ZINC000453484907 822376861 /nfs/dbraw/zinc/37/68/61/822376861.db2.gz WVAQNXHUFWVAER-NRFANRHFSA-N 0 0 399.495 4.037 20 5 GIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000045328960 822379079 /nfs/dbraw/zinc/37/90/79/822379079.db2.gz QYLLSDKCGYRMAB-HNNXBMFYSA-N 0 0 376.796 4.058 20 5 GIBDRN CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000178447285 822379875 /nfs/dbraw/zinc/37/98/75/822379875.db2.gz HXGQKOJUNHSVIX-UHFFFAOYSA-N 0 0 389.839 4.257 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCCC2)cc1OC ZINC000045467890 822389253 /nfs/dbraw/zinc/38/92/53/822389253.db2.gz VSTQIANHTPVTRK-UHFFFAOYSA-N 0 0 388.420 4.180 20 5 GIBDRN Cc1c(CC(=O)N(C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000178615417 822396519 /nfs/dbraw/zinc/39/65/19/822396519.db2.gz YQSCKWFJXMHRQO-UHFFFAOYSA-N 0 0 381.201 4.010 20 5 GIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178673697 822401626 /nfs/dbraw/zinc/40/16/26/822401626.db2.gz MZZQNNKKGBAYFP-QMMMGPOBSA-N 0 0 391.396 4.151 20 5 GIBDRN C[C@@H](C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182971499 822402188 /nfs/dbraw/zinc/40/21/88/822402188.db2.gz YBEGISIXQOUGRV-CQSZACIVSA-N 0 0 399.422 4.102 20 5 GIBDRN Cc1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000178684742 822402788 /nfs/dbraw/zinc/40/27/88/822402788.db2.gz BOLRLUGTGQBHPK-UHFFFAOYSA-N 0 0 394.309 4.012 20 5 GIBDRN O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])Nc1cccnc1Cl ZINC000178703932 822404195 /nfs/dbraw/zinc/40/41/95/822404195.db2.gz NLWXEULMOTTYJE-UHFFFAOYSA-N 0 0 397.818 4.252 20 5 GIBDRN CCn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccn1 ZINC000178719580 822405519 /nfs/dbraw/zinc/40/55/19/822405519.db2.gz IJIFFNNYBHUVPB-UHFFFAOYSA-N 0 0 375.841 4.214 20 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/nfs/dbraw/zinc/42/56/86/822425686.db2.gz YTJQVMYHZIMYKT-AWEZNQCLSA-N 0 0 380.510 4.016 20 5 GIBDRN Cc1nc(CC(C)C)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000183123614 822427540 /nfs/dbraw/zinc/42/75/40/822427540.db2.gz HFEZQOSJWWADTR-UHFFFAOYSA-N 0 0 385.392 4.412 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000454140406 822432893 /nfs/dbraw/zinc/43/28/93/822432893.db2.gz VZZZLRRJLHTFLH-UHFFFAOYSA-N 0 0 395.337 4.254 20 5 GIBDRN C[C@H](c1ccccn1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179043834 822433016 /nfs/dbraw/zinc/43/30/16/822433016.db2.gz NXWOOXOYBYTASA-SECBINFHSA-N 0 0 398.644 4.239 20 5 GIBDRN CCOc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cnc3C)n2)cc1 ZINC000046019448 822435357 /nfs/dbraw/zinc/43/53/57/822435357.db2.gz PGEOWZADYOLLLF-UHFFFAOYSA-N 0 0 384.417 4.073 20 5 GIBDRN O=C(N=c1[nH]cc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046026998 822436174 /nfs/dbraw/zinc/43/61/74/822436174.db2.gz BEPWKJCWTAZRKM-UHFFFAOYSA-N 0 0 391.811 4.109 20 5 GIBDRN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183183873 822437140 /nfs/dbraw/zinc/43/71/40/822437140.db2.gz UUUQHNDVLZVHTL-UHFFFAOYSA-N 0 0 379.363 4.131 20 5 GIBDRN C[C@@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000183196196 822439635 /nfs/dbraw/zinc/43/96/35/822439635.db2.gz JKKMNMKKFPHUAH-HUUCEWRRSA-N 0 0 379.420 4.164 20 5 GIBDRN COc1cc(C)c(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000454229950 822441276 /nfs/dbraw/zinc/44/12/76/822441276.db2.gz GSTMLOHJKVRFEG-MRXNPFEDSA-N 0 0 399.447 4.332 20 5 GIBDRN COc1ccc(CSCC(=O)N2CCc3sccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000046184775 822447920 /nfs/dbraw/zinc/44/79/20/822447920.db2.gz QWSOKQLRLQXCCJ-LBPRGKRZSA-N 0 0 392.502 4.044 20 5 GIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000046223193 822451829 /nfs/dbraw/zinc/45/18/29/822451829.db2.gz UVPOAKPNLZNXIS-UHFFFAOYSA-N 0 0 383.404 4.101 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000046223494 822451853 /nfs/dbraw/zinc/45/18/53/822451853.db2.gz UQRRPRIOYQSZHM-UHFFFAOYSA-N 0 0 385.420 4.059 20 5 GIBDRN Cc1cc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)s1 ZINC000046240618 822453612 /nfs/dbraw/zinc/45/36/12/822453612.db2.gz YZLKVQJZSFRJKK-CQSZACIVSA-N 0 0 387.505 4.367 20 5 GIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179235996 822455605 /nfs/dbraw/zinc/45/56/05/822455605.db2.gz NZFCIAALRXOYBK-OAHLLOKOSA-N 0 0 376.796 4.058 20 5 GIBDRN COc1cccc([C@@H](C)NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454309898 822455966 /nfs/dbraw/zinc/45/59/66/822455966.db2.gz WTWRANWDFADSER-QAPCUYQASA-N 0 0 383.448 4.254 20 5 GIBDRN C[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000454338543 822459520 /nfs/dbraw/zinc/45/95/20/822459520.db2.gz NZUOGIBAZHODOD-MEDUHNTESA-N 0 0 375.425 4.331 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2nc(CNc3cc4c(cc3Cl)OCCO4)co2)cc1 ZINC000179274335 822459695 /nfs/dbraw/zinc/45/96/95/822459695.db2.gz CWBORNZGXSFJQD-UHFFFAOYSA-N 0 0 387.779 4.287 20 5 GIBDRN CCCCOc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000046338613 822462705 /nfs/dbraw/zinc/46/27/05/822462705.db2.gz YVBVLHOKMYDUAH-OAHLLOKOSA-N 0 0 386.448 4.202 20 5 GIBDRN CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)Cc1ccccc1[N+](=O)[O-] ZINC000179315551 822465075 /nfs/dbraw/zinc/46/50/75/822465075.db2.gz RXYQGNFFYVLKDD-UHFFFAOYSA-N 0 0 378.354 4.132 20 5 GIBDRN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccncc1 ZINC000046367435 822466399 /nfs/dbraw/zinc/46/63/99/822466399.db2.gz ROTWHZDIPZYJJY-UHFFFAOYSA-N 0 0 396.790 4.148 20 5 GIBDRN C[C@@H](C(=O)NCc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183399661 822468227 /nfs/dbraw/zinc/46/82/27/822468227.db2.gz CHFJHVMGSJNYCE-SECBINFHSA-N 0 0 399.191 4.055 20 5 GIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000183400698 822468463 /nfs/dbraw/zinc/46/84/63/822468463.db2.gz GIJQFHJTTHZIMS-YJBOKZPZSA-N 0 0 398.887 4.117 20 5 GIBDRN COc1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c([N+](=O)[O-])cc1OC ZINC000046393614 822468812 /nfs/dbraw/zinc/46/88/12/822468812.db2.gz SWFAIYXKEYNKJI-UHFFFAOYSA-N 0 0 385.376 4.129 20 5 GIBDRN COc1cc(C(=O)N(C)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000046395052 822468947 /nfs/dbraw/zinc/46/89/47/822468947.db2.gz RXOKKOPVSZPBQQ-UHFFFAOYSA-N 0 0 376.796 4.284 20 5 GIBDRN COc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000454404995 822470238 /nfs/dbraw/zinc/47/02/38/822470238.db2.gz LFMCWOKZZOOEKW-CRAIPNDOSA-N 0 0 383.448 4.254 20 5 GIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC000183419813 822471788 /nfs/dbraw/zinc/47/17/88/822471788.db2.gz WKVJGXLLENCRDP-ORAYPTAESA-N 0 0 396.422 4.386 20 5 GIBDRN Cc1cccc(Cl)c1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179413447 822479298 /nfs/dbraw/zinc/47/92/98/822479298.db2.gz KFRLCPLMHSOUNL-UHFFFAOYSA-N 0 0 375.856 4.406 20 5 GIBDRN COc1cc(CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C2CC2)ccc1O ZINC000179424040 822480359 /nfs/dbraw/zinc/48/03/59/822480359.db2.gz XLDDVLVSNJSHRP-UHFFFAOYSA-N 0 0 398.440 4.329 20 5 GIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cccnc2)c1 ZINC000046536696 822483663 /nfs/dbraw/zinc/48/36/63/822483663.db2.gz SVGOOWYEJVTTBK-UHFFFAOYSA-N 0 0 395.440 4.300 20 5 GIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cccnc2)c1 ZINC000046536723 822483701 /nfs/dbraw/zinc/48/37/01/822483701.db2.gz ZNDUWWLUMUNJKY-DHZHZOJOSA-N 0 0 375.384 4.221 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)cc1OC ZINC000179442859 822483752 /nfs/dbraw/zinc/48/37/52/822483752.db2.gz GHJBICRSCJBKIV-RNODOKPDSA-N 0 0 384.432 4.056 20 5 GIBDRN Cc1csc([C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000183561238 822494856 /nfs/dbraw/zinc/49/48/56/822494856.db2.gz ULKKCXJUVWHQCM-ZUZCIYMTSA-N 0 0 394.884 4.081 20 5 GIBDRN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000046659933 822500059 /nfs/dbraw/zinc/50/00/59/822500059.db2.gz RDDXGNGDUMJNQG-UHFFFAOYSA-N 0 0 383.791 4.366 20 5 GIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000454577989 822500042 /nfs/dbraw/zinc/50/00/42/822500042.db2.gz BCKAUXFJQJOFPN-LRQRDZAKSA-N 0 0 397.475 4.431 20 5 GIBDRN O=C(Nc1ccccc1OC1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000046667071 822501004 /nfs/dbraw/zinc/50/10/04/822501004.db2.gz UBGGRCXXORFCJL-UHFFFAOYSA-N 0 0 392.415 4.354 20 5 GIBDRN O=C(NCc1ccccc1COCc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183629728 822503385 /nfs/dbraw/zinc/50/33/85/822503385.db2.gz QCJXBQMNYKQMAN-UHFFFAOYSA-N 0 0 392.415 4.028 20 5 GIBDRN COc1ccc(N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1F ZINC000183628289 822503449 /nfs/dbraw/zinc/50/34/49/822503449.db2.gz RIQJESXHPIRECL-LBPRGKRZSA-N 0 0 378.375 4.427 20 5 GIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000454612554 822506216 /nfs/dbraw/zinc/50/62/16/822506216.db2.gz MXOZWBZOJNMCFT-JLJPHGGASA-N 0 0 389.477 4.245 20 5 GIBDRN CSCc1cc(F)ccc1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454640007 822510839 /nfs/dbraw/zinc/51/08/39/822510839.db2.gz HKQHHNDVEKRZQG-LBPRGKRZSA-N 0 0 377.441 4.157 20 5 GIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000179607535 822511889 /nfs/dbraw/zinc/51/18/89/822511889.db2.gz KLTSBPXAVUOWOR-FQEVSTJZSA-N 0 0 394.406 4.060 20 5 GIBDRN O=C(c1ccc(N2CCCCCC2)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179618589 822514026 /nfs/dbraw/zinc/51/40/26/822514026.db2.gz JZWZTORFMXJRDS-UHFFFAOYSA-N 0 0 394.475 4.175 20 5 GIBDRN O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000046758880 822514099 /nfs/dbraw/zinc/51/40/99/822514099.db2.gz XQARKSIPAUWQRV-UHFFFAOYSA-N 0 0 376.412 4.242 20 5 GIBDRN Cc1ncc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 ZINC000046772015 822515696 /nfs/dbraw/zinc/51/56/96/822515696.db2.gz MYWUBCBWRVMOFG-UHFFFAOYSA-N 0 0 383.429 4.424 20 5 GIBDRN O=C(OCc1nc(C2CC2)cs1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000179633491 822516770 /nfs/dbraw/zinc/51/67/70/822516770.db2.gz VSPQHZDCWHZQBA-UHFFFAOYSA-N 0 0 383.223 4.048 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000179656503 822521497 /nfs/dbraw/zinc/52/14/97/822521497.db2.gz KJPIPEDOBRZCFT-KXBFYZLASA-N 0 0 383.448 4.080 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2n1CC ZINC000179693404 822528638 /nfs/dbraw/zinc/52/86/38/822528638.db2.gz NXVVYTGFBFVRDN-UHFFFAOYSA-N 0 0 398.488 4.049 20 5 GIBDRN Cc1cc(I)ccc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000183804046 822530167 /nfs/dbraw/zinc/53/01/67/822530167.db2.gz GMEKUSIJHMTBIZ-UHFFFAOYSA-N 0 0 396.184 4.069 20 5 GIBDRN CC[C@H](c1ccncc1)N(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000179705515 822531834 /nfs/dbraw/zinc/53/18/34/822531834.db2.gz JGQYDARGTDRFCQ-CQSZACIVSA-N 0 0 381.379 4.183 20 5 GIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454788995 822534373 /nfs/dbraw/zinc/53/43/73/822534373.db2.gz ZHQRAVHYOZYOBX-QGZVFWFLSA-N 0 0 389.839 4.321 20 5 GIBDRN O=C(N[C@@H]1CCCOc2c(F)cccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183839072 822534406 /nfs/dbraw/zinc/53/44/06/822534406.db2.gz FLIIWVYZOZNUQG-GOSISDBHSA-N 0 0 399.422 4.322 20 5 GIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](CCCO)C1 ZINC000454800261 822536455 /nfs/dbraw/zinc/53/64/55/822536455.db2.gz AZXMCNJERVCKOX-HNNXBMFYSA-N 0 0 385.420 4.013 20 5 GIBDRN CCOc1ccccc1[C@H](CC)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179734741 822538264 /nfs/dbraw/zinc/53/82/64/822538264.db2.gz BKJMWZWIUHVHKJ-KRWDZBQOSA-N 0 0 382.420 4.284 20 5 GIBDRN C[C@H](NC(=O)NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000454811929 822538903 /nfs/dbraw/zinc/53/89/03/822538903.db2.gz GYYKSIFWKHQKEW-BLLLJJGKSA-N 0 0 381.354 4.301 20 5 GIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccc(C)cc32)cc1OC ZINC000179753634 822543369 /nfs/dbraw/zinc/54/33/69/822543369.db2.gz MSCIPAACOCBTBG-QGZVFWFLSA-N 0 0 384.432 4.118 20 5 GIBDRN Cc1csc(C2(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CCCC2)n1 ZINC000183964425 822554855 /nfs/dbraw/zinc/55/48/55/822554855.db2.gz MXVDDPNEVLPPHO-GFCCVEGCSA-N 0 0 377.441 4.188 20 5 GIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc([N+](=O)[O-])c1 ZINC000047265293 822559962 /nfs/dbraw/zinc/55/99/62/822559962.db2.gz DDVQXCCEEVQTPW-UHFFFAOYSA-N 0 0 388.276 4.424 20 5 GIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC000047264712 822559969 /nfs/dbraw/zinc/55/99/69/822559969.db2.gz HSZVVHNOYLGWMS-UHFFFAOYSA-N 0 0 387.383 4.136 20 5 GIBDRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000047277643 822561423 /nfs/dbraw/zinc/56/14/23/822561423.db2.gz XWLAQYKQSMTCQQ-UHFFFAOYSA-N 0 0 392.459 4.470 20 5 GIBDRN CC(C)[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(C2CC2)no1 ZINC000179830823 822561815 /nfs/dbraw/zinc/56/18/15/822561815.db2.gz CWIZFTIGHIGUHQ-SFHVURJKSA-N 0 0 397.435 4.040 20 5 GIBDRN COc1cc(CNc2ccccc2OC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000184007475 822562876 /nfs/dbraw/zinc/56/28/76/822562876.db2.gz HPORMYKLLZGYMC-HNNXBMFYSA-N 0 0 390.411 4.303 20 5 GIBDRN Cc1cccnc1C(C)(C)CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454962861 822563926 /nfs/dbraw/zinc/56/39/26/822563926.db2.gz FZSSBPNPMKPTNB-SFHVURJKSA-N 0 0 396.491 4.165 20 5 GIBDRN COc1cc(CNc2ccc(Br)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184017220 822564641 /nfs/dbraw/zinc/56/46/41/822564641.db2.gz XAGAKXNZDIUHFJ-UHFFFAOYSA-N 0 0 385.189 4.126 20 5 GIBDRN Cc1cccc(C(=O)NCCOCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000179842619 822564682 /nfs/dbraw/zinc/56/46/82/822564682.db2.gz VNCPGYQTDANFFI-UHFFFAOYSA-N 0 0 383.231 4.157 20 5 GIBDRN Cc1c(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000047355458 822570337 /nfs/dbraw/zinc/57/03/37/822570337.db2.gz NDRHUMCADQPPRT-HXUWFJFHSA-N 0 0 382.441 4.249 20 5 GIBDRN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047368477 822571378 /nfs/dbraw/zinc/57/13/78/822571378.db2.gz FZUMASGIYIMSCB-UHFFFAOYSA-N 0 0 399.378 4.360 20 5 GIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000047412749 822577010 /nfs/dbraw/zinc/57/70/10/822577010.db2.gz WJXLGXQGBSZQTH-INIZCTEOSA-N 0 0 396.447 4.094 20 5 GIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000047412742 822577012 /nfs/dbraw/zinc/57/70/12/822577012.db2.gz RRXQKYYCOACRAA-MRXNPFEDSA-N 0 0 396.447 4.094 20 5 GIBDRN CC[C@@H](NC(=O)NCc1ccc(OC(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000455050316 822580559 /nfs/dbraw/zinc/58/05/59/822580559.db2.gz HMLOWRDXSPXUDR-OAHLLOKOSA-N 0 0 397.353 4.286 20 5 GIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047488904 822583570 /nfs/dbraw/zinc/58/35/70/822583570.db2.gz INPMBUPVDKPNCZ-HNNXBMFYSA-N 0 0 396.447 4.022 20 5 GIBDRN Cc1c(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cccc1N(C)C ZINC000455067115 822583790 /nfs/dbraw/zinc/58/37/90/822583790.db2.gz DUJBCRDBZCCRHN-QGZVFWFLSA-N 0 0 382.464 4.381 20 5 GIBDRN Cc1nc(-c2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2)cs1 ZINC000179967491 822587334 /nfs/dbraw/zinc/58/73/34/822587334.db2.gz RVUOQCLGFDUSSL-UHFFFAOYSA-N 0 0 383.385 4.008 20 5 GIBDRN C[C@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455089855 822587644 /nfs/dbraw/zinc/58/76/44/822587644.db2.gz DZUQLNABYVFASJ-HOTGVXAUSA-N 0 0 385.489 4.480 20 5 GIBDRN COc1ccc(C(=O)Nc2cc(F)c(Br)cc2C)cc1[N+](=O)[O-] ZINC000184158412 822587764 /nfs/dbraw/zinc/58/77/64/822587764.db2.gz YLSRZBGRGXVYDY-UHFFFAOYSA-N 0 0 383.173 4.066 20 5 GIBDRN C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094661 822588162 /nfs/dbraw/zinc/58/81/62/822588162.db2.gz PCEZNRUJRQVIMN-UGSOOPFHSA-N 0 0 389.839 4.092 20 5 GIBDRN C[C@H](NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000455099041 822588661 /nfs/dbraw/zinc/58/86/61/822588661.db2.gz VUHLBGWYGDJNAP-LBPRGKRZSA-N 0 0 397.353 4.396 20 5 GIBDRN COc1ccc(NC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000455101386 822589092 /nfs/dbraw/zinc/58/90/92/822589092.db2.gz MDVQHBROYNVYRA-AXFHLTTASA-N 0 0 375.347 4.187 20 5 GIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])c(NC)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000455130696 822593956 /nfs/dbraw/zinc/59/39/56/822593956.db2.gz DEWXFTQDPKEANT-NSHDSACASA-N 0 0 396.369 4.274 20 5 GIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000455149534 822597352 /nfs/dbraw/zinc/59/73/52/822597352.db2.gz WQJFOAHNOPXKGH-UHFFFAOYSA-N 0 0 383.448 4.125 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000047697540 822600596 /nfs/dbraw/zinc/60/05/96/822600596.db2.gz FIFOUKRPIKUIPG-CYBMUJFWSA-N 0 0 397.435 4.070 20 5 GIBDRN CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000180028984 822600621 /nfs/dbraw/zinc/60/06/21/822600621.db2.gz VRKDWDHXQNAKAP-ZDUSSCGKSA-N 0 0 397.460 4.296 20 5 GIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000184258362 822604428 /nfs/dbraw/zinc/60/44/28/822604428.db2.gz BTLWOOBMQUJWDX-INIZCTEOSA-N 0 0 399.205 4.254 20 5 GIBDRN CCOc1ccccc1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866336 822615192 /nfs/dbraw/zinc/61/51/92/822615192.db2.gz RDRSCZMDOSOQRV-UHFFFAOYSA-N 0 0 395.362 4.259 20 5 GIBDRN CCOCc1ccccc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865579 822615218 /nfs/dbraw/zinc/61/52/18/822615218.db2.gz DIIIYBSNIKXBNX-UHFFFAOYSA-N 0 0 395.362 4.054 20 5 GIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000455252902 822618372 /nfs/dbraw/zinc/61/83/72/822618372.db2.gz DTZRCDZDKMOOHC-GJZGRUSLSA-N 0 0 387.402 4.290 20 5 GIBDRN CC(=O)Nc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180117408 822618741 /nfs/dbraw/zinc/61/87/41/822618741.db2.gz XSVZCJJTXTWKIO-JOCHJYFZSA-N 0 0 375.428 4.432 20 5 GIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nc2ccccc2s1 ZINC000180133106 822622802 /nfs/dbraw/zinc/62/28/02/822622802.db2.gz VLQYMYGQDISBLK-LBPRGKRZSA-N 0 0 376.459 4.189 20 5 GIBDRN C[C@@H](O)CCN(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184379016 822625008 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CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000569762363 822965119 /nfs/dbraw/zinc/96/51/19/822965119.db2.gz NLPPFJFPCFPHGJ-MHZLTWQESA-N 0 0 390.509 4.445 20 5 GIBDRN CCOc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1O ZINC000186851558 822967907 /nfs/dbraw/zinc/96/79/07/822967907.db2.gz SFMKJXYAGVAQPM-LLVKDONJSA-N 0 0 378.812 4.152 20 5 GIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1CCc1ccccc1 ZINC000055487751 822969572 /nfs/dbraw/zinc/96/95/72/822969572.db2.gz AHCPGOMHTKUGOT-SFHVURJKSA-N 0 0 390.443 4.018 20 5 GIBDRN Cc1nc(COC(C)(C)C)oc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000569815293 822971986 /nfs/dbraw/zinc/97/19/86/822971986.db2.gz QRBINWYFMHUHNW-UHFFFAOYSA-N 0 0 389.452 4.257 20 5 GIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(CSc3ccc(F)cc3)no2)c1 ZINC000569828421 822973394 /nfs/dbraw/zinc/97/33/94/822973394.db2.gz KNUBINKPMODGIQ-UHFFFAOYSA-N 0 0 375.381 4.475 20 5 GIBDRN CSc1cccc(C(=O)NCC2(c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000186902874 822977251 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4.108 20 5 GIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000569981281 822993030 /nfs/dbraw/zinc/99/30/30/822993030.db2.gz XZLXCDZANJNOAX-SECBINFHSA-N 0 0 398.644 4.205 20 5 GIBDRN CC(=O)Nc1sc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000187002344 822995247 /nfs/dbraw/zinc/99/52/47/822995247.db2.gz JRKGBTJVNHAACS-UHFFFAOYSA-N 0 0 396.428 4.237 20 5 GIBDRN Cc1nc([C@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000187010702 822997296 /nfs/dbraw/zinc/99/72/96/822997296.db2.gz RLJXYPPVYOUHOC-CYBMUJFWSA-N 0 0 397.909 4.469 20 5 GIBDRN O=C(N[C@@H]1CCc2c1cccc2Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055712112 823001680 /nfs/dbraw/zinc/00/16/80/823001680.db2.gz LSWVOOAHHYIYMG-GOSISDBHSA-N 0 0 399.878 4.268 20 5 GIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000055714241 823002191 /nfs/dbraw/zinc/00/21/91/823002191.db2.gz IZDCSBFPDSGSBJ-UHFFFAOYSA-N 0 0 395.440 4.147 20 5 GIBDRN CCSCC[C@@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000175591990 823003515 /nfs/dbraw/zinc/00/35/15/823003515.db2.gz LHRUGHBTNCVGOZ-MRXNPFEDSA-N 0 0 382.529 4.145 20 5 GIBDRN C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000570081033 823004113 /nfs/dbraw/zinc/00/41/13/823004113.db2.gz RVGFDSBNBPJSLI-VBKZILBWSA-N 0 0 392.521 4.158 20 5 GIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCCCN2c2ccccc21 ZINC000570080642 823004116 /nfs/dbraw/zinc/00/41/16/823004116.db2.gz KMTHMBZXNUZYGF-MRXNPFEDSA-N 0 0 385.851 4.196 20 5 GIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCc2cc(F)ccc21 ZINC000175599090 823004572 /nfs/dbraw/zinc/00/45/72/823004572.db2.gz NIWOALNNJPYXOI-UHFFFAOYSA-N 0 0 379.185 4.089 20 5 GIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000187066995 823005984 /nfs/dbraw/zinc/00/59/84/823005984.db2.gz GALSNCFMLYHAKG-AUUYWEPGSA-N 0 0 388.851 4.169 20 5 GIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175612787 823006624 /nfs/dbraw/zinc/00/66/24/823006624.db2.gz PNSDBSDIXCBVCG-CQSZACIVSA-N 0 0 376.796 4.058 20 5 GIBDRN Cc1cnc([C@H](C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000187078952 823007666 /nfs/dbraw/zinc/00/76/66/823007666.db2.gz ABSQLOFFFUIXQL-CYBMUJFWSA-N 0 0 376.482 4.083 20 5 GIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000175620980 823008249 /nfs/dbraw/zinc/00/82/49/823008249.db2.gz NOEQIPRLJDSPGV-ZIAGYGMSSA-N 0 0 387.436 4.042 20 5 GIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175638852 823010994 /nfs/dbraw/zinc/01/09/94/823010994.db2.gz CNRILJRRJYFBGC-UHFFFAOYSA-N 0 0 398.850 4.343 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccnc1-c1ccc(Cl)s1 ZINC000187113628 823012544 /nfs/dbraw/zinc/01/25/44/823012544.db2.gz NHCRBGHPPFECML-UHFFFAOYSA-N 0 0 389.820 4.389 20 5 GIBDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000570194476 823013963 /nfs/dbraw/zinc/01/39/63/823013963.db2.gz ZLJJUKYJZFCRDJ-UHFFFAOYSA-N 0 0 396.432 4.112 20 5 GIBDRN O=C1COc2c(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc(Cl)cc2N1 ZINC000570195009 823014237 /nfs/dbraw/zinc/01/42/37/823014237.db2.gz GSACMJADIREKIB-UHFFFAOYSA-N 0 0 399.790 4.451 20 5 GIBDRN COc1ccc(C[C@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)cc1 ZINC000570209910 823015559 /nfs/dbraw/zinc/01/55/59/823015559.db2.gz SCSNYUQSAAMLEP-MRXNPFEDSA-N 0 0 393.443 4.180 20 5 GIBDRN C[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(Br)c1 ZINC000570214389 823016043 /nfs/dbraw/zinc/01/60/43/823016043.db2.gz KSGQIWKJZMRKBI-LBPRGKRZSA-N 0 0 389.249 4.046 20 5 GIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000175676112 823018110 /nfs/dbraw/zinc/01/81/10/823018110.db2.gz AYECKHNIKBITAR-CQSZACIVSA-N 0 0 377.400 4.156 20 5 GIBDRN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000187156273 823018463 /nfs/dbraw/zinc/01/84/63/823018463.db2.gz AGDPEGPMXSQYEM-CYBMUJFWSA-N 0 0 382.445 4.413 20 5 GIBDRN CCOc1cccc([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175700160 823023226 /nfs/dbraw/zinc/02/32/26/823023226.db2.gz ICHFIDVMOJDOPH-NSHDSACASA-N 0 0 393.237 4.247 20 5 GIBDRN Cc1nn(CCC(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000175708932 823024810 /nfs/dbraw/zinc/02/48/10/823024810.db2.gz YVEBTJDNOXWTIZ-TZMCWYRMSA-N 0 0 392.887 4.102 20 5 GIBDRN O=c1[nH]c(N2CC=C(c3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000570351960 823028103 /nfs/dbraw/zinc/02/81/03/823028103.db2.gz MFZFRRXHYKVYHG-UHFFFAOYSA-N 0 0 382.807 4.191 20 5 GIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1C(F)(F)F ZINC000570360895 823029018 /nfs/dbraw/zinc/02/90/18/823029018.db2.gz BZBUWYYDFGIQAN-UHFFFAOYSA-N 0 0 392.337 4.459 20 5 GIBDRN Cc1cc(F)cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1[N+](=O)[O-] ZINC000175735057 823029138 /nfs/dbraw/zinc/02/91/38/823029138.db2.gz VWHFMIOLKFXVOL-UHFFFAOYSA-N 0 0 390.421 4.297 20 5 GIBDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000187267947 823033231 /nfs/dbraw/zinc/03/32/31/823033231.db2.gz NGMPNWHJFCMTMT-ZDUSSCGKSA-N 0 0 381.432 4.094 20 5 GIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cnccc1Oc1ccccc1 ZINC000570428105 823036698 /nfs/dbraw/zinc/03/66/98/823036698.db2.gz OMYQDGTXYYVILG-UHFFFAOYSA-N 0 0 385.326 4.242 20 5 GIBDRN C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000570426975 823036753 /nfs/dbraw/zinc/03/67/53/823036753.db2.gz FJPRZUACQGDZET-LLVKDONJSA-N 0 0 388.225 4.111 20 5 GIBDRN C[C@@H](Nc1ccc(-c2nc(-c3ccn(C)c3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000570435819 823038129 /nfs/dbraw/zinc/03/81/29/823038129.db2.gz RBWQRRGFWSXARG-CYBMUJFWSA-N 0 0 390.403 4.218 20 5 GIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1SC ZINC000175787501 823040373 /nfs/dbraw/zinc/04/03/73/823040373.db2.gz FURAICPEWWGCFZ-UKRRQHHQSA-N 0 0 386.473 4.344 20 5 GIBDRN CC(C)COc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055766532 823040465 /nfs/dbraw/zinc/04/04/65/823040465.db2.gz XBORDALPXANZIF-UHFFFAOYSA-N 0 0 383.448 4.482 20 5 GIBDRN CCc1nnc(-c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)o1 ZINC000175790308 823040780 /nfs/dbraw/zinc/04/07/80/823040780.db2.gz SZEDLVZCUZYNNC-UHFFFAOYSA-N 0 0 393.403 4.034 20 5 GIBDRN COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000055778619 823043029 /nfs/dbraw/zinc/04/30/29/823043029.db2.gz ZWUAHFARSZSREC-KRWDZBQOSA-N 0 0 388.807 4.012 20 5 GIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000055785252 823044075 /nfs/dbraw/zinc/04/40/75/823044075.db2.gz VDPMBXMKRVFJEM-MRXNPFEDSA-N 0 0 375.222 4.335 20 5 GIBDRN COc1cccc(C2(c3noc(-c4cccc(SC)c4[N+](=O)[O-])n3)CC2)c1 ZINC000570484510 823044605 /nfs/dbraw/zinc/04/46/05/823044605.db2.gz CNUUDAVLCZRDHU-UHFFFAOYSA-N 0 0 383.429 4.455 20 5 GIBDRN O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000055787713 823044670 /nfs/dbraw/zinc/04/46/70/823044670.db2.gz ZUGOLTFSVLEINY-UHFFFAOYSA-N 0 0 397.412 4.014 20 5 GIBDRN CCN(c1ccnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1)C1CCCC1 ZINC000411103928 823546655 /nfs/dbraw/zinc/54/66/55/823546655.db2.gz JLYLIKKQSZKFIA-UHFFFAOYSA-N 0 0 395.419 4.152 20 5 GIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)sc1C ZINC000411105500 823547060 /nfs/dbraw/zinc/54/70/60/823547060.db2.gz XEFGKKULXZWJNV-UHFFFAOYSA-N 0 0 380.447 4.116 20 5 GIBDRN COc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000190198069 823549805 /nfs/dbraw/zinc/54/98/05/823549805.db2.gz KKEAZRWKDCXEAS-UHFFFAOYSA-N 0 0 395.293 4.251 20 5 GIBDRN CC[C@H](NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000411127857 823550425 /nfs/dbraw/zinc/55/04/25/823550425.db2.gz COYHJOMNNKOFRZ-HNNXBMFYSA-N 0 0 389.839 4.071 20 5 GIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCCSCc1cccc2ccccc21 ZINC000460960734 823551111 /nfs/dbraw/zinc/55/11/11/823551111.db2.gz SUCKRTMMKLSQSG-UHFFFAOYSA-N 0 0 380.469 4.340 20 5 GIBDRN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nnc2n1CCCCC2 ZINC000060721472 823553900 /nfs/dbraw/zinc/55/39/00/823553900.db2.gz CVUYGRBAXROZCX-UHFFFAOYSA-N 0 0 391.431 4.140 20 5 GIBDRN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nnc2n1CCCCC2 ZINC000060721464 823553902 /nfs/dbraw/zinc/55/39/02/823553902.db2.gz MRQNBVOAGZJDTB-UHFFFAOYSA-N 0 0 391.431 4.140 20 5 GIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000060737990 823554643 /nfs/dbraw/zinc/55/46/43/823554643.db2.gz HSDPDIOAEFOABQ-CQSZACIVSA-N 0 0 396.472 4.368 20 5 GIBDRN COc1ccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c([N+](=O)[O-])c1 ZINC000060775230 823556549 /nfs/dbraw/zinc/55/65/49/823556549.db2.gz ROEBPOVDGJRPJF-UHFFFAOYSA-N 0 0 397.435 4.305 20 5 GIBDRN CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411205116 823557225 /nfs/dbraw/zinc/55/72/25/823557225.db2.gz ZNBDZCMIFDSLSA-GOSISDBHSA-N 0 0 383.448 4.150 20 5 GIBDRN CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411205117 823557306 /nfs/dbraw/zinc/55/73/06/823557306.db2.gz ZNBDZCMIFDSLSA-SFHVURJKSA-N 0 0 383.448 4.150 20 5 GIBDRN Cc1nc(C)c(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000461007798 823558248 /nfs/dbraw/zinc/55/82/48/823558248.db2.gz OSKDKNBPJMQIOY-UHFFFAOYSA-N 0 0 396.472 4.210 20 5 GIBDRN CCOc1cc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000190275255 823558508 /nfs/dbraw/zinc/55/85/08/823558508.db2.gz KTKVWNYMLWZJNM-LBPRGKRZSA-N 0 0 375.391 4.068 20 5 GIBDRN CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Cl)s1 ZINC000411234378 823559380 /nfs/dbraw/zinc/55/93/80/823559380.db2.gz FHHHVEAJZBUFIK-LLVKDONJSA-N 0 0 395.868 4.133 20 5 GIBDRN CC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000461016486 823559434 /nfs/dbraw/zinc/55/94/34/823559434.db2.gz ADILYDMMEMLVCV-HXUWFJFHSA-N 0 0 386.423 4.298 20 5 GIBDRN Cc1c(Cn2nc(-c3cccs3)c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000060815883 823559524 /nfs/dbraw/zinc/55/95/24/823559524.db2.gz ZRGJWVKEDNZXFI-UHFFFAOYSA-N 0 0 377.425 4.390 20 5 GIBDRN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@H]1C ZINC000461020470 823560305 /nfs/dbraw/zinc/56/03/05/823560305.db2.gz 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COc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)cs2)cc1 ZINC000124943042 823639054 /nfs/dbraw/zinc/63/90/54/823639054.db2.gz WPXUCEZIHMMVNT-UHFFFAOYSA-N 0 0 391.355 4.257 20 5 GIBDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412247516 823639531 /nfs/dbraw/zinc/63/95/31/823639531.db2.gz QEITXKNRLDCXNJ-CCARFGRDSA-N 0 0 380.444 4.317 20 5 GIBDRN COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1C(C)C ZINC000412246993 823639538 /nfs/dbraw/zinc/63/95/38/823639538.db2.gz JJWXVBXIAWQONK-DLBZAZTESA-N 0 0 384.432 4.478 20 5 GIBDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412247519 823639596 /nfs/dbraw/zinc/63/95/96/823639596.db2.gz QEITXKNRLDCXNJ-RZTDZLQYSA-N 0 0 380.444 4.317 20 5 GIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000124979220 823642333 /nfs/dbraw/zinc/64/23/33/823642333.db2.gz VXQKMLIFLMICCJ-CYBMUJFWSA-N 0 0 375.406 4.023 20 5 GIBDRN CC(=O)N(Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)C1CC1 ZINC000124981126 823642513 /nfs/dbraw/zinc/64/25/13/823642513.db2.gz ZZTAVJYLIFMFQI-UHFFFAOYSA-N 0 0 387.823 4.011 20 5 GIBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000412284324 823642839 /nfs/dbraw/zinc/64/28/39/823642839.db2.gz FKAVFDPEDVBONW-KPXOXKRLSA-N 0 0 385.367 4.051 20 5 GIBDRN C[C@@H](SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000062698391 823644803 /nfs/dbraw/zinc/64/48/03/823644803.db2.gz FIDFTKWULWDVQI-SNVBAGLBSA-N 0 0 394.836 4.410 20 5 GIBDRN O=C(NCc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000062887025 823646991 /nfs/dbraw/zinc/64/69/91/823646991.db2.gz PPOADHFDNKLHIT-UHFFFAOYSA-N 0 0 393.355 4.225 20 5 GIBDRN CC(C)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000461493231 823648051 /nfs/dbraw/zinc/64/80/51/823648051.db2.gz HEYZOYGWSANQCZ-UHFFFAOYSA-N 0 0 385.493 4.098 20 5 GIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000125069299 823649784 /nfs/dbraw/zinc/64/97/84/823649784.db2.gz HAEVCHRVUNFFFN-UHFFFAOYSA-N 0 0 397.818 4.255 20 5 GIBDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)n1 ZINC000125084724 823650665 /nfs/dbraw/zinc/65/06/65/823650665.db2.gz ZUROQOGHQWEUGG-UHFFFAOYSA-N 0 0 392.415 4.457 20 5 GIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000125108487 823652182 /nfs/dbraw/zinc/65/21/82/823652182.db2.gz DTTJHIWSTRSITA-UHFFFAOYSA-N 0 0 394.349 4.372 20 5 GIBDRN Cc1coc(-c2cc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)ccc2C)n1 ZINC000125131217 823653836 /nfs/dbraw/zinc/65/38/36/823653836.db2.gz SUCLUBURTFZPLO-UHFFFAOYSA-N 0 0 392.415 4.457 20 5 GIBDRN Cc1noc(CCCSc2nc3ccccc3c3nc4ccccc4n32)n1 ZINC000461543372 823656127 /nfs/dbraw/zinc/65/61/27/823656127.db2.gz BBHSCONMGRBSKE-UHFFFAOYSA-N 0 0 375.457 4.452 20 5 GIBDRN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063254898 823657243 /nfs/dbraw/zinc/65/72/43/823657243.db2.gz VXORARPGUAGVAL-MRXNPFEDSA-N 0 0 381.201 4.074 20 5 GIBDRN CNC(=O)c1ccc(NCCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000063282438 823659520 /nfs/dbraw/zinc/65/95/20/823659520.db2.gz CQBQHGKAHOJOOS-UHFFFAOYSA-N 0 0 398.246 4.142 20 5 GIBDRN CCOc1cccc([C@@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000063282195 823659547 /nfs/dbraw/zinc/65/95/47/823659547.db2.gz XLMSMTLCZQOSKV-CQSZACIVSA-N 0 0 394.431 4.131 20 5 GIBDRN Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cccc1[N+](=O)[O-] ZINC000125389821 823672646 /nfs/dbraw/zinc/67/26/46/823672646.db2.gz DQFNNIBZNFOLAS-NRFANRHFSA-N 0 0 386.411 4.299 20 5 GIBDRN C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@H](C)O1 ZINC000412666914 823673157 /nfs/dbraw/zinc/67/31/57/823673157.db2.gz ZBVUZTOHCUTDIQ-YCPHGPKFSA-N 0 0 392.521 4.420 20 5 GIBDRN O=C(CCC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000412666432 823673163 /nfs/dbraw/zinc/67/31/63/823673163.db2.gz GFTBKLIYHKIILN-HXUWFJFHSA-N 0 0 392.455 4.354 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000191358970 823676132 /nfs/dbraw/zinc/67/61/32/823676132.db2.gz MGPXKYGPFQKXAL-HNNXBMFYSA-N 0 0 379.420 4.280 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000191361894 823676380 /nfs/dbraw/zinc/67/63/80/823676380.db2.gz GCAGYZCEPKZFKK-AWEZNQCLSA-N 0 0 395.419 4.187 20 5 GIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000191364786 823676991 /nfs/dbraw/zinc/67/69/91/823676991.db2.gz JTHJBCINUBUAFK-UHFFFAOYSA-N 0 0 379.363 4.477 20 5 GIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000063581630 823680829 /nfs/dbraw/zinc/68/08/29/823680829.db2.gz BFMVRAIJHZZFOU-VCBZYWHSSA-N 0 0 394.431 4.168 20 5 GIBDRN CCN(CC)C(=O)c1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000191404496 823681500 /nfs/dbraw/zinc/68/15/00/823681500.db2.gz ZVVKYRFTYBSQMS-UHFFFAOYSA-N 0 0 398.463 4.015 20 5 GIBDRN O=C(O[C@H](c1ncccn1)C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000125510568 823681720 /nfs/dbraw/zinc/68/17/20/823681720.db2.gz YBGZJUBAEXIRCL-IBGZPJMESA-N 0 0 396.447 4.073 20 5 GIBDRN CN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000125522127 823682560 /nfs/dbraw/zinc/68/25/60/823682560.db2.gz IZDPGBOFOMYHPP-UHFFFAOYSA-N 0 0 385.489 4.339 20 5 GIBDRN Cc1ccc(C(=O)CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461696505 823683054 /nfs/dbraw/zinc/68/30/54/823683054.db2.gz HOYDRBUONOURSP-HXUWFJFHSA-N 0 0 384.457 4.140 20 5 GIBDRN CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000063624525 823684518 /nfs/dbraw/zinc/68/45/18/823684518.db2.gz JXJAHTGHMZYIPJ-UHFFFAOYSA-N 0 0 378.881 4.434 20 5 GIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000461763514 823692977 /nfs/dbraw/zinc/69/29/77/823692977.db2.gz FDIGZOXXLJRJKF-NHCUHLMSSA-N 0 0 397.475 4.435 20 5 GIBDRN Cc1cc(NCCCc2nnc3ccccn32)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461782957 823694815 /nfs/dbraw/zinc/69/48/15/823694815.db2.gz FXMFOLHYIQUGJM-UHFFFAOYSA-N 0 0 379.342 4.009 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)n1 ZINC000191534876 823696863 /nfs/dbraw/zinc/69/68/63/823696863.db2.gz PSQUKCLHKXKPBW-UHFFFAOYSA-N 0 0 385.449 4.310 20 5 GIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCCCO[C@@H]1CCCCO1 ZINC000412989370 823698401 /nfs/dbraw/zinc/69/84/01/823698401.db2.gz NLPGKQVCXYALNP-LJQANCHMSA-N 0 0 384.501 4.112 20 5 GIBDRN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1C ZINC000063816893 823699321 /nfs/dbraw/zinc/69/93/21/823699321.db2.gz OZPLEDUSTWBQGH-IBGZPJMESA-N 0 0 390.443 4.375 20 5 GIBDRN CC1(C)CC[C@H](Oc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1=O ZINC000413003042 823699533 /nfs/dbraw/zinc/69/95/33/823699533.db2.gz SQZULSPBKWBPRS-ZDUSSCGKSA-N 0 0 379.210 4.042 20 5 GIBDRN C[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1 ZINC000461811761 823699827 /nfs/dbraw/zinc/69/98/27/823699827.db2.gz ISNFPKYKTRMAQA-APWZRJJASA-N 0 0 399.495 4.049 20 5 GIBDRN COc1ccc(C(=O)C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000413040473 823701149 /nfs/dbraw/zinc/70/11/49/823701149.db2.gz JULAHOAGVWGEDW-UHFFFAOYSA-N 0 0 391.427 4.251 20 5 GIBDRN CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461821265 823702608 /nfs/dbraw/zinc/70/26/08/823702608.db2.gz AXVVOZXNELBXID-IBGZPJMESA-N 0 0 399.495 4.047 20 5 GIBDRN O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(C(F)(F)F)c1 ZINC000413065466 823702701 /nfs/dbraw/zinc/70/27/01/823702701.db2.gz DKRTUSSMTFBASL-UHFFFAOYSA-N 0 0 391.353 4.269 20 5 GIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000125751310 823704139 /nfs/dbraw/zinc/70/41/39/823704139.db2.gz OALFMWNYGVEPCD-INIZCTEOSA-N 0 0 393.468 4.423 20 5 GIBDRN Cn1ccnc1[C@H](NCCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000574345494 823705675 /nfs/dbraw/zinc/70/56/75/823705675.db2.gz FJRYSVIAEMXWPN-OAQYLSRUSA-N 0 0 389.459 4.121 20 5 GIBDRN C[C@H]1CCCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461839011 823709750 /nfs/dbraw/zinc/70/97/50/823709750.db2.gz NZQXDOWUBINHGL-LPHOPBHVSA-N 0 0 399.495 4.191 20 5 GIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000125794428 823711967 /nfs/dbraw/zinc/71/19/67/823711967.db2.gz DZCSJHSYZVIWMX-ZDUSSCGKSA-N 0 0 381.388 4.140 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000191620803 823715966 /nfs/dbraw/zinc/71/59/66/823715966.db2.gz IFBNYYYKRHMRDQ-HNNXBMFYSA-N 0 0 376.844 4.222 20 5 GIBDRN C[C@@H](NC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000413149850 823716240 /nfs/dbraw/zinc/71/62/40/823716240.db2.gz VLQQVHFNVMJQEX-OXQOHEQNSA-N 0 0 395.459 4.219 20 5 GIBDRN CC1(C)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc2O1 ZINC000413157829 823718087 /nfs/dbraw/zinc/71/80/87/823718087.db2.gz IHGLRPQRFCCRNQ-ZDUSSCGKSA-N 0 0 392.358 4.480 20 5 GIBDRN COC(=O)c1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc([N+](=O)[O-])c1 ZINC000063962755 823722715 /nfs/dbraw/zinc/72/27/15/823722715.db2.gz CYSYVFQIBPRBCV-UHFFFAOYSA-N 0 0 397.412 4.121 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CCCc3cc(F)c(F)cc32)ccc1[N+](=O)[O-] ZINC000413184257 823723493 /nfs/dbraw/zinc/72/34/93/823723493.db2.gz XEFNWTOQDVFYTQ-UHFFFAOYSA-N 0 0 376.359 4.253 20 5 GIBDRN Cc1ccc(CNc2nccc3ccc([N+](=O)[O-])cc32)c(OC[C@H]2CCOC2)c1 ZINC000413185718 823723717 /nfs/dbraw/zinc/72/37/17/823723717.db2.gz NRPULMGJVNZTIC-INIZCTEOSA-N 0 0 393.443 4.479 20 5 GIBDRN CCC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000063981544 823728286 /nfs/dbraw/zinc/72/82/86/823728286.db2.gz VJQIFSLDLMHDMR-OAHLLOKOSA-N 0 0 385.251 4.146 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)n1 ZINC000191671060 823728857 /nfs/dbraw/zinc/72/88/57/823728857.db2.gz OJDDFBMWBCPQKO-UHFFFAOYSA-N 0 0 376.416 4.071 20 5 GIBDRN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413216320 823729928 /nfs/dbraw/zinc/72/99/28/823729928.db2.gz RCXJKLOZKWHQTN-BZNIZROVSA-N 0 0 382.798 4.026 20 5 GIBDRN CCc1nn(C)c(N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000461869775 823730215 /nfs/dbraw/zinc/73/02/15/823730215.db2.gz VDBLPQNZOJLFQL-AULYBMBSSA-N 0 0 379.258 4.011 20 5 GIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000163641232 823730952 /nfs/dbraw/zinc/73/09/52/823730952.db2.gz ZMTWQGSCHRSDPA-UHFFFAOYSA-N 0 0 387.439 4.391 20 5 GIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCN(c2ccccc2F)C1 ZINC000461875451 823733362 /nfs/dbraw/zinc/73/33/62/823733362.db2.gz HRUMQNLCWDFBTF-LLVKDONJSA-N 0 0 384.333 4.086 20 5 GIBDRN COc1ccc([C@H](C)NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(C)c1OC ZINC000574478914 823741621 /nfs/dbraw/zinc/74/16/21/823741621.db2.gz BZOPYUUCWPZOBE-LBPRGKRZSA-N 0 0 390.461 4.133 20 5 GIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Br ZINC000191710287 823743645 /nfs/dbraw/zinc/74/36/45/823743645.db2.gz MFBIYNFMKQPSMB-UHFFFAOYSA-N 0 0 384.617 4.332 20 5 GIBDRN Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c12 ZINC000163748149 823744789 /nfs/dbraw/zinc/74/47/89/823744789.db2.gz RZUHNOUDHQYQKO-UHFFFAOYSA-N 0 0 392.415 4.122 20 5 GIBDRN COc1ccc2c(CC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)coc2c1 ZINC000163796914 823749824 /nfs/dbraw/zinc/74/98/24/823749824.db2.gz PBMQUTMTQKAGCD-UHFFFAOYSA-N 0 0 380.400 4.083 20 5 GIBDRN Cc1cscc1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000574556313 823764949 /nfs/dbraw/zinc/76/49/49/823764949.db2.gz PENHTQBZNNTCFQ-INIZCTEOSA-N 0 0 398.444 4.300 20 5 GIBDRN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000413390965 823765953 /nfs/dbraw/zinc/76/59/53/823765953.db2.gz ABPIJMBZSPNOHD-MRXNPFEDSA-N 0 0 395.381 4.328 20 5 GIBDRN Cc1cc(N2CC[C@H](n3cnc4c3CCCC4)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940568 823766745 /nfs/dbraw/zinc/76/67/45/823766745.db2.gz KVHXFGSJAFXSPW-ZDUSSCGKSA-N 0 0 394.397 4.449 20 5 GIBDRN Cc1cc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948694 823768679 /nfs/dbraw/zinc/76/86/79/823768679.db2.gz NWTSMPCLKZOCEM-ZANVPECISA-N 0 0 386.292 4.062 20 5 GIBDRN CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000413403287 823769358 /nfs/dbraw/zinc/76/93/58/823769358.db2.gz GVTWMOGBNGSNJA-GQWLDOHISA-N 0 0 382.460 4.187 20 5 GIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)n1 ZINC000191794522 823770616 /nfs/dbraw/zinc/77/06/16/823770616.db2.gz KIBNVTZNXIZADB-AWEZNQCLSA-N 0 0 379.420 4.237 20 5 GIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000164090384 823776886 /nfs/dbraw/zinc/77/68/86/823776886.db2.gz JLLHWRZGVZEEAU-MRXNPFEDSA-N 0 0 397.475 4.399 20 5 GIBDRN Cc1cc(NCc2cc(Cl)ccc2N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000461970570 823777270 /nfs/dbraw/zinc/77/72/70/823777270.db2.gz VVBZPAVCDJDVCJ-UHFFFAOYSA-N 0 0 379.819 4.144 20 5 GIBDRN CC[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000413444182 823779211 /nfs/dbraw/zinc/77/92/11/823779211.db2.gz WFWYPCLVMRSPLM-SNVBAGLBSA-N 0 0 381.782 4.069 20 5 GIBDRN O=C(CSc1nccc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126069705 823779488 /nfs/dbraw/zinc/77/94/88/823779488.db2.gz KJYIREHLBJWQQP-UHFFFAOYSA-N 0 0 393.468 4.426 20 5 GIBDRN COc1cccc(C2(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)c1 ZINC000461992645 823787077 /nfs/dbraw/zinc/78/70/77/823787077.db2.gz UOUYEHZWNMGOQO-UHFFFAOYSA-N 0 0 395.459 4.009 20 5 GIBDRN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000126101698 823788011 /nfs/dbraw/zinc/78/80/11/823788011.db2.gz DKOSRAZTFCDSEU-UHFFFAOYSA-N 0 0 381.201 4.092 20 5 GIBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(Cc2ccoc2)C2CCCCC2)c1F ZINC000413505445 823788795 /nfs/dbraw/zinc/78/87/95/823788795.db2.gz OYSZPTMNMPEWLU-UHFFFAOYSA-N 0 0 390.411 4.240 20 5 GIBDRN CCCOc1cc(NC(=O)N(C)CC(F)(F)F)c([N+](=O)[O-])cc1OCCC ZINC000191846565 823794827 /nfs/dbraw/zinc/79/48/27/823794827.db2.gz IDKATUUOYOWPLU-UHFFFAOYSA-N 0 0 393.362 4.198 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Cl)cc1 ZINC000064419045 823814469 /nfs/dbraw/zinc/81/44/69/823814469.db2.gz STOIRNQXZXIJCS-NSHDSACASA-N 0 0 383.231 4.028 20 5 GIBDRN CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000064421008 823815511 /nfs/dbraw/zinc/81/55/11/823815511.db2.gz BHSURQDMZHPSGN-LBPRGKRZSA-N 0 0 378.812 4.441 20 5 GIBDRN O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413679402 823815523 /nfs/dbraw/zinc/81/55/23/823815523.db2.gz ZCFGNFJQRKBHSH-UONOGXRCSA-N 0 0 380.322 4.120 20 5 GIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2ccccc2)CC1 ZINC000064421546 823815751 /nfs/dbraw/zinc/81/57/51/823815751.db2.gz RSDFMZFITBUVQS-CQSZACIVSA-N 0 0 388.851 4.422 20 5 GIBDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126225157 823816079 /nfs/dbraw/zinc/81/60/79/823816079.db2.gz BFCRCMXSBJCRQU-ZWKOTPCHSA-N 0 0 386.473 4.138 20 5 GIBDRN CCN(Cc1ccccc1C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574746005 823817036 /nfs/dbraw/zinc/81/70/36/823817036.db2.gz DIAQOHXSGOIRKK-UHFFFAOYSA-N 0 0 380.448 4.159 20 5 GIBDRN CC(C)Oc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC000413694032 823819334 /nfs/dbraw/zinc/81/93/34/823819334.db2.gz ANADNZXDJHWHDS-UHFFFAOYSA-N 0 0 381.432 4.011 20 5 GIBDRN COc1cc(C(=O)N2CCCSc3ccc(F)cc32)cc([N+](=O)[O-])c1C ZINC000191959294 823825238 /nfs/dbraw/zinc/82/52/38/823825238.db2.gz OAEKGXGHEISYEV-UHFFFAOYSA-N 0 0 376.409 4.194 20 5 GIBDRN Cc1cc(Oc2ncc([N+](=O)[O-])cc2Cl)ccc1I ZINC000462096619 823826948 /nfs/dbraw/zinc/82/69/48/823826948.db2.gz FDRRVOQAVFHPLU-UHFFFAOYSA-N 0 0 390.564 4.349 20 5 GIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000574800190 823831286 /nfs/dbraw/zinc/83/12/86/823831286.db2.gz NCCUDBCUARKOTA-UHFFFAOYSA-N 0 0 391.431 4.355 20 5 GIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000574825577 823835203 /nfs/dbraw/zinc/83/52/03/823835203.db2.gz UJJBUFOODCSZLR-NVXWUHKLSA-N 0 0 392.459 4.289 20 5 GIBDRN O=C(NCC(F)(F)C(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000192017651 823835793 /nfs/dbraw/zinc/83/57/93/823835793.db2.gz UWFYSVNNFJLEIN-UHFFFAOYSA-N 0 0 388.342 4.376 20 5 GIBDRN C[C@@H](C(=O)Nc1ccc(F)cc1OC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000574831684 823836924 /nfs/dbraw/zinc/83/69/24/823836924.db2.gz XMPWLOVOGGSGAT-CYBMUJFWSA-N 0 0 388.395 4.034 20 5 GIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000192044760 823842406 /nfs/dbraw/zinc/84/24/06/823842406.db2.gz IKJFLNURIIURGA-UHFFFAOYSA-N 0 0 384.823 4.232 20 5 GIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000192045407 823843034 /nfs/dbraw/zinc/84/30/34/823843034.db2.gz BBPTWQCDJFEDHD-UHFFFAOYSA-N 0 0 376.825 4.365 20 5 GIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000192046243 823843528 /nfs/dbraw/zinc/84/35/28/823843528.db2.gz IWWOBXRHAQEPGD-UHFFFAOYSA-N 0 0 385.811 4.006 20 5 GIBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000413816769 823844326 /nfs/dbraw/zinc/84/43/26/823844326.db2.gz JTZIPJFNWZTNKP-GBESFXJTSA-N 0 0 377.444 4.104 20 5 GIBDRN Cc1ccc(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462158347 823848212 /nfs/dbraw/zinc/84/82/12/823848212.db2.gz WKJJKHPAICHDPH-UHFFFAOYSA-N 0 0 375.233 4.035 20 5 GIBDRN Cc1ccn(-c2ccccc2CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000126388419 823854383 /nfs/dbraw/zinc/85/43/83/823854383.db2.gz XNWVVUQLKALDFX-UHFFFAOYSA-N 0 0 379.420 4.027 20 5 GIBDRN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413885693 823858469 /nfs/dbraw/zinc/85/84/69/823858469.db2.gz XPTOIQFSMWVAQV-UHFFFAOYSA-N 0 0 389.839 4.053 20 5 GIBDRN CCSc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccn1 ZINC000064679853 823861613 /nfs/dbraw/zinc/86/16/13/823861613.db2.gz UIUHNYVPSGDIJX-UHFFFAOYSA-N 0 0 386.458 4.478 20 5 GIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000462192520 823863282 /nfs/dbraw/zinc/86/32/82/823863282.db2.gz VKTMCKJXIQFJKC-WMLDXEAASA-N 0 0 378.494 4.030 20 5 GIBDRN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Cl)c2ccccc21 ZINC000462202673 823868479 /nfs/dbraw/zinc/86/84/79/823868479.db2.gz IJMCPMUJUKDVHQ-GFCCVEGCSA-N 0 0 386.839 4.210 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc3ccccc3n2C(C)C)c1 ZINC000126445833 823869877 /nfs/dbraw/zinc/86/98/77/823869877.db2.gz JKHLVXKCHNSZKU-UHFFFAOYSA-N 0 0 398.488 4.220 20 5 GIBDRN CCc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000192128821 823870023 /nfs/dbraw/zinc/87/00/23/823870023.db2.gz MNCOFFVTBMQKMX-UHFFFAOYSA-N 0 0 384.823 4.178 20 5 GIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000064724862 823872421 /nfs/dbraw/zinc/87/24/21/823872421.db2.gz OIQRIQDXXOPEPQ-JTQLQIEISA-N 0 0 392.795 4.162 20 5 GIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413953987 823876611 /nfs/dbraw/zinc/87/66/11/823876611.db2.gz KRYLUYVPVLRDKO-GOSISDBHSA-N 0 0 386.835 4.242 20 5 GIBDRN CCc1c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1cccc(C)c1 ZINC000192155379 823883224 /nfs/dbraw/zinc/88/32/24/823883224.db2.gz BOSVLBNZZILAFU-UHFFFAOYSA-N 0 0 389.415 4.385 20 5 GIBDRN COc1cccc(OC(F)(F)F)c1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575002021 823884038 /nfs/dbraw/zinc/88/40/38/823884038.db2.gz VGOTXWSFDQNHFO-AWEZNQCLSA-N 0 0 382.338 4.279 20 5 GIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(CC(F)(F)F)cc3)n2)cc1 ZINC000462233198 823886499 /nfs/dbraw/zinc/88/64/99/823886499.db2.gz CIPQHDZHGRJAAE-UHFFFAOYSA-N 0 0 378.310 4.362 20 5 GIBDRN Cc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000126526890 823890955 /nfs/dbraw/zinc/89/09/55/823890955.db2.gz RIBBVNYDYGJLBG-IBGZPJMESA-N 0 0 381.819 4.471 20 5 GIBDRN COc1cc(Cc2noc(C3(CC(C)C)CCC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000575037412 823897063 /nfs/dbraw/zinc/89/70/63/823897063.db2.gz MDQBUYIOZHHFKI-UHFFFAOYSA-N 0 0 375.425 4.054 20 5 GIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000064836554 823897081 /nfs/dbraw/zinc/89/70/81/823897081.db2.gz DBBOELMZOSSPTF-UHFFFAOYSA-N 0 0 394.431 4.247 20 5 GIBDRN CN1CCCc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc21 ZINC000064845496 823898801 /nfs/dbraw/zinc/89/88/01/823898801.db2.gz UNAIQRAUZPGVDM-UHFFFAOYSA-N 0 0 397.478 4.176 20 5 GIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2nccs2)cc1 ZINC000126592664 823907147 /nfs/dbraw/zinc/90/71/47/823907147.db2.gz SYMMTQLQZDFJST-UHFFFAOYSA-N 0 0 378.413 4.381 20 5 GIBDRN CC(C)Oc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000064907719 823909957 /nfs/dbraw/zinc/90/99/57/823909957.db2.gz GCYBQDIFUBSBAK-UHFFFAOYSA-N 0 0 397.456 4.436 20 5 GIBDRN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(F)cccc1F ZINC000064934554 823914318 /nfs/dbraw/zinc/91/43/18/823914318.db2.gz IWWNTMJPOLZAAD-UHFFFAOYSA-N 0 0 375.356 4.273 20 5 GIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000462295987 823915231 /nfs/dbraw/zinc/91/52/31/823915231.db2.gz ASOXWQQVDIKABX-UHFFFAOYSA-N 0 0 378.450 4.020 20 5 GIBDRN COc1cc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc(OC)c1Cl ZINC000414176502 823923080 /nfs/dbraw/zinc/92/30/80/823923080.db2.gz JBHULUJOTFBLOJ-QWHCGFSZSA-N 0 0 380.832 4.058 20 5 GIBDRN C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462327485 823925955 /nfs/dbraw/zinc/92/59/55/823925955.db2.gz ORINAOFWWZGQAM-VHSXEESVSA-N 0 0 381.281 4.101 20 5 GIBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2c([nH]c3ccccc32)C1 ZINC000126702654 823931198 /nfs/dbraw/zinc/93/11/98/823931198.db2.gz YKWMHNCCPWKBOD-LBPRGKRZSA-N 0 0 398.850 4.115 20 5 GIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2OCC2CC2)c1 ZINC000192282245 823931812 /nfs/dbraw/zinc/93/18/12/823931812.db2.gz FEQLIFCISXDPBI-UHFFFAOYSA-N 0 0 376.409 4.497 20 5 GIBDRN O=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000575178126 823932352 /nfs/dbraw/zinc/93/23/52/823932352.db2.gz ZVJFTBKMMHTNDJ-UHFFFAOYSA-N 0 0 390.115 4.023 20 5 GIBDRN CC(C)C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000462343433 823932628 /nfs/dbraw/zinc/93/26/28/823932628.db2.gz 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