smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CN=C(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)S1 ZINC000820607601 945498945 /nfs/dbraw/zinc/49/89/45/945498945.db2.gz WVOUFMABHOQBFB-UHFFFAOYSA-N -1 3 388.457 1.778 20 5 GDBDHM CC1(C)CN=C(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)S1 ZINC000820607601 945498949 /nfs/dbraw/zinc/49/89/49/945498949.db2.gz WVOUFMABHOQBFB-UHFFFAOYSA-N -1 3 388.457 1.778 20 5 GDBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823467121 946434417 /nfs/dbraw/zinc/43/44/17/946434417.db2.gz SDPAIZVTWBUSBS-JTQLQIEISA-N -1 3 386.397 1.558 20 5 GDBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823467121 946434426 /nfs/dbraw/zinc/43/44/26/946434426.db2.gz SDPAIZVTWBUSBS-JTQLQIEISA-N -1 3 386.397 1.558 20 5 GDBDHM Cn1ccnc1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000826364148 948139499 /nfs/dbraw/zinc/13/94/99/948139499.db2.gz MLRYSRVIBXPVPS-AWEZNQCLSA-N -1 3 397.399 1.112 20 5 GDBDHM Cn1ccnc1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000826364148 948139507 /nfs/dbraw/zinc/13/95/07/948139507.db2.gz MLRYSRVIBXPVPS-AWEZNQCLSA-N -1 3 397.399 1.112 20 5 GDBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826464823 948358943 /nfs/dbraw/zinc/35/89/43/948358943.db2.gz NSIKWYHKGVFJFH-UHFFFAOYSA-N -1 3 387.283 2.000 20 5 GDBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826464823 948358953 /nfs/dbraw/zinc/35/89/53/948358953.db2.gz NSIKWYHKGVFJFH-UHFFFAOYSA-N -1 3 387.283 2.000 20 5 GDBDHM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001575229659 948854838 /nfs/dbraw/zinc/85/48/38/948854838.db2.gz PPDWKACMTAXBAO-DTORHVGOSA-N -1 3 381.343 1.879 20 5 GDBDHM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001575229659 948854857 /nfs/dbraw/zinc/85/48/57/948854857.db2.gz PPDWKACMTAXBAO-DTORHVGOSA-N -1 3 381.343 1.879 20 5 GDBDHM CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001573857711 950412709 /nfs/dbraw/zinc/41/27/09/950412709.db2.gz XNXRICLWCOMFKZ-SECBINFHSA-N -1 3 378.349 1.133 20 5 GDBDHM CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001573857711 950412730 /nfs/dbraw/zinc/41/27/30/950412730.db2.gz XNXRICLWCOMFKZ-SECBINFHSA-N -1 3 378.349 1.133 20 5 GDBDHM CCN1CCN(CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001596436715 984123923 /nfs/dbraw/zinc/12/39/23/984123923.db2.gz OJTWHFIZVNVMBH-GOSISDBHSA-N -1 3 378.429 1.038 20 5 GDBDHM CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C(=O)[O-])C2)C1 ZINC001598598563 993541498 /nfs/dbraw/zinc/54/14/98/993541498.db2.gz PODCMAWFOUARTM-MRXNPFEDSA-N -1 3 383.426 1.399 20 5 GDBDHM COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599241659 998054873 /nfs/dbraw/zinc/05/48/73/998054873.db2.gz DATVVARMQOUDDB-JSGCOSHPSA-N -1 3 379.413 1.656 20 5 GDBDHM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000175340181 530664055 /nfs/dbraw/zinc/66/40/55/530664055.db2.gz IXRYHWIEOJUMJC-SNVBAGLBSA-N -1 3 375.834 1.926 20 5 GDBDHM NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000051137675 530677983 /nfs/dbraw/zinc/67/79/83/530677983.db2.gz ZNCAMDRNBDTOMH-ZDUSSCGKSA-N -1 3 383.813 1.623 20 5 GDBDHM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000055219254 530706456 /nfs/dbraw/zinc/70/64/56/530706456.db2.gz AVFJGAPZNGPPLB-TXEJJXNPSA-N -1 3 375.422 1.512 20 5 GDBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066580203 530763827 /nfs/dbraw/zinc/76/38/27/530763827.db2.gz YSXYFBIRBGNPIK-SNVBAGLBSA-N -1 3 392.275 1.977 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000180650387 530770150 /nfs/dbraw/zinc/77/01/50/530770150.db2.gz AAQUSTMMBBDVRI-SNVBAGLBSA-N -1 3 387.845 1.846 20 5 GDBDHM CN(C)C(=O)CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108873841 530860451 /nfs/dbraw/zinc/86/04/51/530860451.db2.gz YDAHIIMLJPXLRH-UHFFFAOYSA-N -1 3 394.247 1.504 20 5 GDBDHM Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000116651654 530906027 /nfs/dbraw/zinc/90/60/27/530906027.db2.gz LWNKEVACVZSPME-UHFFFAOYSA-N -1 3 383.451 1.981 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)cc1Br ZINC000188350402 530892229 /nfs/dbraw/zinc/89/22/29/530892229.db2.gz SENYFJCECRKFSZ-RKDXNWHRSA-N -1 3 379.232 1.797 20 5 GDBDHM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000188459148 530894389 /nfs/dbraw/zinc/89/43/89/530894389.db2.gz YGXPWALWNHAANZ-QMMMGPOBSA-N -1 3 394.247 1.502 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000124647892 530997992 /nfs/dbraw/zinc/99/79/92/530997992.db2.gz OUOBKYWZJCXVDK-LLVKDONJSA-N -1 3 376.504 1.127 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCn2cccn2)ccc1Br ZINC000130405688 531060871 /nfs/dbraw/zinc/06/08/71/531060871.db2.gz YDWCMRJLGLOTJE-UHFFFAOYSA-N -1 3 389.231 1.922 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000290203224 531216098 /nfs/dbraw/zinc/21/60/98/531216098.db2.gz UEZSOUHJTXABRI-UHFFFAOYSA-N -1 3 385.423 1.749 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCn2cc(CO)nn2)c1 ZINC000290243271 531217915 /nfs/dbraw/zinc/21/79/15/531217915.db2.gz QPCCHVJFVFHHDZ-UHFFFAOYSA-N -1 3 389.821 1.009 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ncnn1C ZINC000276755534 531226868 /nfs/dbraw/zinc/22/68/68/531226868.db2.gz UEDOELXZCREOGH-SSDOTTSWSA-N -1 3 379.320 1.782 20 5 GDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1ncnc2ccsc21 ZINC000524200407 531274388 /nfs/dbraw/zinc/27/43/88/531274388.db2.gz LLEFLLINBDHOFU-UHFFFAOYSA-N -1 3 379.423 1.990 20 5 GDBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000444167638 531395752 /nfs/dbraw/zinc/39/57/52/531395752.db2.gz MERWFJKRVOFGQI-UHFFFAOYSA-N -1 3 380.264 1.976 20 5 GDBDHM CNC(=O)c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000446978852 531412301 /nfs/dbraw/zinc/41/23/01/531412301.db2.gz FQKOUBGNKWWBGV-UHFFFAOYSA-N -1 3 384.439 1.406 20 5 GDBDHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000485933194 531441314 /nfs/dbraw/zinc/44/13/14/531441314.db2.gz MPBSLHTVIMJCBX-ZYHUDNBSSA-N -1 3 380.444 1.064 20 5 GDBDHM CC[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000487349934 531470549 /nfs/dbraw/zinc/47/05/49/531470549.db2.gz GMZBBCPVEXCMSX-GFCCVEGCSA-N -1 3 377.850 1.637 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000363371022 531483259 /nfs/dbraw/zinc/48/32/59/531483259.db2.gz WPDQNUDTFMARSO-NEPJUHHUSA-N -1 3 375.834 1.390 20 5 GDBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000363371076 531483564 /nfs/dbraw/zinc/48/35/64/531483564.db2.gz XUOOZSWQULKPKN-NEPJUHHUSA-N -1 3 375.834 1.390 20 5 GDBDHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000268495390 531522652 /nfs/dbraw/zinc/52/26/52/531522652.db2.gz NKPUAXDXLRLOOG-SNVBAGLBSA-N -1 3 390.849 1.639 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295331685 531561589 /nfs/dbraw/zinc/56/15/89/531561589.db2.gz QFMQOADXDKJIOW-LLVKDONJSA-N -1 3 377.850 1.373 20 5 GDBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1=O ZINC000268886619 531583551 /nfs/dbraw/zinc/58/35/51/531583551.db2.gz SUZYTJNFVPDJQY-MRVPVSSYSA-N -1 3 392.231 1.256 20 5 GDBDHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493895668 531583762 /nfs/dbraw/zinc/58/37/62/531583762.db2.gz ZCVZWUUVKBYLEB-DTWKUNHWSA-N -1 3 378.378 1.609 20 5 GDBDHM CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416376880 531587098 /nfs/dbraw/zinc/58/70/98/531587098.db2.gz PMWHTIAXNCIIGO-UHFFFAOYSA-N -1 3 383.348 1.807 20 5 GDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)[C@@H](O)C(F)F ZINC000295656801 531608871 /nfs/dbraw/zinc/60/88/71/531608871.db2.gz FXQYSODBZUUWBK-MWLCHTKSSA-N -1 3 382.341 1.064 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000269105593 531609252 /nfs/dbraw/zinc/60/92/52/531609252.db2.gz BGBSDGJDYYMRLI-ABAIWWIYSA-N -1 3 388.467 1.936 20 5 GDBDHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000281415903 531614564 /nfs/dbraw/zinc/61/45/64/531614564.db2.gz QNQRUYVMGPECJK-MRVPVSSYSA-N -1 3 383.220 1.033 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000416471383 531632881 /nfs/dbraw/zinc/63/28/81/531632881.db2.gz POPDACAPBILEKM-ZETCQYMHSA-N -1 3 378.275 1.908 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000269454557 531672213 /nfs/dbraw/zinc/67/22/13/531672213.db2.gz FJFQVFILNTTZHW-UHFFFAOYSA-N -1 3 393.215 1.731 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000451784654 531684789 /nfs/dbraw/zinc/68/47/89/531684789.db2.gz DOEQDJJMMDETRE-RNCFNFMXSA-N -1 3 378.378 1.072 20 5 GDBDHM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000590537347 531690640 /nfs/dbraw/zinc/69/06/40/531690640.db2.gz GOSMQPAIMPLISN-UHFFFAOYSA-N -1 3 391.452 1.043 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CCSCC1 ZINC000619493754 531709175 /nfs/dbraw/zinc/70/91/75/531709175.db2.gz PXCSPQGOWPTOTH-UHFFFAOYSA-N -1 3 390.439 1.321 20 5 GDBDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000296810443 531726897 /nfs/dbraw/zinc/72/68/97/531726897.db2.gz UVAXURDAQXGWDN-NSHDSACASA-N -1 3 384.332 1.898 20 5 GDBDHM CN(C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000270111156 531829611 /nfs/dbraw/zinc/82/96/11/531829611.db2.gz DATGCLMUTMGSBF-NSHDSACASA-N -1 3 388.471 1.020 20 5 GDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCO[C@@H]1CC1(F)F)OCCO2 ZINC000594839656 531858842 /nfs/dbraw/zinc/85/88/42/531858842.db2.gz HSSNRDIVVFMIAE-GFCCVEGCSA-N -1 3 380.325 1.069 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000270785516 531921952 /nfs/dbraw/zinc/92/19/52/531921952.db2.gz FBJTTZXCZWLVHW-UHFFFAOYSA-N -1 3 379.188 1.341 20 5 GDBDHM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000270797379 531923687 /nfs/dbraw/zinc/92/36/87/531923687.db2.gz IOMDBOWDVOBFRG-VIFPVBQESA-N -1 3 383.220 1.033 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000284534733 531966030 /nfs/dbraw/zinc/96/60/30/531966030.db2.gz DCIFEGRASGKDBQ-QMTHXVAHSA-N -1 3 376.431 1.040 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccnc2)c(Br)c1 ZINC000271605049 532030484 /nfs/dbraw/zinc/03/04/84/532030484.db2.gz MFULJRHNYCWWFT-UHFFFAOYSA-N -1 3 389.231 1.922 20 5 GDBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000285335300 532069336 /nfs/dbraw/zinc/06/93/36/532069336.db2.gz KDJGRKLDFRISHE-UHFFFAOYSA-N -1 3 390.483 1.414 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000286560994 532159887 /nfs/dbraw/zinc/15/98/87/532159887.db2.gz DGOLNJPMYRQVBL-JTQLQIEISA-N -1 3 396.874 1.660 20 5 GDBDHM COCCOCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000274429497 532210695 /nfs/dbraw/zinc/21/06/95/532210695.db2.gz RSKCCYCOJGATRW-UHFFFAOYSA-N -1 3 380.394 1.082 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCOC2)cc1Br ZINC000287454719 532216160 /nfs/dbraw/zinc/21/61/60/532216160.db2.gz OMLIHDPCXXIOKL-UHFFFAOYSA-N -1 3 377.216 1.982 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CSCCS1 ZINC000276275434 532325512 /nfs/dbraw/zinc/32/55/12/532325512.db2.gz WNAXUJQCTGBTSM-SNVBAGLBSA-N -1 3 392.480 1.508 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000738271943 598991883 /nfs/dbraw/zinc/99/18/83/598991883.db2.gz XAGBDTNOFCUVCU-UHFFFAOYSA-N -1 3 393.407 1.733 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000738271943 598991885 /nfs/dbraw/zinc/99/18/85/598991885.db2.gz XAGBDTNOFCUVCU-UHFFFAOYSA-N -1 3 393.407 1.733 20 5 GDBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820667469 599097223 /nfs/dbraw/zinc/09/72/23/599097223.db2.gz MMWOGHLLEGWZSA-OTYXRUKQSA-N -1 3 383.372 1.114 20 5 GDBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820667469 599097226 /nfs/dbraw/zinc/09/72/26/599097226.db2.gz MMWOGHLLEGWZSA-OTYXRUKQSA-N -1 3 383.372 1.114 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737114062 599123239 /nfs/dbraw/zinc/12/32/39/599123239.db2.gz CDNRDCWQCWZHQO-CQSZACIVSA-N -1 3 398.335 1.167 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737114062 599123240 /nfs/dbraw/zinc/12/32/40/599123240.db2.gz CDNRDCWQCWZHQO-CQSZACIVSA-N -1 3 398.335 1.167 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737282917 599124832 /nfs/dbraw/zinc/12/48/32/599124832.db2.gz KYBIPCXTRNWQEK-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737282917 599124834 /nfs/dbraw/zinc/12/48/34/599124834.db2.gz KYBIPCXTRNWQEK-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737483774 599201502 /nfs/dbraw/zinc/20/15/02/599201502.db2.gz ZPLXOKYVPDUGID-UHFFFAOYSA-N -1 3 397.380 1.400 20 5 GDBDHM CN(C)C(=O)N1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736750737 599272628 /nfs/dbraw/zinc/27/26/28/599272628.db2.gz AWJAWWGSXYRUDG-UHFFFAOYSA-N -1 3 397.399 1.127 20 5 GDBDHM CN(C)C(=O)N1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736750737 599272630 /nfs/dbraw/zinc/27/26/30/599272630.db2.gz AWJAWWGSXYRUDG-UHFFFAOYSA-N -1 3 397.399 1.127 20 5 GDBDHM Nc1ccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1[N+](=O)[O-] ZINC000737772687 598232459 /nfs/dbraw/zinc/23/24/59/598232459.db2.gz FLWJRLDFYXMHDO-UHFFFAOYSA-N -1 3 394.395 1.320 20 5 GDBDHM Nc1ccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000737772687 598232460 /nfs/dbraw/zinc/23/24/60/598232460.db2.gz FLWJRLDFYXMHDO-UHFFFAOYSA-N -1 3 394.395 1.320 20 5 GDBDHM Cc1nn(CCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513809 598327835 /nfs/dbraw/zinc/32/78/35/598327835.db2.gz UNMBDWYLLZAGKT-SNVBAGLBSA-N -1 3 384.400 1.856 20 5 GDBDHM Cc1nn(CCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513809 598327836 /nfs/dbraw/zinc/32/78/36/598327836.db2.gz UNMBDWYLLZAGKT-SNVBAGLBSA-N -1 3 384.400 1.856 20 5 GDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736842318 598334391 /nfs/dbraw/zinc/33/43/91/598334391.db2.gz NTBKONDFGYXQEG-ZDUSSCGKSA-N -1 3 381.400 1.670 20 5 GDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736842318 598334392 /nfs/dbraw/zinc/33/43/92/598334392.db2.gz NTBKONDFGYXQEG-ZDUSSCGKSA-N -1 3 381.400 1.670 20 5 GDBDHM CCc1nc(CN2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)no1 ZINC000736703606 598377451 /nfs/dbraw/zinc/37/74/51/598377451.db2.gz DISHJLSFSDNJTJ-LBPRGKRZSA-N -1 3 399.415 1.797 20 5 GDBDHM CCc1nc(CN2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)no1 ZINC000736703606 598377453 /nfs/dbraw/zinc/37/74/53/598377453.db2.gz DISHJLSFSDNJTJ-LBPRGKRZSA-N -1 3 399.415 1.797 20 5 GDBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738233036 598475745 /nfs/dbraw/zinc/47/57/45/598475745.db2.gz PHCYWKVTIKQIGO-UHFFFAOYSA-N -1 3 383.320 1.903 20 5 GDBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738233036 598475748 /nfs/dbraw/zinc/47/57/48/598475748.db2.gz PHCYWKVTIKQIGO-UHFFFAOYSA-N -1 3 383.320 1.903 20 5 GDBDHM COc1ccc(CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737082195 598495433 /nfs/dbraw/zinc/49/54/33/598495433.db2.gz DZLAUUGJLIYWOF-UHFFFAOYSA-N -1 3 382.380 1.985 20 5 GDBDHM COc1ccc(CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737082195 598495435 /nfs/dbraw/zinc/49/54/35/598495435.db2.gz DZLAUUGJLIYWOF-UHFFFAOYSA-N -1 3 382.380 1.985 20 5 GDBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000737370603 598561079 /nfs/dbraw/zinc/56/10/79/598561079.db2.gz ULUDLDOBIIEHGF-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000737370603 598561082 /nfs/dbraw/zinc/56/10/82/598561082.db2.gz ULUDLDOBIIEHGF-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1sccc1-c1nnn[n-]1 ZINC000737905294 598583972 /nfs/dbraw/zinc/58/39/72/598583972.db2.gz XOBLXDGOBSLKJX-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1sccc1-c1nn[n-]n1 ZINC000737905294 598583974 /nfs/dbraw/zinc/58/39/74/598583974.db2.gz XOBLXDGOBSLKJX-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738167194 598584213 /nfs/dbraw/zinc/58/42/13/598584213.db2.gz OFXRDRSSEPHBTI-UHFFFAOYSA-N -1 3 386.299 1.938 20 5 GDBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738167194 598584214 /nfs/dbraw/zinc/58/42/14/598584214.db2.gz OFXRDRSSEPHBTI-UHFFFAOYSA-N -1 3 386.299 1.938 20 5 GDBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737918591 598588490 /nfs/dbraw/zinc/58/84/90/598588490.db2.gz FJAZGSMDWQHUAC-UHFFFAOYSA-N -1 3 384.352 1.349 20 5 GDBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737803519 598588543 /nfs/dbraw/zinc/58/85/43/598588543.db2.gz TXJCZWSMBDGOAE-BJMVGYQFSA-N -1 3 380.364 1.983 20 5 GDBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737803519 598588545 /nfs/dbraw/zinc/58/85/45/598588545.db2.gz TXJCZWSMBDGOAE-BJMVGYQFSA-N -1 3 380.364 1.983 20 5 GDBDHM Cc1cc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737281456 598689019 /nfs/dbraw/zinc/68/90/19/598689019.db2.gz ZKMFAZSVNJSPFG-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc([N+](=O)[O-])c1 ZINC000736603847 598805704 /nfs/dbraw/zinc/80/57/04/598805704.db2.gz SEPQSQVQPPRRIV-UHFFFAOYSA-N -1 3 383.324 1.599 20 5 GDBDHM CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc([N+](=O)[O-])c1 ZINC000736603847 598805705 /nfs/dbraw/zinc/80/57/05/598805705.db2.gz SEPQSQVQPPRRIV-UHFFFAOYSA-N -1 3 383.324 1.599 20 5 GDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826407863 607367709 /nfs/dbraw/zinc/36/77/09/607367709.db2.gz FPFGLDTUMXVSJI-UHFFFAOYSA-N -1 3 397.347 1.970 20 5 GDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826407863 607367710 /nfs/dbraw/zinc/36/77/10/607367710.db2.gz FPFGLDTUMXVSJI-UHFFFAOYSA-N -1 3 397.347 1.970 20 5 GDBDHM Cc1nc2n(n1)C[C@H](Nc1cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000822463731 599519718 /nfs/dbraw/zinc/51/97/18/599519718.db2.gz VQMQCZSFXOPRBR-SNVBAGLBSA-N -1 3 392.383 1.650 20 5 GDBDHM Cc1nc2n(n1)C[C@H](Nc1cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000822463731 599519719 /nfs/dbraw/zinc/51/97/19/599519719.db2.gz VQMQCZSFXOPRBR-SNVBAGLBSA-N -1 3 392.383 1.650 20 5 GDBDHM C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820328093 599539138 /nfs/dbraw/zinc/53/91/38/599539138.db2.gz MFYILVNQRKHZEF-LLVKDONJSA-N -1 3 396.363 1.844 20 5 GDBDHM C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820328093 599539141 /nfs/dbraw/zinc/53/91/41/599539141.db2.gz MFYILVNQRKHZEF-LLVKDONJSA-N -1 3 396.363 1.844 20 5 GDBDHM CSC[C@H](CCO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962976 599571154 /nfs/dbraw/zinc/57/11/54/599571154.db2.gz ZSCJSKXBKCSXEM-VIFPVBQESA-N -1 3 375.414 1.849 20 5 GDBDHM CSC[C@H](CCO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962976 599571157 /nfs/dbraw/zinc/57/11/57/599571157.db2.gz ZSCJSKXBKCSXEM-VIFPVBQESA-N -1 3 375.414 1.849 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccncc3)cc(-c3nnn[n-]3)c2c1 ZINC000826499763 607543266 /nfs/dbraw/zinc/54/32/66/607543266.db2.gz WHXFPDZTZTVUGV-OAHLLOKOSA-N -1 3 378.352 1.864 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccncc3)cc(-c3nn[n-]n3)c2c1 ZINC000826499763 607543267 /nfs/dbraw/zinc/54/32/67/607543267.db2.gz WHXFPDZTZTVUGV-OAHLLOKOSA-N -1 3 378.352 1.864 20 5 GDBDHM COc1ccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826203497 607593764 /nfs/dbraw/zinc/59/37/64/607593764.db2.gz RCSQNCPJLFAUMU-UHFFFAOYSA-N -1 3 390.381 1.262 20 5 GDBDHM COc1ccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826203497 607593765 /nfs/dbraw/zinc/59/37/65/607593765.db2.gz RCSQNCPJLFAUMU-UHFFFAOYSA-N -1 3 390.381 1.262 20 5 GDBDHM COc1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826200928 607606896 /nfs/dbraw/zinc/60/68/96/607606896.db2.gz PLJAMUSLERHZTL-UHFFFAOYSA-N -1 3 390.306 1.992 20 5 GDBDHM COc1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826200928 607606898 /nfs/dbraw/zinc/60/68/98/607606898.db2.gz PLJAMUSLERHZTL-UHFFFAOYSA-N -1 3 390.306 1.992 20 5 GDBDHM CC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000823972654 607735728 /nfs/dbraw/zinc/73/57/28/607735728.db2.gz DTNZDHDRLXNXQS-MEBBXXQBSA-N -1 3 396.411 1.992 20 5 GDBDHM CC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000823972654 607735729 /nfs/dbraw/zinc/73/57/29/607735729.db2.gz DTNZDHDRLXNXQS-MEBBXXQBSA-N -1 3 396.411 1.992 20 5 GDBDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000834162268 605359300 /nfs/dbraw/zinc/35/93/00/605359300.db2.gz SOURTKQLGKGEAE-JALIKCBVSA-N -1 3 379.413 1.988 20 5 GDBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC000825545700 607759827 /nfs/dbraw/zinc/75/98/27/607759827.db2.gz VOPBHSSMFDATGQ-UHFFFAOYSA-N -1 3 398.339 1.991 20 5 GDBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC000825545700 607759828 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599230199 /nfs/dbraw/zinc/23/01/99/599230199.db2.gz ZBRLMIPKVHPOBT-LBPRGKRZSA-N -1 3 382.380 1.901 20 5 GDBDHM CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000736748567 598281860 /nfs/dbraw/zinc/28/18/60/598281860.db2.gz JADXHAJQBUFUAL-UHFFFAOYSA-N -1 3 386.299 1.919 20 5 GDBDHM CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000736748567 598281862 /nfs/dbraw/zinc/28/18/62/598281862.db2.gz JADXHAJQBUFUAL-UHFFFAOYSA-N -1 3 386.299 1.919 20 5 GDBDHM Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nn1 ZINC000737350862 598335034 /nfs/dbraw/zinc/33/50/34/598335034.db2.gz IWBBWRRQZOSZJV-LBPRGKRZSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nn1 ZINC000737350862 598335036 /nfs/dbraw/zinc/33/50/36/598335036.db2.gz IWBBWRRQZOSZJV-LBPRGKRZSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1cc(C)n(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)n1 ZINC000737254267 598339300 /nfs/dbraw/zinc/33/93/00/598339300.db2.gz BRSGKFPWXDKNLG-CQSZACIVSA-N -1 3 384.400 1.494 20 5 GDBDHM Cc1cc(C)n(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)n1 ZINC000737254267 598339302 /nfs/dbraw/zinc/33/93/02/598339302.db2.gz BRSGKFPWXDKNLG-CQSZACIVSA-N -1 3 384.400 1.494 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3nnc4n3CCC4)C2)c(-c2nnn[n-]2)c1 ZINC000738370546 598389147 /nfs/dbraw/zinc/38/91/47/598389147.db2.gz VRLDOXBRRCZYJI-JTQLQIEISA-N -1 3 382.388 1.092 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3nnc4n3CCC4)C2)c(-c2nn[n-]n2)c1 ZINC000738370546 598389149 /nfs/dbraw/zinc/38/91/49/598389149.db2.gz VRLDOXBRRCZYJI-JTQLQIEISA-N -1 3 382.388 1.092 20 5 GDBDHM Cc1cc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737241455 598531761 /nfs/dbraw/zinc/53/17/61/598531761.db2.gz KGZFHUGTERAAJL-UHFFFAOYSA-N -1 3 397.351 1.461 20 5 GDBDHM Cc1cc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737241455 598531762 /nfs/dbraw/zinc/53/17/62/598531762.db2.gz KGZFHUGTERAAJL-UHFFFAOYSA-N -1 3 397.351 1.461 20 5 GDBDHM Cc1nc(CN2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)no1 ZINC000737476182 598544913 /nfs/dbraw/zinc/54/49/13/598544913.db2.gz FGUGTNNKSUZWAU-CYBMUJFWSA-N -1 3 399.415 1.567 20 5 GDBDHM Cc1nc(CN2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)no1 ZINC000737476182 598544914 /nfs/dbraw/zinc/54/49/14/598544914.db2.gz FGUGTNNKSUZWAU-CYBMUJFWSA-N -1 3 399.415 1.567 20 5 GDBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737217952 598559936 /nfs/dbraw/zinc/55/99/36/598559936.db2.gz IIPLJDYTHVFCOJ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737217952 598559938 /nfs/dbraw/zinc/55/99/38/598559938.db2.gz IIPLJDYTHVFCOJ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738233081 598584476 /nfs/dbraw/zinc/58/44/76/598584476.db2.gz PXZKRENOMHGERI-UHFFFAOYSA-N -1 3 392.335 1.713 20 5 GDBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738233081 598584477 /nfs/dbraw/zinc/58/44/77/598584477.db2.gz PXZKRENOMHGERI-UHFFFAOYSA-N -1 3 392.335 1.713 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738211037 598615848 /nfs/dbraw/zinc/61/58/48/598615848.db2.gz YKROSBBYSWRDOZ-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738211037 598615850 /nfs/dbraw/zinc/61/58/50/598615850.db2.gz YKROSBBYSWRDOZ-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738207573 599297657 /nfs/dbraw/zinc/29/76/57/599297657.db2.gz JXVKNEWNSKNFKC-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738207573 599297659 /nfs/dbraw/zinc/29/76/59/599297659.db2.gz JXVKNEWNSKNFKC-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM COc1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826177780 607370433 /nfs/dbraw/zinc/37/04/33/607370433.db2.gz VCUPOFYAONCMEU-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COc1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826177780 607370434 /nfs/dbraw/zinc/37/04/34/607370434.db2.gz VCUPOFYAONCMEU-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000821751819 607375688 /nfs/dbraw/zinc/37/56/88/607375688.db2.gz CPGHLYJJYXYUGA-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCc1ccccc1[N+](=O)[O-] ZINC000823201210 599421525 /nfs/dbraw/zinc/42/15/25/599421525.db2.gz CZESKGINPJTLIN-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCc1ccccc1[N+](=O)[O-] ZINC000823201210 599421528 /nfs/dbraw/zinc/42/15/28/599421528.db2.gz CZESKGINPJTLIN-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM NS(=O)(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1 ZINC000822899543 599501335 /nfs/dbraw/zinc/50/13/35/599501335.db2.gz KHVWDJPLAKFXAY-UHFFFAOYSA-N -1 3 375.370 1.034 20 5 GDBDHM NS(=O)(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1 ZINC000822899543 599501338 /nfs/dbraw/zinc/50/13/38/599501338.db2.gz KHVWDJPLAKFXAY-UHFFFAOYSA-N -1 3 375.370 1.034 20 5 GDBDHM CC(C)N1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000820128061 599515285 /nfs/dbraw/zinc/51/52/85/599515285.db2.gz PTOIBCBFLVLQPO-SNVBAGLBSA-N -1 3 382.384 1.744 20 5 GDBDHM CC(C)N1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000820128061 599515287 /nfs/dbraw/zinc/51/52/87/599515287.db2.gz PTOIBCBFLVLQPO-SNVBAGLBSA-N -1 3 382.384 1.744 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822271212 599667536 /nfs/dbraw/zinc/66/75/36/599667536.db2.gz QUDDJXMQQURFHL-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822271212 599667537 /nfs/dbraw/zinc/66/75/37/599667537.db2.gz QUDDJXMQQURFHL-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000821741763 607415194 /nfs/dbraw/zinc/41/51/94/607415194.db2.gz RPESZHIQTOZHDZ-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000821741763 607415195 /nfs/dbraw/zinc/41/51/95/607415195.db2.gz RPESZHIQTOZHDZ-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826417969 607468248 /nfs/dbraw/zinc/46/82/48/607468248.db2.gz MOMIDHNGDZHMSU-UHFFFAOYSA-N -1 3 392.335 1.736 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826417969 607468250 /nfs/dbraw/zinc/46/82/50/607468250.db2.gz MOMIDHNGDZHMSU-UHFFFAOYSA-N -1 3 392.335 1.736 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000826499297 607531267 /nfs/dbraw/zinc/53/12/67/607531267.db2.gz DAZKURBTYMALAA-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000826499297 607531268 /nfs/dbraw/zinc/53/12/68/607531268.db2.gz DAZKURBTYMALAA-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1cccc([C@H](O)CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826499680 607553969 /nfs/dbraw/zinc/55/39/69/607553969.db2.gz SCUIWRDPYCPVTH-MRXNPFEDSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1cccc([C@H](O)CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826499680 607553972 /nfs/dbraw/zinc/55/39/72/607553972.db2.gz SCUIWRDPYCPVTH-MRXNPFEDSA-N -1 3 396.411 1.026 20 5 GDBDHM COc1ccc(COC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205936 607596196 /nfs/dbraw/zinc/59/61/96/607596196.db2.gz UZWHHVRROBBJLD-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM COc1ccc(COC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205936 607596197 /nfs/dbraw/zinc/59/61/97/607596197.db2.gz UZWHHVRROBBJLD-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM O=Cc1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826483869 607601282 /nfs/dbraw/zinc/60/12/82/607601282.db2.gz CYPZYUNIAGGELM-UHFFFAOYSA-N -1 3 375.322 1.355 20 5 GDBDHM O=Cc1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826483869 607601283 /nfs/dbraw/zinc/60/12/83/607601283.db2.gz CYPZYUNIAGGELM-UHFFFAOYSA-N -1 3 375.322 1.355 20 5 GDBDHM NC(=O)C[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864706 606141218 /nfs/dbraw/zinc/14/12/18/606141218.db2.gz IUIMFYHWHSKMOJ-SNVBAGLBSA-N -1 3 382.384 1.415 20 5 GDBDHM NC(=O)C[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864706 606141219 /nfs/dbraw/zinc/14/12/19/606141219.db2.gz IUIMFYHWHSKMOJ-SNVBAGLBSA-N -1 3 382.384 1.415 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648897 606368933 /nfs/dbraw/zinc/36/89/33/606368933.db2.gz WKYXIJLDHQDOOO-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648897 606368935 /nfs/dbraw/zinc/36/89/35/606368935.db2.gz WKYXIJLDHQDOOO-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM CC(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803694 606456362 /nfs/dbraw/zinc/45/63/62/606456362.db2.gz PSPSQBSYCFCEGW-NSHDSACASA-N -1 3 382.384 1.428 20 5 GDBDHM CC(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803694 606456364 /nfs/dbraw/zinc/45/63/64/606456364.db2.gz PSPSQBSYCFCEGW-NSHDSACASA-N -1 3 382.384 1.428 20 5 GDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000820455351 606644577 /nfs/dbraw/zinc/64/45/77/606644577.db2.gz HMXDFKHNKQDGNC-SECBINFHSA-N -1 3 389.397 1.595 20 5 GDBDHM Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822162021 606785254 /nfs/dbraw/zinc/78/52/54/606785254.db2.gz WFCJTBQRVOWYBL-UHFFFAOYSA-N -1 3 389.759 1.537 20 5 GDBDHM Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822162021 606785256 /nfs/dbraw/zinc/78/52/56/606785256.db2.gz WFCJTBQRVOWYBL-UHFFFAOYSA-N -1 3 389.759 1.537 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648750 606796794 /nfs/dbraw/zinc/79/67/94/606796794.db2.gz RNKRHWYDKOKLEF-ZDUSSCGKSA-N -1 3 384.308 1.241 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648750 606796796 /nfs/dbraw/zinc/79/67/96/606796796.db2.gz RNKRHWYDKOKLEF-ZDUSSCGKSA-N -1 3 384.308 1.241 20 5 GDBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823488140 606863446 /nfs/dbraw/zinc/86/34/46/606863446.db2.gz JUKASLUTWJFUEC-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823488140 606863447 /nfs/dbraw/zinc/86/34/47/606863447.db2.gz JUKASLUTWJFUEC-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822907208 606900037 /nfs/dbraw/zinc/90/00/37/606900037.db2.gz BAFGQXJHJUKTCL-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822907208 606900038 /nfs/dbraw/zinc/90/00/38/606900038.db2.gz BAFGQXJHJUKTCL-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)ccc1[N+](=O)[O-] ZINC000821728297 607048211 /nfs/dbraw/zinc/04/82/11/607048211.db2.gz SXYUAVDKNXENTB-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC000821728297 607048213 /nfs/dbraw/zinc/04/82/13/607048213.db2.gz SXYUAVDKNXENTB-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COC(=O)CCN(C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821661548 607225782 /nfs/dbraw/zinc/22/57/82/607225782.db2.gz OADFURLPFZAILS-LBPRGKRZSA-N -1 3 376.373 1.323 20 5 GDBDHM COC(=O)CCN(C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821661548 607225783 /nfs/dbraw/zinc/22/57/83/607225783.db2.gz OADFURLPFZAILS-LBPRGKRZSA-N -1 3 376.373 1.323 20 5 GDBDHM COc1cc(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826181170 607786761 /nfs/dbraw/zinc/78/67/61/607786761.db2.gz NRFPJEMZZHBQIW-UHFFFAOYSA-N -1 3 384.352 1.825 20 5 GDBDHM COc1cc(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826181170 607786762 /nfs/dbraw/zinc/78/67/62/607786762.db2.gz NRFPJEMZZHBQIW-UHFFFAOYSA-N -1 3 384.352 1.825 20 5 GDBDHM CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nnn[n-]1 ZINC000825817187 607790018 /nfs/dbraw/zinc/79/00/18/607790018.db2.gz FNDKTIWIUKHYEF-UHFFFAOYSA-N -1 3 395.379 1.558 20 5 GDBDHM CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nn[n-]n1 ZINC000825817187 607790019 /nfs/dbraw/zinc/79/00/19/607790019.db2.gz FNDKTIWIUKHYEF-UHFFFAOYSA-N -1 3 395.379 1.558 20 5 GDBDHM Cc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826299998 607866686 /nfs/dbraw/zinc/86/66/86/607866686.db2.gz DGYSTNUDFFLAED-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826498530 607938854 /nfs/dbraw/zinc/93/88/54/607938854.db2.gz ZIWABDDOMYJIQH-UHFFFAOYSA-N -1 3 386.393 1.667 20 5 GDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826498530 607938855 /nfs/dbraw/zinc/93/88/55/607938855.db2.gz ZIWABDDOMYJIQH-UHFFFAOYSA-N -1 3 386.393 1.667 20 5 GDBDHM O=Cc1ccc(OCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])c1 ZINC000826484279 607947495 /nfs/dbraw/zinc/94/74/95/607947495.db2.gz WKQQUPJKSFLLFP-UHFFFAOYSA-N -1 3 394.347 1.556 20 5 GDBDHM O=Cc1ccc(OCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])c1 ZINC000826484279 607947496 /nfs/dbraw/zinc/94/74/96/607947496.db2.gz WKQQUPJKSFLLFP-UHFFFAOYSA-N -1 3 394.347 1.556 20 5 GDBDHM O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474874 607949681 /nfs/dbraw/zinc/94/96/81/607949681.db2.gz JMLFPFDQLPMHPL-UHFFFAOYSA-N -1 3 376.336 1.854 20 5 GDBDHM Nc1c(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cccc1[N+](=O)[O-] ZINC000826395588 608080276 /nfs/dbraw/zinc/08/02/76/608080276.db2.gz KAZLZHYSULYOTH-HNNXBMFYSA-N -1 3 395.379 1.571 20 5 GDBDHM Nc1c(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826395588 608080277 /nfs/dbraw/zinc/08/02/77/608080277.db2.gz KAZLZHYSULYOTH-HNNXBMFYSA-N -1 3 395.379 1.571 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826501815 608125505 /nfs/dbraw/zinc/12/55/05/608125505.db2.gz IGPQRTFCLWDISF-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826501815 608125506 /nfs/dbraw/zinc/12/55/06/608125506.db2.gz IGPQRTFCLWDISF-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM CN(C)c1ccc(COC(=O)COc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825879376 608128496 /nfs/dbraw/zinc/12/84/96/608128496.db2.gz LVDAVNXYGILFBW-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM CN(C)c1ccc(COC(=O)COc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825879376 608128497 /nfs/dbraw/zinc/12/84/97/608128497.db2.gz LVDAVNXYGILFBW-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM CCC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000825035148 608163196 /nfs/dbraw/zinc/16/31/96/608163196.db2.gz WBYACJAXFTZDOF-MRVPVSSYSA-N -1 3 393.791 1.625 20 5 GDBDHM CCC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000825035148 608163197 /nfs/dbraw/zinc/16/31/97/608163197.db2.gz WBYACJAXFTZDOF-MRVPVSSYSA-N -1 3 393.791 1.625 20 5 GDBDHM Cc1nn(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000826334004 608387306 /nfs/dbraw/zinc/38/73/06/608387306.db2.gz CVYLJHCARSBRPT-UHFFFAOYSA-N -1 3 376.764 1.880 20 5 GDBDHM Cc1nn(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000826334004 608387307 /nfs/dbraw/zinc/38/73/07/608387307.db2.gz CVYLJHCARSBRPT-UHFFFAOYSA-N -1 3 376.764 1.880 20 5 GDBDHM O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826501707 608398466 /nfs/dbraw/zinc/39/84/66/608398466.db2.gz DESOPFSVRLROTF-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826501707 608398468 /nfs/dbraw/zinc/39/84/68/608398468.db2.gz DESOPFSVRLROTF-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826459254 609256444 /nfs/dbraw/zinc/25/64/44/609256444.db2.gz BXINCUXRAVBQRL-CYBMUJFWSA-N -1 3 380.324 1.323 20 5 GDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459254 609256445 /nfs/dbraw/zinc/25/64/45/609256445.db2.gz BXINCUXRAVBQRL-CYBMUJFWSA-N -1 3 380.324 1.323 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826499651 609489319 /nfs/dbraw/zinc/48/93/19/609489319.db2.gz RBMAXKSPYAYLAW-UHFFFAOYSA-N -1 3 392.422 1.736 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826499651 609489321 /nfs/dbraw/zinc/48/93/21/609489321.db2.gz RBMAXKSPYAYLAW-UHFFFAOYSA-N -1 3 392.422 1.736 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000826174773 609491957 /nfs/dbraw/zinc/49/19/57/609491957.db2.gz IXDGYCGRLWIWAV-LBPRGKRZSA-N -1 3 387.352 1.602 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000826174773 609491958 /nfs/dbraw/zinc/49/19/58/609491958.db2.gz IXDGYCGRLWIWAV-LBPRGKRZSA-N -1 3 387.352 1.602 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccnn2)c(Br)c1 ZINC000544102087 650434582 /nfs/dbraw/zinc/43/45/82/650434582.db2.gz YXZWLIQKXSDCKN-UHFFFAOYSA-N -1 3 390.219 1.317 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)c(F)c1 ZINC000370824094 645707432 /nfs/dbraw/zinc/70/74/32/645707432.db2.gz OLLJTIAUEVUKLE-LBPRGKRZSA-N -1 3 386.382 1.541 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000920017996 660263860 /nfs/dbraw/zinc/26/38/60/660263860.db2.gz DSARKKNCXVQWDX-GXFFZTMASA-N -1 3 376.866 1.161 20 5 GDBDHM CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000463228712 647554018 /nfs/dbraw/zinc/55/40/18/647554018.db2.gz KVXNNUYMZIBULV-AWEZNQCLSA-N -1 3 394.833 1.619 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000599392012 652488962 /nfs/dbraw/zinc/48/89/62/652488962.db2.gz OVOIKYIDNMTDHU-GHMZBOCLSA-N -1 3 384.332 1.432 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000599392747 652489056 /nfs/dbraw/zinc/48/90/56/652489056.db2.gz XBEWTWBOYPTTNR-WDEREUQCSA-N -1 3 384.332 1.432 20 5 GDBDHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599454283 652499643 /nfs/dbraw/zinc/49/96/43/652499643.db2.gz JWPQAIHSKLPTRO-JTQLQIEISA-N -1 3 383.348 1.223 20 5 GDBDHM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000610136460 652873657 /nfs/dbraw/zinc/87/36/57/652873657.db2.gz VBSPOTRMTUIWRG-MWLCHTKSSA-N -1 3 380.419 1.368 20 5 GDBDHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000769750886 654481041 /nfs/dbraw/zinc/48/10/41/654481041.db2.gz FAGGCBZLRVLHPP-MRVPVSSYSA-N -1 3 395.231 1.835 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c1 ZINC000769751846 654481098 /nfs/dbraw/zinc/48/10/98/654481098.db2.gz ZYCDCALDPAYTKX-KCJUWKMLSA-N -1 3 379.232 1.797 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1[N-]c1ccn(CCO)n1 ZINC000741752062 654691868 /nfs/dbraw/zinc/69/18/68/654691868.db2.gz RBXYABNPOQYKIH-UHFFFAOYSA-N -1 3 380.304 1.821 20 5 GDBDHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742289900 654700288 /nfs/dbraw/zinc/70/02/88/654700288.db2.gz OMAXUXOUBOFCOM-UHFFFAOYSA-N -1 3 395.231 1.977 20 5 GDBDHM CC(C)OC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742292452 654700563 /nfs/dbraw/zinc/70/05/63/654700563.db2.gz GCTWUTTZXJYOBX-UHFFFAOYSA-N -1 3 381.204 1.587 20 5 GDBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751377384 654886028 /nfs/dbraw/zinc/88/60/28/654886028.db2.gz TXEUFQPTMWSFIY-LBPRGKRZSA-N -1 3 397.247 1.423 20 5 GDBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000751972143 654913300 /nfs/dbraw/zinc/91/33/00/654913300.db2.gz JBKCSEBLWIJZLW-NSHDSACASA-N -1 3 393.215 1.587 20 5 GDBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n(C)n1 ZINC000790349797 655045480 /nfs/dbraw/zinc/04/54/80/655045480.db2.gz VOGMJNWUUYRHFW-UHFFFAOYSA-N -1 3 389.231 1.878 20 5 GDBDHM CN1CCC(O)(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815020411 655279041 /nfs/dbraw/zinc/27/90/41/655279041.db2.gz XZLOEJWHCQIMNB-UHFFFAOYSA-N -1 3 381.813 1.122 20 5 GDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C(=O)O1 ZINC000841525482 655337332 /nfs/dbraw/zinc/33/73/32/655337332.db2.gz RTEICGGBVIUMPA-MUWHJKNJSA-N -1 3 379.188 1.340 20 5 GDBDHM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000851818811 655596912 /nfs/dbraw/zinc/59/69/12/655596912.db2.gz XLIZFEGPVLAJPA-SNVBAGLBSA-N -1 3 392.231 1.160 20 5 GDBDHM CC(C)(C)OC(=O)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000819928037 945314422 /nfs/dbraw/zinc/31/44/22/945314422.db2.gz HAJLWOYSORSACA-CYBMUJFWSA-N -1 3 376.373 1.322 20 5 GDBDHM CC(C)(C)OC(=O)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000819928037 945314430 /nfs/dbraw/zinc/31/44/30/945314430.db2.gz HAJLWOYSORSACA-CYBMUJFWSA-N -1 3 376.373 1.322 20 5 GDBDHM O=C([O-])c1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001611540105 971100524 /nfs/dbraw/zinc/10/05/24/971100524.db2.gz LKOLSBFYUIZGEL-UHFFFAOYSA-N -1 3 379.394 1.361 20 5 GDBDHM O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823022634 946279409 /nfs/dbraw/zinc/27/94/09/946279409.db2.gz KEEGCTSEMRPKLE-UHFFFAOYSA-N -1 3 382.336 1.499 20 5 GDBDHM O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823022634 946279420 /nfs/dbraw/zinc/27/94/20/946279420.db2.gz KEEGCTSEMRPKLE-UHFFFAOYSA-N -1 3 382.336 1.499 20 5 GDBDHM O=[N+]([O-])c1ccc([C@H](O)CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000826498408 948414165 /nfs/dbraw/zinc/41/41/65/948414165.db2.gz SWHJTSZAJSUPRD-MRXNPFEDSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1ccc([C@H](O)CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000826498408 948414170 /nfs/dbraw/zinc/41/41/70/948414170.db2.gz SWHJTSZAJSUPRD-MRXNPFEDSA-N -1 3 396.411 1.026 20 5 GDBDHM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575206792 952530597 /nfs/dbraw/zinc/53/05/97/952530597.db2.gz LWAIECJIOUIKFP-JTQLQIEISA-N -1 3 393.367 1.380 20 5 GDBDHM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575206792 952530603 /nfs/dbraw/zinc/53/06/03/952530603.db2.gz LWAIECJIOUIKFP-JTQLQIEISA-N -1 3 393.367 1.380 20 5 GDBDHM CCOc1ccc(NC(=O)CN(CCC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC001332338884 957755817 /nfs/dbraw/zinc/75/58/17/957755817.db2.gz GJBZGJDQBYMWGX-UHFFFAOYSA-N -1 3 395.412 1.888 20 5 GDBDHM CCO[C@@H]1C[C@@](CO)(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001596810962 985357676 /nfs/dbraw/zinc/35/76/76/985357676.db2.gz YPNYLRVDSOPIBS-QAPCUYQASA-N -1 3 382.413 1.714 20 5 GDBDHM CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598110108 990501510 /nfs/dbraw/zinc/50/15/10/990501510.db2.gz OGLSQWPPFZEAGB-UHFFFAOYSA-N -1 3 385.442 1.788 20 5 GDBDHM CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])CC[C@@H]21 ZINC001598599081 993549846 /nfs/dbraw/zinc/54/98/46/993549846.db2.gz RAVWCFZRSURIMM-FZMZJTMJSA-N -1 3 383.426 1.398 20 5 GDBDHM CC1(C)CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC(C)(C)N1 ZINC001593922893 996835624 /nfs/dbraw/zinc/83/56/24/996835624.db2.gz CWMPTADKJBSUAX-UHFFFAOYSA-N -1 3 385.442 1.834 20 5 GDBDHM COCCN1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599243382 998090389 /nfs/dbraw/zinc/09/03/89/998090389.db2.gz HLYVJDXMPOMWRS-CYBMUJFWSA-N -1 3 380.401 1.834 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCN(CCO)CC1 ZINC000161406013 530559529 /nfs/dbraw/zinc/55/95/29/530559529.db2.gz HHSQQFNNRBIYKQ-UHFFFAOYSA-N -1 3 377.850 1.231 20 5 GDBDHM 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CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736780614 598304683 /nfs/dbraw/zinc/30/46/83/598304683.db2.gz RNPCQDQJSGUXES-UHFFFAOYSA-N -1 3 385.359 1.910 20 5 GDBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736780614 598304685 /nfs/dbraw/zinc/30/46/85/598304685.db2.gz RNPCQDQJSGUXES-UHFFFAOYSA-N -1 3 385.359 1.910 20 5 GDBDHM CN(c1cccnn1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736844136 598502116 /nfs/dbraw/zinc/50/21/16/598502116.db2.gz RXPILXJYVLIFIX-UHFFFAOYSA-N -1 3 382.388 1.065 20 5 GDBDHM CN(c1cccnn1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736844136 598502117 /nfs/dbraw/zinc/50/21/17/598502117.db2.gz RXPILXJYVLIFIX-UHFFFAOYSA-N -1 3 382.388 1.065 20 5 GDBDHM CCc1noc([C@@H](C)N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000736714426 598672876 /nfs/dbraw/zinc/67/28/76/598672876.db2.gz ZBONBKZNBXOFJO-LLVKDONJSA-N -1 3 399.415 1.604 20 5 GDBDHM CCc1noc([C@@H](C)N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000736714426 598672877 /nfs/dbraw/zinc/67/28/77/598672877.db2.gz ZBONBKZNBXOFJO-LLVKDONJSA-N -1 3 399.415 1.604 20 5 GDBDHM Cc1nn(C)c(C)c1CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737512456 598673035 /nfs/dbraw/zinc/67/30/35/598673035.db2.gz VUHUUYXFWCNPHU-UHFFFAOYSA-N -1 3 397.443 1.447 20 5 GDBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738076049 598675458 /nfs/dbraw/zinc/67/54/58/598675458.db2.gz PNCMZKVCGPSHQW-UHFFFAOYSA-N -1 3 386.347 1.541 20 5 GDBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738076049 598675459 /nfs/dbraw/zinc/67/54/59/598675459.db2.gz PNCMZKVCGPSHQW-UHFFFAOYSA-N -1 3 386.347 1.541 20 5 GDBDHM O=C(COc1ccccc1[N+](=O)[O-])OCCNc1ncccc1-c1nnn[n-]1 ZINC000737928837 598735882 /nfs/dbraw/zinc/73/58/82/598735882.db2.gz ILKVKGBHMZZOGP-UHFFFAOYSA-N -1 3 385.340 1.204 20 5 GDBDHM O=C(COc1ccccc1[N+](=O)[O-])OCCNc1ncccc1-c1nn[n-]n1 ZINC000737928837 598735883 /nfs/dbraw/zinc/73/58/83/598735883.db2.gz ILKVKGBHMZZOGP-UHFFFAOYSA-N -1 3 385.340 1.204 20 5 GDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736843060 598775913 /nfs/dbraw/zinc/77/59/13/598775913.db2.gz YQKYOXWCAQBIBR-NSHDSACASA-N -1 3 385.306 1.374 20 5 GDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736843060 598775914 /nfs/dbraw/zinc/77/59/14/598775914.db2.gz YQKYOXWCAQBIBR-NSHDSACASA-N -1 3 385.306 1.374 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000823214837 599413380 /nfs/dbraw/zinc/41/33/80/599413380.db2.gz DCWXLLUJJYEHTK-UHFFFAOYSA-N -1 3 383.368 1.653 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000821731707 607375896 /nfs/dbraw/zinc/37/58/96/607375896.db2.gz FGRWIVUYVKTMQA-UHFFFAOYSA-N -1 3 380.320 1.580 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000821731707 607375899 /nfs/dbraw/zinc/37/58/99/607375899.db2.gz FGRWIVUYVKTMQA-UHFFFAOYSA-N -1 3 380.320 1.580 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823488737 599570224 /nfs/dbraw/zinc/57/02/24/599570224.db2.gz UJTBAUCKZMOJDB-UHFFFAOYSA-N -1 3 397.370 1.876 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823488737 599570226 /nfs/dbraw/zinc/57/02/26/599570226.db2.gz UJTBAUCKZMOJDB-UHFFFAOYSA-N -1 3 397.370 1.876 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000822319227 599603664 /nfs/dbraw/zinc/60/36/64/599603664.db2.gz OFHAUFGAYPLCES-UHFFFAOYSA-N -1 3 381.352 1.338 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000822319227 599603665 /nfs/dbraw/zinc/60/36/65/599603665.db2.gz OFHAUFGAYPLCES-UHFFFAOYSA-N -1 3 381.352 1.338 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822045140 599619398 /nfs/dbraw/zinc/61/93/98/599619398.db2.gz PGKRCTXQYJGCQL-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822045140 599619399 /nfs/dbraw/zinc/61/93/99/599619399.db2.gz PGKRCTXQYJGCQL-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822242625 599619581 /nfs/dbraw/zinc/61/95/81/599619581.db2.gz ROAUECJABOLMKW-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822242625 599619582 /nfs/dbraw/zinc/61/95/82/599619582.db2.gz ROAUECJABOLMKW-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cn1ccnc1[C@H](O)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000822698664 607387856 /nfs/dbraw/zinc/38/78/56/607387856.db2.gz AFSUUHBFLIVZJS-OAHLLOKOSA-N -1 3 384.400 1.458 20 5 GDBDHM Cn1ccnc1[C@H](O)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000822698664 607387858 /nfs/dbraw/zinc/38/78/58/607387858.db2.gz AFSUUHBFLIVZJS-OAHLLOKOSA-N -1 3 384.400 1.458 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(F)c1 ZINC000826498234 607465999 /nfs/dbraw/zinc/46/59/99/607465999.db2.gz MIBXLEYOSBUBCG-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(F)c1 ZINC000826498234 607466000 /nfs/dbraw/zinc/46/60/00/607466000.db2.gz MIBXLEYOSBUBCG-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=C([O-])[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN(Cc2ccccc2)C1 ZINC000833122688 601733762 /nfs/dbraw/zinc/73/37/62/601733762.db2.gz IWFCQLBNLHOAIE-SFHVURJKSA-N -1 3 387.396 1.027 20 5 GDBDHM CC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824030192 607549337 /nfs/dbraw/zinc/54/93/37/607549337.db2.gz YTLGWWXZUNLJDE-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM CC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824030192 607549338 /nfs/dbraw/zinc/54/93/38/607549338.db2.gz YTLGWWXZUNLJDE-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826423190 607562874 /nfs/dbraw/zinc/56/28/74/607562874.db2.gz CFIYBNWDHJLBLV-UHFFFAOYSA-N -1 3 376.336 1.899 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826423190 607562876 /nfs/dbraw/zinc/56/28/76/607562876.db2.gz CFIYBNWDHJLBLV-UHFFFAOYSA-N -1 3 376.336 1.899 20 5 GDBDHM Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890760 604278157 /nfs/dbraw/zinc/27/81/57/604278157.db2.gz BEEIRLYJAKUOLK-HNNXBMFYSA-N -1 3 376.413 1.344 20 5 GDBDHM CC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000823972652 607735642 /nfs/dbraw/zinc/73/56/42/607735642.db2.gz DTNZDHDRLXNXQS-BMIGLBTASA-N -1 3 396.411 1.992 20 5 GDBDHM CC(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000823972652 607735643 /nfs/dbraw/zinc/73/56/43/607735643.db2.gz DTNZDHDRLXNXQS-BMIGLBTASA-N -1 3 396.411 1.992 20 5 GDBDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000834162266 605359587 /nfs/dbraw/zinc/35/95/87/605359587.db2.gz SOURTKQLGKGEAE-DKUMPPAJSA-N -1 3 379.413 1.988 20 5 GDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826424451 607770700 /nfs/dbraw/zinc/77/07/00/607770700.db2.gz MSGJQJLMSDLJGF-UHFFFAOYSA-N -1 3 397.380 1.734 20 5 GDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826424451 607770701 /nfs/dbraw/zinc/77/07/01/607770701.db2.gz MSGJQJLMSDLJGF-UHFFFAOYSA-N -1 3 397.380 1.734 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N(CCO)Cc3cccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645933 606126748 /nfs/dbraw/zinc/12/67/48/606126748.db2.gz WTDSHYAPNPHVJX-UHFFFAOYSA-N -1 3 392.379 1.717 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N(CCO)Cc3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645933 606126749 /nfs/dbraw/zinc/12/67/49/606126749.db2.gz WTDSHYAPNPHVJX-UHFFFAOYSA-N -1 3 392.379 1.717 20 5 GDBDHM COc1ccc(OCCOC(=O)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821845369 606140233 /nfs/dbraw/zinc/14/02/33/606140233.db2.gz FEBGLVFTUQXHFY-UHFFFAOYSA-N -1 3 399.363 1.948 20 5 GDBDHM COc1ccc(OCCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821845369 606140235 /nfs/dbraw/zinc/14/02/35/606140235.db2.gz FEBGLVFTUQXHFY-UHFFFAOYSA-N -1 3 399.363 1.948 20 5 GDBDHM CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821589609 606333316 /nfs/dbraw/zinc/33/33/16/606333316.db2.gz VRGKWSZPTBSANI-UHFFFAOYSA-N -1 3 390.381 1.609 20 5 GDBDHM CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821589609 606333317 /nfs/dbraw/zinc/33/33/17/606333317.db2.gz VRGKWSZPTBSANI-UHFFFAOYSA-N -1 3 390.381 1.609 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000822665284 606388031 /nfs/dbraw/zinc/38/80/31/606388031.db2.gz MNOPTTDHJREPBG-UHFFFAOYSA-N -1 3 396.323 1.520 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000822665284 606388032 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383.368 1.713 20 5 GDBDHM O=C(NCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000823191427 606645934 /nfs/dbraw/zinc/64/59/34/606645934.db2.gz MNEXLLDIFRNHNA-UHFFFAOYSA-N -1 3 383.368 1.713 20 5 GDBDHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000820804140 606775644 /nfs/dbraw/zinc/77/56/44/606775644.db2.gz NCLOSRGYFIPJLP-LBPRGKRZSA-N -1 3 381.400 1.276 20 5 GDBDHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000820804140 606775645 /nfs/dbraw/zinc/77/56/45/606775645.db2.gz NCLOSRGYFIPJLP-LBPRGKRZSA-N -1 3 381.400 1.276 20 5 GDBDHM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000823118960 606808309 /nfs/dbraw/zinc/80/83/09/606808309.db2.gz XIHCQAJBKALUKY-UHFFFAOYSA-N -1 3 381.308 1.322 20 5 GDBDHM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-c1nn[n-]n1 ZINC000823118960 606808310 /nfs/dbraw/zinc/80/83/10/606808310.db2.gz XIHCQAJBKALUKY-UHFFFAOYSA-N -1 3 381.308 1.322 20 5 GDBDHM 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382.384 1.283 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ncn1 ZINC000736886799 598502050 /nfs/dbraw/zinc/50/20/50/598502050.db2.gz LNQZYWLCQISWEF-JTQLQIEISA-N -1 3 397.403 1.083 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ncn1 ZINC000736886799 598502052 /nfs/dbraw/zinc/50/20/52/598502052.db2.gz LNQZYWLCQISWEF-JTQLQIEISA-N -1 3 397.403 1.083 20 5 GDBDHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737915924 598550753 /nfs/dbraw/zinc/55/07/53/598550753.db2.gz KCNPRAAZFVWSQR-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737915924 598550755 /nfs/dbraw/zinc/55/07/55/598550755.db2.gz KCNPRAAZFVWSQR-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737904503 598584145 /nfs/dbraw/zinc/58/41/45/598584145.db2.gz NRRWBIAZLHYTAS-UHFFFAOYSA-N -1 3 386.299 1.710 20 5 GDBDHM 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ZINC000737862261 598807028 /nfs/dbraw/zinc/80/70/28/598807028.db2.gz LNCGUFJWFFSESE-UHFFFAOYSA-N -1 3 394.355 1.186 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nnnn1C[C@H]1CCCO1 ZINC000823634179 599333880 /nfs/dbraw/zinc/33/38/80/599333880.db2.gz BTZTVYATGGQBQO-SECBINFHSA-N -1 3 375.374 1.092 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1nnnn1C[C@H]1CCCO1 ZINC000823634179 599333882 /nfs/dbraw/zinc/33/38/82/599333882.db2.gz BTZTVYATGGQBQO-SECBINFHSA-N -1 3 375.374 1.092 20 5 GDBDHM COc1ccc(CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826190667 607370251 /nfs/dbraw/zinc/37/02/51/607370251.db2.gz IVEUPDARWDQFDN-UHFFFAOYSA-N -1 3 397.347 1.752 20 5 GDBDHM COc1ccc(CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826190667 607370252 /nfs/dbraw/zinc/37/02/52/607370252.db2.gz IVEUPDARWDQFDN-UHFFFAOYSA-N -1 3 397.347 1.752 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823647890 599364017 /nfs/dbraw/zinc/36/40/17/599364017.db2.gz PMGLKODLMFEKNT-UHFFFAOYSA-N -1 3 392.372 1.435 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823647890 599364019 /nfs/dbraw/zinc/36/40/19/599364019.db2.gz PMGLKODLMFEKNT-UHFFFAOYSA-N -1 3 392.372 1.435 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823634441 607382490 /nfs/dbraw/zinc/38/24/90/607382490.db2.gz FPMGZDMOHGUJOP-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823634441 607382492 /nfs/dbraw/zinc/38/24/92/607382492.db2.gz FPMGZDMOHGUJOP-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820328097 599539232 /nfs/dbraw/zinc/53/92/32/599539232.db2.gz MFYILVNQRKHZEF-NSHDSACASA-N -1 3 396.363 1.844 20 5 GDBDHM C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820328097 599539236 /nfs/dbraw/zinc/53/92/36/599539236.db2.gz MFYILVNQRKHZEF-NSHDSACASA-N -1 3 396.363 1.844 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823635447 607383178 /nfs/dbraw/zinc/38/31/78/607383178.db2.gz WNYMGICADCDCSA-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823635447 607383179 /nfs/dbraw/zinc/38/31/79/607383179.db2.gz WNYMGICADCDCSA-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823224207 599613763 /nfs/dbraw/zinc/61/37/63/599613763.db2.gz UFCSYMBWJRPFCP-UHFFFAOYSA-N -1 3 381.352 1.072 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823224207 599613764 /nfs/dbraw/zinc/61/37/64/599613764.db2.gz UFCSYMBWJRPFCP-UHFFFAOYSA-N -1 3 381.352 1.072 20 5 GDBDHM CN(Cc1cn(C)nc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825991494 607540562 /nfs/dbraw/zinc/54/05/62/607540562.db2.gz BYMCEQMXKRHKAD-UHFFFAOYSA-N -1 3 383.294 1.559 20 5 GDBDHM CN(Cc1cn(C)nc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825991494 607540564 /nfs/dbraw/zinc/54/05/64/607540564.db2.gz BYMCEQMXKRHKAD-UHFFFAOYSA-N -1 3 383.294 1.559 20 5 GDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826424232 607563043 /nfs/dbraw/zinc/56/30/43/607563043.db2.gz BRTSFCMVZKFQSD-UHFFFAOYSA-N -1 3 393.707 1.172 20 5 GDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826424232 607563044 /nfs/dbraw/zinc/56/30/44/607563044.db2.gz BRTSFCMVZKFQSD-UHFFFAOYSA-N -1 3 393.707 1.172 20 5 GDBDHM C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739181487 602783567 /nfs/dbraw/zinc/78/35/67/602783567.db2.gz JUICIVHOJQMBLF-WCQYABFASA-N -1 3 378.385 1.871 20 5 GDBDHM NC(=O)C1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000822850184 606125404 /nfs/dbraw/zinc/12/54/04/606125404.db2.gz AJICMJMBEDDNTQ-UHFFFAOYSA-N -1 3 382.384 1.781 20 5 GDBDHM NC(=O)C1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000822850184 606125406 /nfs/dbraw/zinc/12/54/06/606125406.db2.gz AJICMJMBEDDNTQ-UHFFFAOYSA-N -1 3 382.384 1.781 20 5 GDBDHM CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000821933225 606177300 /nfs/dbraw/zinc/17/73/00/606177300.db2.gz XZPOCRNQDQZGBD-UHFFFAOYSA-N -1 3 392.372 1.880 20 5 GDBDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823022943 606229449 /nfs/dbraw/zinc/22/94/49/606229449.db2.gz RKSMDMXCMBXZQJ-UHFFFAOYSA-N -1 3 375.276 1.038 20 5 GDBDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823022943 606229451 /nfs/dbraw/zinc/22/94/51/606229451.db2.gz RKSMDMXCMBXZQJ-UHFFFAOYSA-N -1 3 375.276 1.038 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821846483 606336583 /nfs/dbraw/zinc/33/65/83/606336583.db2.gz SLXIPJZXYZFOIE-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821846483 606336585 /nfs/dbraw/zinc/33/65/85/606336585.db2.gz SLXIPJZXYZFOIE-UHFFFAOYSA-N 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Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229145 606459188 /nfs/dbraw/zinc/45/91/88/606459188.db2.gz NUPUAQSEVLBDAO-LLVKDONJSA-N -1 3 395.379 1.899 20 5 GDBDHM CSC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821956112 606467469 /nfs/dbraw/zinc/46/74/69/606467469.db2.gz HJOZEPNBVPCZFL-HNNXBMFYSA-N -1 3 375.414 1.849 20 5 GDBDHM CSC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821956112 606467471 /nfs/dbraw/zinc/46/74/71/606467471.db2.gz HJOZEPNBVPCZFL-HNNXBMFYSA-N -1 3 375.414 1.849 20 5 GDBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000821308505 606599482 /nfs/dbraw/zinc/59/94/82/606599482.db2.gz BZTHPVRCULEVIL-UHFFFAOYSA-N -1 3 382.384 1.918 20 5 GDBDHM CN(C)C(=O)COc1cccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000821577862 606645409 /nfs/dbraw/zinc/64/54/09/606645409.db2.gz ADJBZUYORSDQLD-UHFFFAOYSA-N -1 3 397.395 1.854 20 5 GDBDHM 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NS(=O)(=O)c1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822899001 607040574 /nfs/dbraw/zinc/04/05/74/607040574.db2.gz DMMBNYNNNYKNBT-UHFFFAOYSA-N -1 3 394.344 1.140 20 5 GDBDHM COCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821685814 607129917 /nfs/dbraw/zinc/12/99/17/607129917.db2.gz QXJIQTJDWIMARL-UHFFFAOYSA-N -1 3 375.389 1.214 20 5 GDBDHM COCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821685814 607129918 /nfs/dbraw/zinc/12/99/18/607129918.db2.gz QXJIQTJDWIMARL-UHFFFAOYSA-N -1 3 375.389 1.214 20 5 GDBDHM Cc1cccc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000822304177 607163351 /nfs/dbraw/zinc/16/33/51/607163351.db2.gz RNUWWEBNMXGPPJ-UHFFFAOYSA-N -1 3 380.412 1.801 20 5 GDBDHM Cc1cccc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822304177 607163352 /nfs/dbraw/zinc/16/33/52/607163352.db2.gz RNUWWEBNMXGPPJ-UHFFFAOYSA-N -1 3 380.412 1.801 20 5 GDBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821104389 607173692 /nfs/dbraw/zinc/17/36/92/607173692.db2.gz BDWLPIWYNZZHEH-UHFFFAOYSA-N -1 3 399.415 1.593 20 5 GDBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821104389 607173693 /nfs/dbraw/zinc/17/36/93/607173693.db2.gz BDWLPIWYNZZHEH-UHFFFAOYSA-N -1 3 399.415 1.593 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])n1 ZINC000825804718 607851673 /nfs/dbraw/zinc/85/16/73/607851673.db2.gz FBZPUQGPKMMKDT-UHFFFAOYSA-N -1 3 379.358 1.067 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])n1 ZINC000825804718 607851674 /nfs/dbraw/zinc/85/16/74/607851674.db2.gz FBZPUQGPKMMKDT-UHFFFAOYSA-N -1 3 379.358 1.067 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccccc1F ZINC000826497275 607869516 /nfs/dbraw/zinc/86/95/16/607869516.db2.gz AMIMDHGHNKZTCZ-NSHDSACASA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccccc1F ZINC000826497275 607869517 /nfs/dbraw/zinc/86/95/17/607869517.db2.gz AMIMDHGHNKZTCZ-NSHDSACASA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1ccc(F)cc1 ZINC000826497749 607869519 /nfs/dbraw/zinc/86/95/19/607869519.db2.gz SSJHCQMGGNYGFJ-GFCCVEGCSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccc(F)cc1 ZINC000826497749 607869520 /nfs/dbraw/zinc/86/95/20/607869520.db2.gz SSJHCQMGGNYGFJ-GFCCVEGCSA-N -1 3 375.316 1.733 20 5 GDBDHM CC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973908 608162289 /nfs/dbraw/zinc/16/22/89/608162289.db2.gz MGSFGGYJPAYQQN-VIFPVBQESA-N -1 3 393.791 1.625 20 5 GDBDHM CC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973908 608162291 /nfs/dbraw/zinc/16/22/91/608162291.db2.gz MGSFGGYJPAYQQN-VIFPVBQESA-N -1 3 393.791 1.625 20 5 GDBDHM CC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823981365 608162511 /nfs/dbraw/zinc/16/25/11/608162511.db2.gz NCQMJRWFTDEBBF-JTQLQIEISA-N -1 3 379.764 1.378 20 5 GDBDHM CC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823981365 608162512 /nfs/dbraw/zinc/16/25/12/608162512.db2.gz NCQMJRWFTDEBBF-JTQLQIEISA-N -1 3 379.764 1.378 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000826173722 608264454 /nfs/dbraw/zinc/26/44/54/608264454.db2.gz RHHCDDBCKSHBSY-UHFFFAOYSA-N -1 3 395.335 1.649 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000826173722 608264455 /nfs/dbraw/zinc/26/44/55/608264455.db2.gz RHHCDDBCKSHBSY-UHFFFAOYSA-N -1 3 395.335 1.649 20 5 GDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781967538 609375226 /nfs/dbraw/zinc/37/52/26/609375226.db2.gz JSHOUYLTBQQVCF-INIZCTEOSA-N -1 3 393.363 1.584 20 5 GDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781967538 609375229 /nfs/dbraw/zinc/37/52/29/609375229.db2.gz JSHOUYLTBQQVCF-INIZCTEOSA-N -1 3 393.363 1.584 20 5 GDBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000826500637 609493384 /nfs/dbraw/zinc/49/33/84/609493384.db2.gz GFVMNCOCQLSXSW-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000826500637 609493387 /nfs/dbraw/zinc/49/33/87/609493387.db2.gz GFVMNCOCQLSXSW-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM COc1cc(COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826179734 609630251 /nfs/dbraw/zinc/63/02/51/609630251.db2.gz BTDWQOLLIZUMFF-HNNXBMFYSA-N -1 3 385.336 1.560 20 5 GDBDHM COc1cc(COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179734 609630253 /nfs/dbraw/zinc/63/02/53/609630253.db2.gz BTDWQOLLIZUMFF-HNNXBMFYSA-N -1 3 385.336 1.560 20 5 GDBDHM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000554150124 650669737 /nfs/dbraw/zinc/66/97/37/650669737.db2.gz FGVVCUYCJJMVLT-UHFFFAOYSA-N -1 3 384.435 1.867 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CNCCC1(F)F 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IMWPPQUXYUWQBC-GFCCVEGCSA-N -1 3 377.850 1.637 20 5 GDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])s1 ZINC000515726582 648506006 /nfs/dbraw/zinc/50/60/06/648506006.db2.gz DMGWSVPEOYXVRM-UHFFFAOYSA-N -1 3 385.423 1.833 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000589922702 652119896 /nfs/dbraw/zinc/11/98/96/652119896.db2.gz NABHDNVTOJGSNG-QPUJVOFHSA-N -1 3 384.332 1.728 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589923228 652120384 /nfs/dbraw/zinc/12/03/84/652120384.db2.gz UMQKSOXOKIDZAF-PRHODGIISA-N -1 3 384.332 1.728 20 5 GDBDHM COC1CCN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000594694625 652347543 /nfs/dbraw/zinc/34/75/43/652347543.db2.gz NCHJIGJTPQRADX-UHFFFAOYSA-N -1 3 381.357 1.964 20 5 GDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000594759037 652357288 /nfs/dbraw/zinc/35/72/88/652357288.db2.gz MAEVTBQCGNWSSP-LLVKDONJSA-N -1 3 379.316 1.735 20 5 GDBDHM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595349754 652410499 /nfs/dbraw/zinc/41/04/99/652410499.db2.gz DZSYZDCAEOQXBQ-JTQLQIEISA-N -1 3 392.231 1.160 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(N3CCCC3)CCOCC2)s1 ZINC000609199115 652838217 /nfs/dbraw/zinc/83/82/17/652838217.db2.gz ZTHPHLNFQKEGFK-UHFFFAOYSA-N -1 3 375.472 1.580 20 5 GDBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC ZINC000742286820 654700154 /nfs/dbraw/zinc/70/01/54/654700154.db2.gz MOJJAXMCMPYDNA-GFCCVEGCSA-N -1 3 395.231 1.977 20 5 GDBDHM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788711996 655004680 /nfs/dbraw/zinc/00/46/80/655004680.db2.gz SEIWZSKQRBWRGK-PELKAZGASA-N -1 3 395.231 1.176 20 5 GDBDHM CCS(=O)(=O)c1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000760364504 655110057 /nfs/dbraw/zinc/11/00/57/655110057.db2.gz CADGFUWFHQTNNQ-UHFFFAOYSA-N -1 3 386.411 1.089 20 5 GDBDHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000799828007 655303537 /nfs/dbraw/zinc/30/35/37/655303537.db2.gz REXKPQDZVRFNPC-HXUWFJFHSA-N -1 3 397.272 1.547 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1 ZINC000845986927 655442082 /nfs/dbraw/zinc/44/20/82/655442082.db2.gz QMXDLQVKZUKXIK-LBPRGKRZSA-N -1 3 395.231 1.177 20 5 GDBDHM C[C@@H]1CC[C@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CS1(=O)=O ZINC000853841138 655651568 /nfs/dbraw/zinc/65/15/68/655651568.db2.gz DSOAIXGVJCQTAJ-ZJUUUORDSA-N -1 3 378.353 1.648 20 5 GDBDHM CCn1nncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859248366 655771749 /nfs/dbraw/zinc/77/17/49/655771749.db2.gz QRQPEKFGQMQBEN-UHFFFAOYSA-N -1 3 390.219 1.447 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826212666 947622158 /nfs/dbraw/zinc/62/21/58/947622158.db2.gz XJRCSQOTBDNSOZ-UHFFFAOYSA-N -1 3 391.365 1.692 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826212666 947622162 /nfs/dbraw/zinc/62/21/62/947622162.db2.gz XJRCSQOTBDNSOZ-UHFFFAOYSA-N -1 3 391.365 1.692 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826253045 947729771 /nfs/dbraw/zinc/72/97/71/947729771.db2.gz DJGLBRAYIVYICK-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826253045 947729778 /nfs/dbraw/zinc/72/97/78/947729778.db2.gz DJGLBRAYIVYICK-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM CC(F)(F)CC(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575229254 948839918 /nfs/dbraw/zinc/83/99/18/948839918.db2.gz DWSWEGJIFUGDKC-NSCUHMNNSA-N -1 3 381.343 1.905 20 5 GDBDHM CC(F)(F)CC(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575229254 948839933 /nfs/dbraw/zinc/83/99/33/948839933.db2.gz DWSWEGJIFUGDKC-NSCUHMNNSA-N -1 3 381.343 1.905 20 5 GDBDHM CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H](C(=O)[O-])C1 ZINC001598623977 994056259 /nfs/dbraw/zinc/05/62/59/994056259.db2.gz ACGRSCQGQZSUGH-LBPRGKRZSA-N -1 3 382.392 1.023 20 5 GDBDHM C[C@@](NCCn1cnc(Br)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285454 994636550 /nfs/dbraw/zinc/63/65/50/994636550.db2.gz GCAPBONSDNVVDV-ZDUSSCGKSA-N -1 3 384.190 1.538 20 5 GDBDHM CC1CCN(C[C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000161668813 530563196 /nfs/dbraw/zinc/56/31/96/530563196.db2.gz NWAXWKRXEJHKFQ-ZDUSSCGKSA-N -1 3 391.877 1.619 20 5 GDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000160410805 530551511 /nfs/dbraw/zinc/55/15/11/530551511.db2.gz RLDSGJCHWNFKIY-LLVKDONJSA-N -1 3 377.850 1.495 20 5 GDBDHM O=C(CCc1cccs1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000172240256 530610557 /nfs/dbraw/zinc/61/05/57/530610557.db2.gz XTRXLJWNDPFEFR-UHFFFAOYSA-N -1 3 383.451 1.684 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)s1 ZINC000055973284 530713826 /nfs/dbraw/zinc/71/38/26/530713826.db2.gz WXAGPXMJDDOXLC-UHFFFAOYSA-N -1 3 391.452 1.091 20 5 GDBDHM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000178294441 530719003 /nfs/dbraw/zinc/71/90/03/530719003.db2.gz RICDQIIYKGLMGZ-SNVBAGLBSA-N -1 3 392.231 1.304 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCCC2)ccc1Br ZINC000178567341 530723456 /nfs/dbraw/zinc/72/34/56/530723456.db2.gz LPTYZTVFDXZBSH-UHFFFAOYSA-N -1 3 379.232 1.941 20 5 GDBDHM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066579625 530764173 /nfs/dbraw/zinc/76/41/73/530764173.db2.gz YUUUWWMWLGYOMU-QMMMGPOBSA-N -1 3 390.219 1.316 20 5 GDBDHM C[C@H](CCN1CCN(C)CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185337580 530841195 /nfs/dbraw/zinc/84/11/95/530841195.db2.gz RVQIKRHSGUQWBF-GFCCVEGCSA-N -1 3 390.893 1.553 20 5 GDBDHM CCN1CCN([C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189120237 530908549 /nfs/dbraw/zinc/90/85/49/530908549.db2.gz DAZWECGGIUSHBK-GFCCVEGCSA-N -1 3 390.893 1.553 20 5 GDBDHM CCc1n[nH]c(=O)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1CC ZINC000125592595 531008254 /nfs/dbraw/zinc/00/82/54/531008254.db2.gz NHGSGESSOQMRCV-UHFFFAOYSA-N -1 3 386.455 1.651 20 5 GDBDHM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000195478757 531024459 /nfs/dbraw/zinc/02/44/59/531024459.db2.gz CWYBOBSYTPZGKH-HQJQHLMTSA-N -1 3 392.231 1.160 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1n[nH]cc1Br ZINC000521064130 531239608 /nfs/dbraw/zinc/23/96/08/531239608.db2.gz ZAMZPHJAUDULEG-UHFFFAOYSA-N -1 3 375.204 1.867 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)CN2CCCCC2)cc1Cl ZINC000290641203 531246207 /nfs/dbraw/zinc/24/62/07/531246207.db2.gz DJURXOCUNRPLCZ-SNVBAGLBSA-N -1 3 395.840 1.512 20 5 GDBDHM CCc1ncc(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000523889909 531270607 /nfs/dbraw/zinc/27/06/07/531270607.db2.gz GFWDYOQVJPBSFH-UHFFFAOYSA-N -1 3 384.439 1.322 20 5 GDBDHM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1(C)C ZINC000474388078 531274726 /nfs/dbraw/zinc/27/47/26/531274726.db2.gz DQWMQVGKGNWQMF-FZMZJTMJSA-N -1 3 378.472 1.809 20 5 GDBDHM 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ZINC000493853238 531580160 /nfs/dbraw/zinc/58/01/60/531580160.db2.gz YXOXRVQGQRKNBH-NSHDSACASA-N -1 3 376.387 1.816 20 5 GDBDHM CC(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416372013 531582649 /nfs/dbraw/zinc/58/26/49/531582649.db2.gz NAXMTSQAMCPGLL-UHFFFAOYSA-N -1 3 383.348 1.664 20 5 GDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559560627 531603823 /nfs/dbraw/zinc/60/38/23/531603823.db2.gz CAVMDNWCNZXMAY-JTQLQIEISA-N -1 3 383.202 1.908 20 5 GDBDHM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416481743 531639559 /nfs/dbraw/zinc/63/95/59/531639559.db2.gz CIQYIGUICGFSHV-JTQLQIEISA-N -1 3 386.348 1.943 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c(Cl)c1 ZINC000451653278 531654872 /nfs/dbraw/zinc/65/48/72/531654872.db2.gz AIPQGRSWJSPHNR-LBPRGKRZSA-N -1 3 377.850 1.373 20 5 GDBDHM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451962116 531729313 /nfs/dbraw/zinc/72/93/13/531729313.db2.gz YJUOJWJDMZTVQE-ZETCQYMHSA-N -1 3 380.220 1.160 20 5 GDBDHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1 ZINC000591332385 531716571 /nfs/dbraw/zinc/71/65/71/531716571.db2.gz NQDPVMDSVUMJLG-SECBINFHSA-N -1 3 392.231 1.304 20 5 GDBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000269756014 531742097 /nfs/dbraw/zinc/74/20/97/531742097.db2.gz IPQDUYUVEBRVTQ-NSHDSACASA-N -1 3 399.288 1.750 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000507909241 531753070 /nfs/dbraw/zinc/75/30/70/531753070.db2.gz QFLGKYDKHUXNLP-UHFFFAOYSA-N -1 3 392.455 1.097 20 5 GDBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)OC ZINC000592079241 531757261 /nfs/dbraw/zinc/75/72/61/531757261.db2.gz VLBHUQNOOKGVEX-QMMMGPOBSA-N -1 3 395.231 1.835 20 5 GDBDHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452022605 531751213 /nfs/dbraw/zinc/75/12/13/531751213.db2.gz URCDCHNKHYAPRQ-QMMMGPOBSA-N -1 3 395.231 1.976 20 5 GDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000594765439 531856115 /nfs/dbraw/zinc/85/61/15/531856115.db2.gz NNEKZZAMCATXHO-MRVPVSSYSA-N -1 3 379.316 1.735 20 5 GDBDHM COC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000271211324 531981600 /nfs/dbraw/zinc/98/16/00/531981600.db2.gz LWEHXDYELXJWRN-QMMMGPOBSA-N -1 3 383.220 1.033 20 5 GDBDHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271705790 532043615 /nfs/dbraw/zinc/04/36/15/532043615.db2.gz OMAYEZGISUGDMN-HQJQHLMTSA-N -1 3 399.288 1.748 20 5 GDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000273440456 532149907 /nfs/dbraw/zinc/14/99/07/532149907.db2.gz BRDVKZDXDCHNKP-JTQLQIEISA-N -1 3 392.480 1.508 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCN(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000287345743 532210598 /nfs/dbraw/zinc/21/05/98/532210598.db2.gz HEXIWRXRNPBROX-SNVBAGLBSA-N -1 3 390.849 1.626 20 5 GDBDHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000287486131 532217495 /nfs/dbraw/zinc/21/74/95/532217495.db2.gz QSPDNSQGYXKRAI-QMMMGPOBSA-N -1 3 385.167 1.147 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000289470822 532325458 /nfs/dbraw/zinc/32/54/58/532325458.db2.gz HXWYODZPMZLUBV-CQSZACIVSA-N -1 3 376.406 1.818 20 5 GDBDHM CC(C)(C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000735575023 598844467 /nfs/dbraw/zinc/84/44/67/598844467.db2.gz NOFGDXHYFDHCHO-UHFFFAOYSA-N -1 3 396.411 1.676 20 5 GDBDHM CC(C)(C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000735575023 598844469 /nfs/dbraw/zinc/84/44/69/598844469.db2.gz NOFGDXHYFDHCHO-UHFFFAOYSA-N -1 3 396.411 1.676 20 5 GDBDHM COC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899120 598881602 /nfs/dbraw/zinc/88/16/02/598881602.db2.gz XROFYNRMMIDPTM-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM COC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899120 598881603 /nfs/dbraw/zinc/88/16/03/598881603.db2.gz XROFYNRMMIDPTM-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000737771114 598892218 /nfs/dbraw/zinc/89/22/18/598892218.db2.gz PYCKADQBPAXAMI-UHFFFAOYSA-N -1 3 379.134 1.005 20 5 GDBDHM CC(C)(C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccc([N+](=O)[O-])cc1 ZINC000735583349 598909134 /nfs/dbraw/zinc/90/91/34/598909134.db2.gz WKVWPGQUUPDYLW-UHFFFAOYSA-N -1 3 386.372 1.075 20 5 GDBDHM CC(C)(C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccc([N+](=O)[O-])cc1 ZINC000735583349 598909136 /nfs/dbraw/zinc/90/91/36/598909136.db2.gz WKVWPGQUUPDYLW-UHFFFAOYSA-N -1 3 386.372 1.075 20 5 GDBDHM C[C@](O)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144043 598915585 /nfs/dbraw/zinc/91/55/85/598915585.db2.gz XQTXJHAQKNANHQ-HNNXBMFYSA-N -1 3 377.311 1.768 20 5 GDBDHM C[C@](O)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144043 598915587 /nfs/dbraw/zinc/91/55/87/598915587.db2.gz XQTXJHAQKNANHQ-HNNXBMFYSA-N -1 3 377.311 1.768 20 5 GDBDHM COc1ccccc1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737151089 599042140 /nfs/dbraw/zinc/04/21/40/599042140.db2.gz CMLUNIANYUTPMV-UHFFFAOYSA-N -1 3 390.381 1.609 20 5 GDBDHM COc1ccccc1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737151089 599042141 /nfs/dbraw/zinc/04/21/41/599042141.db2.gz CMLUNIANYUTPMV-UHFFFAOYSA-N -1 3 390.381 1.609 20 5 GDBDHM O=c1[nH]cnc2cc(NCCOc3ccc(-c4nn[n-]n4)cc3)c([N+](=O)[O-])cc21 ZINC000823657592 599049429 /nfs/dbraw/zinc/04/94/29/599049429.db2.gz SBGRRAYCZRRPQW-UHFFFAOYSA-N -1 3 394.351 1.915 20 5 GDBDHM COC(=O)COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736931136 599058323 /nfs/dbraw/zinc/05/83/23/599058323.db2.gz MYPILXAJETWPSU-UHFFFAOYSA-N -1 3 385.340 1.334 20 5 GDBDHM COC(=O)COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736931136 599058324 /nfs/dbraw/zinc/05/83/24/599058324.db2.gz MYPILXAJETWPSU-UHFFFAOYSA-N -1 3 385.340 1.334 20 5 GDBDHM NC(=O)C1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737738359 599061218 /nfs/dbraw/zinc/06/12/18/599061218.db2.gz IHQLJHYFLLAGGY-UHFFFAOYSA-N -1 3 394.395 1.193 20 5 GDBDHM NC(=O)C1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737738359 599061221 /nfs/dbraw/zinc/06/12/21/599061221.db2.gz IHQLJHYFLLAGGY-UHFFFAOYSA-N -1 3 394.395 1.193 20 5 GDBDHM NC(=O)C1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737738255 599061842 /nfs/dbraw/zinc/06/18/42/599061842.db2.gz GXDFTEJCUDHRJT-UHFFFAOYSA-N -1 3 393.407 1.798 20 5 GDBDHM NC(=O)C1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737738255 599061845 /nfs/dbraw/zinc/06/18/45/599061845.db2.gz GXDFTEJCUDHRJT-UHFFFAOYSA-N -1 3 393.407 1.798 20 5 GDBDHM CCO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821347489 599072246 /nfs/dbraw/zinc/07/22/46/599072246.db2.gz VTRHXAASPMLPGR-QMMMGPOBSA-N -1 3 375.349 1.287 20 5 GDBDHM CCO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821347489 599072247 /nfs/dbraw/zinc/07/22/47/599072247.db2.gz VTRHXAASPMLPGR-QMMMGPOBSA-N -1 3 375.349 1.287 20 5 GDBDHM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000820677236 599092624 /nfs/dbraw/zinc/09/26/24/599092624.db2.gz QBDOHXCHBZBMEH-FTGAXOIBSA-N -1 3 394.395 1.744 20 5 GDBDHM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000820677236 599092627 /nfs/dbraw/zinc/09/26/27/599092627.db2.gz QBDOHXCHBZBMEH-FTGAXOIBSA-N -1 3 394.395 1.744 20 5 GDBDHM NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737619 599121452 /nfs/dbraw/zinc/12/14/52/599121452.db2.gz BDBPMYDZKSQSLR-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737619 599121454 /nfs/dbraw/zinc/12/14/54/599121454.db2.gz BDBPMYDZKSQSLR-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823136287 599162580 /nfs/dbraw/zinc/16/25/80/599162580.db2.gz TVOQEIQHWTZPTF-UHFFFAOYSA-N -1 3 396.342 1.580 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823136287 599162581 /nfs/dbraw/zinc/16/25/81/599162581.db2.gz TVOQEIQHWTZPTF-UHFFFAOYSA-N -1 3 396.342 1.580 20 5 GDBDHM Cc1nn(CCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1[N+](=O)[O-] ZINC000822500806 599167453 /nfs/dbraw/zinc/16/74/53/599167453.db2.gz HVMNWHPPJAKPBS-UHFFFAOYSA-N -1 3 388.363 1.434 20 5 GDBDHM Cc1nn(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1[N+](=O)[O-] ZINC000822500806 599167456 /nfs/dbraw/zinc/16/74/56/599167456.db2.gz HVMNWHPPJAKPBS-UHFFFAOYSA-N -1 3 388.363 1.434 20 5 GDBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823238878 599175832 /nfs/dbraw/zinc/17/58/32/599175832.db2.gz SSGKMFWPNYGURC-UHFFFAOYSA-N -1 3 387.287 1.752 20 5 GDBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823238878 599175835 /nfs/dbraw/zinc/17/58/35/599175835.db2.gz SSGKMFWPNYGURC-UHFFFAOYSA-N -1 3 387.287 1.752 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccccc1-c1nnn[n-]1 ZINC000823657031 607304971 /nfs/dbraw/zinc/30/49/71/607304971.db2.gz MFSRHKRVFMHPEC-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccccc1-c1nn[n-]n1 ZINC000823657031 607304972 /nfs/dbraw/zinc/30/49/72/607304972.db2.gz MFSRHKRVFMHPEC-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCS(=O)(=O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367597 599268265 /nfs/dbraw/zinc/26/82/65/599268265.db2.gz WFRRZXLBFZXLDH-SECBINFHSA-N -1 3 389.397 1.170 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCS(=O)(=O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367597 599268267 /nfs/dbraw/zinc/26/82/67/599268267.db2.gz WFRRZXLBFZXLDH-SECBINFHSA-N -1 3 389.397 1.170 20 5 GDBDHM CC(C)(C(=O)OCCOc1ccccc1-c1nnn[n-]1)n1cc([N+](=O)[O-])cn1 ZINC000735583017 598358630 /nfs/dbraw/zinc/35/86/30/598358630.db2.gz SJRFRLYGXGLMSS-UHFFFAOYSA-N -1 3 387.356 1.329 20 5 GDBDHM CC(C)(C(=O)OCCOc1ccccc1-c1nn[n-]n1)n1cc([N+](=O)[O-])cn1 ZINC000735583017 598358632 /nfs/dbraw/zinc/35/86/32/598358632.db2.gz SJRFRLYGXGLMSS-UHFFFAOYSA-N -1 3 387.356 1.329 20 5 GDBDHM O=C(NCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738077915 598497959 /nfs/dbraw/zinc/49/79/59/598497959.db2.gz JKJRLHHUVJUOBS-UHFFFAOYSA-N -1 3 388.775 1.665 20 5 GDBDHM O=C(NCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738077915 598497961 /nfs/dbraw/zinc/49/79/61/598497961.db2.gz JKJRLHHUVJUOBS-UHFFFAOYSA-N -1 3 388.775 1.665 20 5 GDBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cn2)C[C@H](C)O1 ZINC000736294294 598499027 /nfs/dbraw/zinc/49/90/27/598499027.db2.gz QRLSJGIGNLYJMV-PHIMTYICSA-N -1 3 397.399 1.922 20 5 GDBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cn2)C[C@H](C)O1 ZINC000736294294 598499028 /nfs/dbraw/zinc/49/90/28/598499028.db2.gz QRLSJGIGNLYJMV-PHIMTYICSA-N -1 3 397.399 1.922 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(Cc3cccc(O)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368034 598501124 /nfs/dbraw/zinc/50/11/24/598501124.db2.gz CBIAYOKTKPQQTB-UHFFFAOYSA-N -1 3 382.384 1.198 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(Cc3cccc(O)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368034 598501126 /nfs/dbraw/zinc/50/11/26/598501126.db2.gz CBIAYOKTKPQQTB-UHFFFAOYSA-N -1 3 382.384 1.198 20 5 GDBDHM COc1cc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737050212 598583404 /nfs/dbraw/zinc/58/34/04/598583404.db2.gz BONFQZICYREDET-UHFFFAOYSA-N -1 3 388.315 1.940 20 5 GDBDHM COc1cc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737050212 598583405 /nfs/dbraw/zinc/58/34/05/598583405.db2.gz BONFQZICYREDET-UHFFFAOYSA-N -1 3 388.315 1.940 20 5 GDBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826418364 607364696 /nfs/dbraw/zinc/36/46/96/607364696.db2.gz CKQAFFIKFBYDQJ-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826418364 607364698 /nfs/dbraw/zinc/36/46/98/607364698.db2.gz CKQAFFIKFBYDQJ-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738368381 598687510 /nfs/dbraw/zinc/68/75/10/598687510.db2.gz CTFKUUNKOVQVFT-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000737365557 598689213 /nfs/dbraw/zinc/68/92/13/598689213.db2.gz IMJDHASJRYYTMP-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736130809 598691244 /nfs/dbraw/zinc/69/12/44/598691244.db2.gz NUSRPDBAYUSICB-SECBINFHSA-N -1 3 392.372 1.954 20 5 GDBDHM COc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737072911 598737051 /nfs/dbraw/zinc/73/70/51/598737051.db2.gz WXKSXNIQKZVKKU-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM COc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737072911 598737052 /nfs/dbraw/zinc/73/70/52/598737052.db2.gz WXKSXNIQKZVKKU-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM CCc1cc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)ncn1 ZINC000736675332 598785468 /nfs/dbraw/zinc/78/54/68/598785468.db2.gz JFAGUNDFLMSZRA-GFCCVEGCSA-N -1 3 396.415 1.603 20 5 GDBDHM CCc1cc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)ncn1 ZINC000736675332 598785470 /nfs/dbraw/zinc/78/54/70/598785470.db2.gz JFAGUNDFLMSZRA-GFCCVEGCSA-N -1 3 396.415 1.603 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737610664 598806418 /nfs/dbraw/zinc/80/64/18/598806418.db2.gz PXIPBKMYTMLVLZ-UHFFFAOYSA-N -1 3 379.340 1.551 20 5 GDBDHM COc1cc(OC)cc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737053018 599305631 /nfs/dbraw/zinc/30/56/31/599305631.db2.gz XWYVKYIGJFMJNY-MRXNPFEDSA-N -1 3 386.368 1.938 20 5 GDBDHM COc1cc(OC)cc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737053018 599305633 /nfs/dbraw/zinc/30/56/33/599305633.db2.gz XWYVKYIGJFMJNY-MRXNPFEDSA-N -1 3 386.368 1.938 20 5 GDBDHM COc1cc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000737052932 599324197 /nfs/dbraw/zinc/32/41/97/599324197.db2.gz DQAXXIWDPVHHLD-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM COc1cc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000737052932 599324199 /nfs/dbraw/zinc/32/41/99/599324199.db2.gz DQAXXIWDPVHHLD-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM Cc1ccc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822267303 599367402 /nfs/dbraw/zinc/36/74/02/599367402.db2.gz RSTPJPFMSLQTCL-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1ccc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822267303 599367404 /nfs/dbraw/zinc/36/74/04/599367404.db2.gz RSTPJPFMSLQTCL-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000738369317 599401104 /nfs/dbraw/zinc/40/11/04/599401104.db2.gz KUVTWDLAWREJTB-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000738369317 599401106 /nfs/dbraw/zinc/40/11/06/599401106.db2.gz KUVTWDLAWREJTB-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM C[C@@H]1COCCN1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814465 599526476 /nfs/dbraw/zinc/52/64/76/599526476.db2.gz WCUJCXXIUVPPBZ-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@@H]1COCCN1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814465 599526478 /nfs/dbraw/zinc/52/64/78/599526478.db2.gz WCUJCXXIUVPPBZ-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCSCCCO)cc(-c3nnn[n-]3)c2c1 ZINC000823645548 599529662 /nfs/dbraw/zinc/52/96/62/599529662.db2.gz TWMVQJOUGUQTQT-UHFFFAOYSA-N -1 3 375.414 1.851 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCSCCCO)cc(-c3nn[n-]n3)c2c1 ZINC000823645548 599529663 /nfs/dbraw/zinc/52/96/63/599529663.db2.gz TWMVQJOUGUQTQT-UHFFFAOYSA-N -1 3 375.414 1.851 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4ncnn4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644728 599537729 /nfs/dbraw/zinc/53/77/29/599537729.db2.gz KUWROWINVJCXJB-SECBINFHSA-N -1 3 378.356 1.342 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4ncnn4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644728 599537732 /nfs/dbraw/zinc/53/77/32/599537732.db2.gz KUWROWINVJCXJB-SECBINFHSA-N -1 3 378.356 1.342 20 5 GDBDHM C[C@@H]1[C@H](C)[S@](=O)CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820642489 599563203 /nfs/dbraw/zinc/56/32/03/599563203.db2.gz IXTSRJFQCZTXKQ-HEEOHCHNSA-N -1 3 387.425 1.669 20 5 GDBDHM C[C@@H]1[C@H](C)[S@](=O)CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820642489 599563206 /nfs/dbraw/zinc/56/32/06/599563206.db2.gz IXTSRJFQCZTXKQ-HEEOHCHNSA-N -1 3 387.425 1.669 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822459745 599633234 /nfs/dbraw/zinc/63/32/34/599633234.db2.gz VAEMSOVZXZZMSJ-UHFFFAOYSA-N -1 3 396.289 1.937 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822459745 599633235 /nfs/dbraw/zinc/63/32/35/599633235.db2.gz VAEMSOVZXZZMSJ-UHFFFAOYSA-N -1 3 396.289 1.937 20 5 GDBDHM 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O=C(COC1CCOCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826416541 608163460 /nfs/dbraw/zinc/16/34/60/608163460.db2.gz DEDSZFUFFUOQEH-UHFFFAOYSA-N -1 3 382.764 1.562 20 5 GDBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826442883 608214448 /nfs/dbraw/zinc/21/44/48/608214448.db2.gz ODSSLRGBZCQTPD-UHFFFAOYSA-N -1 3 382.365 1.710 20 5 GDBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826442883 608214450 /nfs/dbraw/zinc/21/44/50/608214450.db2.gz ODSSLRGBZCQTPD-UHFFFAOYSA-N -1 3 382.365 1.710 20 5 GDBDHM Cc1nn(C)c(C)c1[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826333552 608241463 /nfs/dbraw/zinc/24/14/63/608241463.db2.gz MANDSQVPCRIFNT-OAHLLOKOSA-N -1 3 384.400 1.703 20 5 GDBDHM Cc1nn(C)c(C)c1[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826333552 608241464 /nfs/dbraw/zinc/24/14/64/608241464.db2.gz MANDSQVPCRIFNT-OAHLLOKOSA-N -1 3 384.400 1.703 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826501471 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531612500 /nfs/dbraw/zinc/61/25/00/531612500.db2.gz NKIXKEOOHLEJBC-UHFFFAOYSA-N -1 3 379.232 1.798 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-]C2CCC(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000451625169 531649427 /nfs/dbraw/zinc/64/94/27/531649427.db2.gz UPQDDNZYCGMERG-UHFFFAOYSA-N -1 3 396.512 1.846 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(F)cc2I)n1 ZINC000503572862 531694883 /nfs/dbraw/zinc/69/48/83/531694883.db2.gz INQBKALKPGIYSD-UHFFFAOYSA-N -1 3 391.100 1.719 20 5 GDBDHM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451957622 531730177 /nfs/dbraw/zinc/73/01/77/531730177.db2.gz PXCXPRIQSOMCGY-SSDOTTSWSA-N -1 3 380.220 1.160 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(CS(C)(=O)=O)CCC1 ZINC000416627967 531715423 /nfs/dbraw/zinc/71/54/23/531715423.db2.gz FUYHZKABUJDHAE-UHFFFAOYSA-N -1 3 392.455 1.097 20 5 GDBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000619714260 531716202 /nfs/dbraw/zinc/71/62/02/531716202.db2.gz MEVVZRQODMBTGQ-QMMMGPOBSA-N -1 3 392.231 1.256 20 5 GDBDHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1 ZINC000591332362 531716446 /nfs/dbraw/zinc/71/64/46/531716446.db2.gz KUPIIOONZQTAMU-QMMMGPOBSA-N -1 3 392.231 1.304 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000451966282 531732176 /nfs/dbraw/zinc/73/21/76/531732176.db2.gz LZYVPCTVOUBJFM-ZWNOBZJWSA-N -1 3 386.455 1.897 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)ccc1Br ZINC000269762799 531744624 /nfs/dbraw/zinc/74/46/24/531744624.db2.gz DJBCBPXEZPWOJQ-UHFFFAOYSA-N -1 3 395.231 1.177 20 5 GDBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCOC1 ZINC000592087155 531758472 /nfs/dbraw/zinc/75/84/72/531758472.db2.gz NUBLMXWYYRKSML-CQSZACIVSA-N -1 3 378.834 1.704 20 5 GDBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000269823138 531773118 /nfs/dbraw/zinc/77/31/18/531773118.db2.gz WMPAGUVYCFIJEB-LBPRGKRZSA-N -1 3 397.247 1.423 20 5 GDBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC000594766643 531855674 /nfs/dbraw/zinc/85/56/74/531855674.db2.gz PDCHEDBZUXNKGX-GFCCVEGCSA-N -1 3 379.316 1.735 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000367720422 531856483 /nfs/dbraw/zinc/85/64/83/531856483.db2.gz LIUGMYVXKBASHE-NXEZZACHSA-N -1 3 393.824 1.529 20 5 GDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000563799060 531864257 /nfs/dbraw/zinc/86/42/57/531864257.db2.gz MYWFZUVEIZXSFN-SSDOTTSWSA-N -1 3 390.361 1.325 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)NCC1CC1 ZINC000272141206 532080382 /nfs/dbraw/zinc/08/03/82/532080382.db2.gz JVRXLKSYAKTEQB-UHFFFAOYSA-N -1 3 392.231 1.162 20 5 GDBDHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000603501423 532094207 /nfs/dbraw/zinc/09/42/07/532094207.db2.gz HYEJOMCCIHTWDX-UHFFFAOYSA-N -1 3 386.773 1.973 20 5 GDBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)s1 ZINC000603931060 532096631 /nfs/dbraw/zinc/09/66/31/532096631.db2.gz YUTVUCVHCSKYFR-UHFFFAOYSA-N -1 3 384.439 1.536 20 5 GDBDHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000274168011 532190387 /nfs/dbraw/zinc/19/03/87/532190387.db2.gz HUDMPJADOUQSGW-QMMMGPOBSA-N -1 3 386.304 1.376 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCSCC2)cc1[N+](=O)[O-] ZINC000275077021 532261808 /nfs/dbraw/zinc/26/18/08/532261808.db2.gz MIJKTVGTTFREIR-UHFFFAOYSA-N -1 3 379.435 1.070 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000275098761 532264295 /nfs/dbraw/zinc/26/42/95/532264295.db2.gz SNUVJYRZFQAQFH-AWEZNQCLSA-N -1 3 390.414 1.990 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C ZINC000276060895 532318463 /nfs/dbraw/zinc/31/84/63/532318463.db2.gz BPHNCTMCZCODTD-DEOSSOPVSA-N -1 3 392.455 1.207 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737114132 598867407 /nfs/dbraw/zinc/86/74/07/598867407.db2.gz FBYUQMDKRDFNGW-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737114132 598867408 /nfs/dbraw/zinc/86/74/08/598867408.db2.gz FBYUQMDKRDFNGW-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000738366601 598871527 /nfs/dbraw/zinc/87/15/27/598871527.db2.gz FXIQQKKWTDFBQQ-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000738366601 598871529 /nfs/dbraw/zinc/87/15/29/598871529.db2.gz FXIQQKKWTDFBQQ-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccc(O)cc1 ZINC000736890602 598914085 /nfs/dbraw/zinc/91/40/85/598914085.db2.gz BYAKIFAIRDKFQI-NSHDSACASA-N -1 3 399.367 1.319 20 5 GDBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccc(O)cc1 ZINC000736890602 598914086 /nfs/dbraw/zinc/91/40/86/598914086.db2.gz BYAKIFAIRDKFQI-NSHDSACASA-N -1 3 399.367 1.319 20 5 GDBDHM CNC(=O)c1cc([N+](=O)[O-])ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821635395 599048387 /nfs/dbraw/zinc/04/83/87/599048387.db2.gz ZTQIEFZQHNCFKM-UHFFFAOYSA-N -1 3 383.368 1.625 20 5 GDBDHM NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737567 599128082 /nfs/dbraw/zinc/12/80/82/599128082.db2.gz AHEXUXHZIULNCM-CYBMUJFWSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737567 599128085 /nfs/dbraw/zinc/12/80/85/599128085.db2.gz AHEXUXHZIULNCM-CYBMUJFWSA-N -1 3 386.299 1.297 20 5 GDBDHM CS[C@@H](CO)[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821950270 607326483 /nfs/dbraw/zinc/32/64/83/607326483.db2.gz MBQSQYIIEWWMTI-OQPBUACISA-N -1 3 375.414 1.847 20 5 GDBDHM CS[C@@H](CO)[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821950270 607326484 /nfs/dbraw/zinc/32/64/84/607326484.db2.gz MBQSQYIIEWWMTI-OQPBUACISA-N -1 3 375.414 1.847 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820316316 607335839 /nfs/dbraw/zinc/33/58/39/607335839.db2.gz SSHYFENILKUVGR-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820316316 607335840 /nfs/dbraw/zinc/33/58/40/607335840.db2.gz SSHYFENILKUVGR-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM O=C(CNc1cccc(-c2nnn[n-]2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000737898889 598420043 /nfs/dbraw/zinc/42/00/43/598420043.db2.gz MDEZCQXBTMBXAM-UHFFFAOYSA-N -1 3 383.324 1.554 20 5 GDBDHM O=C(CNc1cccc(-c2nn[n-]n2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000737898889 598420045 /nfs/dbraw/zinc/42/00/45/598420045.db2.gz MDEZCQXBTMBXAM-UHFFFAOYSA-N -1 3 383.324 1.554 20 5 GDBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738232662 598475729 /nfs/dbraw/zinc/47/57/29/598475729.db2.gz VNPYLNYKQZJPMV-UHFFFAOYSA-N -1 3 383.320 1.903 20 5 GDBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738232662 598475731 /nfs/dbraw/zinc/47/57/31/598475731.db2.gz VNPYLNYKQZJPMV-UHFFFAOYSA-N -1 3 383.320 1.903 20 5 GDBDHM O=Cc1ccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000738313779 598590419 /nfs/dbraw/zinc/59/04/19/598590419.db2.gz MSQDGCZYAGUBSC-UHFFFAOYSA-N -1 3 386.299 1.744 20 5 GDBDHM O=Cc1ccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000738313779 598590421 /nfs/dbraw/zinc/59/04/21/598590421.db2.gz MSQDGCZYAGUBSC-UHFFFAOYSA-N -1 3 386.299 1.744 20 5 GDBDHM Cc1ccc(N(C)C2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)nn1 ZINC000737346077 598672773 /nfs/dbraw/zinc/67/27/73/598672773.db2.gz DDLHMHGFYVYIOH-UHFFFAOYSA-N -1 3 395.427 1.979 20 5 GDBDHM Cc1ccc(N(C)C2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)nn1 ZINC000737346077 598672774 /nfs/dbraw/zinc/67/27/74/598672774.db2.gz DDLHMHGFYVYIOH-UHFFFAOYSA-N -1 3 395.427 1.979 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822212689 599365887 /nfs/dbraw/zinc/36/58/87/599365887.db2.gz CCSOBMLOWGWJHL-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822212689 599365888 /nfs/dbraw/zinc/36/58/88/599365888.db2.gz CCSOBMLOWGWJHL-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM C[C@@H](CN1CCCC1=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820253305 599484864 /nfs/dbraw/zinc/48/48/64/599484864.db2.gz HVKHRFCGBYDHBY-JTQLQIEISA-N -1 3 382.384 1.746 20 5 GDBDHM C[C@@H](CN1CCCC1=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820253305 599484867 /nfs/dbraw/zinc/48/48/67/599484867.db2.gz HVKHRFCGBYDHBY-JTQLQIEISA-N -1 3 382.384 1.746 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](C4OCCO4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645180 599518168 /nfs/dbraw/zinc/51/81/68/599518168.db2.gz PAMFIWOFBLKEAM-NSHDSACASA-N -1 3 397.395 1.912 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](C4OCCO4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645180 599518170 /nfs/dbraw/zinc/51/81/70/599518170.db2.gz PAMFIWOFBLKEAM-NSHDSACASA-N -1 3 397.395 1.912 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)C3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645996 599564990 /nfs/dbraw/zinc/56/49/90/599564990.db2.gz ZFFHWRWQRFQHLN-HNNXBMFYSA-N -1 3 385.384 1.523 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)C3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645996 599564992 /nfs/dbraw/zinc/56/49/92/599564992.db2.gz ZFFHWRWQRFQHLN-HNNXBMFYSA-N -1 3 385.384 1.523 20 5 GDBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)CN1CCOCC1 ZINC000820276190 599566011 /nfs/dbraw/zinc/56/60/11/599566011.db2.gz UFISGRBUWJOEII-LBPRGKRZSA-N -1 3 398.427 1.703 20 5 GDBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)CN1CCOCC1 ZINC000820276190 599566013 /nfs/dbraw/zinc/56/60/13/599566013.db2.gz UFISGRBUWJOEII-LBPRGKRZSA-N -1 3 398.427 1.703 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000822216551 599612947 /nfs/dbraw/zinc/61/29/47/599612947.db2.gz RXGVRROMMZEZPE-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000822216551 599612949 /nfs/dbraw/zinc/61/29/49/599612949.db2.gz RXGVRROMMZEZPE-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM CCN1CCN(C[C@H](C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737115581 600593043 /nfs/dbraw/zinc/59/30/43/600593043.db2.gz LPANLTYDQVQFPS-CYBMUJFWSA-N -1 3 378.429 1.296 20 5 GDBDHM O=C([O-])[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN(Cc2ccccc2)C1 ZINC000833122734 601741387 /nfs/dbraw/zinc/74/13/87/601741387.db2.gz LAAXFKXAMAJHHJ-SFHVURJKSA-N -1 3 387.396 1.027 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826499381 607531248 /nfs/dbraw/zinc/53/12/48/607531248.db2.gz GVRMDIRMEYYTGN-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826499381 607531249 /nfs/dbraw/zinc/53/12/49/607531249.db2.gz GVRMDIRMEYYTGN-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739181486 602783120 /nfs/dbraw/zinc/78/31/20/602783120.db2.gz JUICIVHOJQMBLF-DGCLKSJQSA-N -1 3 378.385 1.871 20 5 GDBDHM COc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826197309 607627619 /nfs/dbraw/zinc/62/76/19/607627619.db2.gz JPSNXHXJEHPCDE-UHFFFAOYSA-N -1 3 383.368 1.512 20 5 GDBDHM COc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826197309 607627620 /nfs/dbraw/zinc/62/76/20/607627620.db2.gz JPSNXHXJEHPCDE-UHFFFAOYSA-N -1 3 383.368 1.512 20 5 GDBDHM CS(=O)(=O)c1ccc(NCCN[C@@H](C(=O)[O-])c2cccnc2)c([N+](=O)[O-])c1 ZINC000832720051 604989041 /nfs/dbraw/zinc/98/90/41/604989041.db2.gz IOBZWOWWIIDXBB-OAHLLOKOSA-N -1 3 394.409 1.221 20 5 GDBDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000821343796 606042619 /nfs/dbraw/zinc/04/26/19/606042619.db2.gz SYBDWODQALZZDZ-UHFFFAOYSA-N -1 3 390.385 1.335 20 5 GDBDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000821343796 606042623 /nfs/dbraw/zinc/04/26/23/606042623.db2.gz SYBDWODQALZZDZ-UHFFFAOYSA-N -1 3 390.385 1.335 20 5 GDBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821572095 606480343 /nfs/dbraw/zinc/48/03/43/606480343.db2.gz RAFKQNJKVPMMES-SNVBAGLBSA-N -1 3 390.404 1.616 20 5 GDBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821572095 606480344 /nfs/dbraw/zinc/48/03/44/606480344.db2.gz RAFKQNJKVPMMES-SNVBAGLBSA-N -1 3 390.404 1.616 20 5 GDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823087539 606490835 /nfs/dbraw/zinc/49/08/35/606490835.db2.gz SMWCDHGDCQSCSK-UHFFFAOYSA-N -1 3 393.407 1.666 20 5 GDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823087539 606490837 /nfs/dbraw/zinc/49/08/37/606490837.db2.gz SMWCDHGDCQSCSK-UHFFFAOYSA-N -1 3 393.407 1.666 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822271098 606567730 /nfs/dbraw/zinc/56/77/30/606567730.db2.gz MGHJCMBMUMVCCF-UHFFFAOYSA-N -1 3 388.365 1.940 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822271098 606567731 /nfs/dbraw/zinc/56/77/31/606567731.db2.gz MGHJCMBMUMVCCF-UHFFFAOYSA-N -1 3 388.365 1.940 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCn4ncnc43)cc(-c3nnn[n-]3)c2c1 ZINC000823646092 606593193 /nfs/dbraw/zinc/59/31/93/606593193.db2.gz ZSWJDGNEARGVOI-ZDUSSCGKSA-N -1 3 378.356 1.862 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCn4ncnc43)cc(-c3nn[n-]n3)c2c1 ZINC000823646092 606593194 /nfs/dbraw/zinc/59/31/94/606593194.db2.gz ZSWJDGNEARGVOI-ZDUSSCGKSA-N -1 3 378.356 1.862 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639768 606878977 /nfs/dbraw/zinc/87/89/77/606878977.db2.gz HJJQEMULSRNGNV-DOMZBBRYSA-N -1 3 386.368 1.697 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823639768 606878978 /nfs/dbraw/zinc/87/89/78/606878978.db2.gz HJJQEMULSRNGNV-DOMZBBRYSA-N -1 3 386.368 1.697 20 5 GDBDHM CCOC(=O)c1cc(NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-] ZINC000821337559 606918851 /nfs/dbraw/zinc/91/88/51/606918851.db2.gz KHLYZDVNOVGMPJ-UHFFFAOYSA-N -1 3 398.383 1.871 20 5 GDBDHM CCOC(=O)c1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-] ZINC000821337559 606918852 /nfs/dbraw/zinc/91/88/52/606918852.db2.gz KHLYZDVNOVGMPJ-UHFFFAOYSA-N -1 3 398.383 1.871 20 5 GDBDHM NS(=O)(=O)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822899768 606945644 /nfs/dbraw/zinc/94/56/44/606945644.db2.gz RYWOIABBWUIAMO-UHFFFAOYSA-N -1 3 378.395 1.574 20 5 GDBDHM NS(=O)(=O)c1ccc(Sc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822899768 606945645 /nfs/dbraw/zinc/94/56/45/606945645.db2.gz RYWOIABBWUIAMO-UHFFFAOYSA-N -1 3 378.395 1.574 20 5 GDBDHM C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820512930 607003032 /nfs/dbraw/zinc/00/30/32/607003032.db2.gz PRCSCNKGUZEWBA-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820512930 607003034 /nfs/dbraw/zinc/00/30/34/607003034.db2.gz PRCSCNKGUZEWBA-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648625 607003069 /nfs/dbraw/zinc/00/30/69/607003069.db2.gz OLGOPKCEGXEJHF-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648625 607003071 /nfs/dbraw/zinc/00/30/71/607003071.db2.gz OLGOPKCEGXEJHF-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM Cc1noc([C@@H](C)N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)n1 ZINC000826338554 607841568 /nfs/dbraw/zinc/84/15/68/607841568.db2.gz ZMVXTPGBNHWQHE-SNVBAGLBSA-N -1 3 385.388 1.350 20 5 GDBDHM CN(C[C@H]1CCCN1c1cccnn1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825909104 607842117 /nfs/dbraw/zinc/84/21/17/607842117.db2.gz ROLIGRLBRWSXME-CYBMUJFWSA-N -1 3 381.400 1.670 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COc1ccccc1F ZINC000826499810 607876661 /nfs/dbraw/zinc/87/66/61/607876661.db2.gz YNWZODXEMSDEOC-JTQLQIEISA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COc1ccccc1F ZINC000826499810 607876662 /nfs/dbraw/zinc/87/66/62/607876662.db2.gz YNWZODXEMSDEOC-JTQLQIEISA-N -1 3 375.316 1.733 20 5 GDBDHM Nc1c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cccc1[N+](=O)[O-] ZINC000826395589 608080318 /nfs/dbraw/zinc/08/03/18/608080318.db2.gz KAZLZHYSULYOTH-OAHLLOKOSA-N -1 3 395.379 1.571 20 5 GDBDHM Nc1c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826395589 608080319 /nfs/dbraw/zinc/08/03/19/608080319.db2.gz KAZLZHYSULYOTH-OAHLLOKOSA-N -1 3 395.379 1.571 20 5 GDBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cnn(C)c1 ZINC000824045226 608159303 /nfs/dbraw/zinc/15/93/03/608159303.db2.gz JNTPLKIHECYFJV-ZETCQYMHSA-N -1 3 376.764 1.904 20 5 GDBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cnn(C)c1 ZINC000824045226 608159304 /nfs/dbraw/zinc/15/93/04/608159304.db2.gz JNTPLKIHECYFJV-ZETCQYMHSA-N -1 3 376.764 1.904 20 5 GDBDHM Cn1cc([C@H](O)C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000826359415 608301790 /nfs/dbraw/zinc/30/17/90/608301790.db2.gz GMIZYBMEETZDEY-BLLLJJGKSA-N -1 3 384.400 1.601 20 5 GDBDHM Cn1cc([C@H](O)C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000826359415 608301792 /nfs/dbraw/zinc/30/17/92/608301792.db2.gz GMIZYBMEETZDEY-BLLLJJGKSA-N -1 3 384.400 1.601 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000826172222 608349711 /nfs/dbraw/zinc/34/97/11/608349711.db2.gz UGAAIMAOUJCCON-UHFFFAOYSA-N -1 3 388.315 1.862 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000826172222 608349712 /nfs/dbraw/zinc/34/97/12/608349712.db2.gz UGAAIMAOUJCCON-UHFFFAOYSA-N -1 3 388.315 1.862 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cn1 ZINC000826498893 608385166 /nfs/dbraw/zinc/38/51/66/608385166.db2.gz NMYOHEIISBFYRG-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)cn1 ZINC000826498893 608385168 /nfs/dbraw/zinc/38/51/68/608385168.db2.gz NMYOHEIISBFYRG-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM C[C@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824562828 608563287 /nfs/dbraw/zinc/56/32/87/608563287.db2.gz JPNCEFBIABVTCH-LBPRGKRZSA-N -1 3 381.396 1.742 20 5 GDBDHM COC(=O)CN(CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826138415 609172768 /nfs/dbraw/zinc/17/27/68/609172768.db2.gz UEFHTKSRZAQWCC-UHFFFAOYSA-N -1 3 382.380 1.997 20 5 GDBDHM COC(=O)CN(CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826138415 609172770 /nfs/dbraw/zinc/17/27/70/609172770.db2.gz UEFHTKSRZAQWCC-UHFFFAOYSA-N -1 3 382.380 1.997 20 5 GDBDHM Cc1cccc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826295961 609282955 /nfs/dbraw/zinc/28/29/55/609282955.db2.gz FCQWFAXWXVRIFR-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM Cc1cccc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826295961 609282957 /nfs/dbraw/zinc/28/29/57/609282957.db2.gz FCQWFAXWXVRIFR-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826268288 609308869 /nfs/dbraw/zinc/30/88/69/609308869.db2.gz RKMKMVPLKSAHED-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826268288 609308871 /nfs/dbraw/zinc/30/88/71/609308871.db2.gz RKMKMVPLKSAHED-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM O=c1c([N+](=O)[O-])cccn1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826501252 609312224 /nfs/dbraw/zinc/31/22/24/609312224.db2.gz HFAZFTLGNKLARY-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=c1c([N+](=O)[O-])cccn1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826501252 609312226 /nfs/dbraw/zinc/31/22/26/609312226.db2.gz HFAZFTLGNKLARY-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCS(=O)(=O)CC1 ZINC000535908042 650260393 /nfs/dbraw/zinc/26/03/93/650260393.db2.gz ZCWKJDYRGKDRCF-UHFFFAOYSA-N -1 3 382.847 1.351 20 5 GDBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000158149594 644834658 /nfs/dbraw/zinc/83/46/58/644834658.db2.gz LEMRLCUMLUIRMT-SNVBAGLBSA-N -1 3 380.220 1.146 20 5 GDBDHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443258289 647195743 /nfs/dbraw/zinc/19/57/43/647195743.db2.gz VBNAKNLEENEBTO-MRVPVSSYSA-N -1 3 399.288 1.750 20 5 GDBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000480951682 647863677 /nfs/dbraw/zinc/86/36/77/647863677.db2.gz JLWKPTSMXIRLDB-UHFFFAOYSA-N -1 3 382.847 1.494 20 5 GDBDHM CCn1ncnc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000481245682 647873367 /nfs/dbraw/zinc/87/33/67/647873367.db2.gz JRJUTVARCMWIHC-UHFFFAOYSA-N -1 3 390.219 1.447 20 5 GDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000594759038 652357141 /nfs/dbraw/zinc/35/71/41/652357141.db2.gz MAEVTBQCGNWSSP-NSHDSACASA-N -1 3 379.316 1.735 20 5 GDBDHM C[C@@H]1CO[C@@H](C)CN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594816302 652372010 /nfs/dbraw/zinc/37/20/10/652372010.db2.gz GSZFWRHCUYUZML-MNOVXSKESA-N -1 3 377.850 1.636 20 5 GDBDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])cc1F ZINC000771162762 654531096 /nfs/dbraw/zinc/53/10/96/654531096.db2.gz HMOQZYYLHBCLFZ-UHFFFAOYSA-N -1 3 391.358 1.268 20 5 GDBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742273623 654698830 /nfs/dbraw/zinc/69/88/30/654698830.db2.gz OGOXZFYDGUDQSM-ZETCQYMHSA-N -1 3 380.220 1.160 20 5 GDBDHM CCC(CC)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000742286741 654700150 /nfs/dbraw/zinc/70/01/50/654700150.db2.gz HWVGQQCIVAJBNA-UHFFFAOYSA-N -1 3 394.247 1.680 20 5 GDBDHM C[C@H]1CCN(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000745943204 654752075 /nfs/dbraw/zinc/75/20/75/654752075.db2.gz 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CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759068325 655076165 /nfs/dbraw/zinc/07/61/65/655076165.db2.gz GPYKUBTWMMJJDF-LBPRGKRZSA-N -1 3 391.471 1.156 20 5 GDBDHM Cn1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000760605011 655120387 /nfs/dbraw/zinc/12/03/87/655120387.db2.gz NKMRXQXQCLFXQK-UHFFFAOYSA-N -1 3 389.231 1.612 20 5 GDBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC ZINC000761300387 655142571 /nfs/dbraw/zinc/14/25/71/655142571.db2.gz QQLUQLPFBMBLRR-VIFPVBQESA-N -1 3 381.204 1.587 20 5 GDBDHM CN(CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795805496 655188459 /nfs/dbraw/zinc/18/84/59/655188459.db2.gz ODTPYGJEDRPVNH-UHFFFAOYSA-N -1 3 396.238 1.869 20 5 GDBDHM CC(C)[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000796088471 655202057 /nfs/dbraw/zinc/20/20/57/655202057.db2.gz RXVBLTLXHLSQTD-GFCCVEGCSA-N -1 3 394.247 1.536 20 5 GDBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C(=O)O1 ZINC000841520355 655335896 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C[C@@](CNC(=O)[O-])(NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000824952068 605164189 /nfs/dbraw/zinc/16/41/89/605164189.db2.gz IPHBVUPAHJZDGB-INIZCTEOSA-N -1 3 380.357 1.288 20 5 GDBDHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833591785 605399911 /nfs/dbraw/zinc/39/99/11/605399911.db2.gz NEGKUENFKOATJY-FRRDWIJNSA-N -1 3 399.469 1.938 20 5 GDBDHM CN(C)C(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821575743 606444824 /nfs/dbraw/zinc/44/48/24/606444824.db2.gz NUGGMSAWTLPOFA-CQSZACIVSA-N -1 3 382.384 1.380 20 5 GDBDHM CN(C)C(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821575743 606444826 /nfs/dbraw/zinc/44/48/26/606444826.db2.gz NUGGMSAWTLPOFA-CQSZACIVSA-N -1 3 382.384 1.380 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ncn1 ZINC000821637327 606708159 /nfs/dbraw/zinc/70/81/59/606708159.db2.gz BESSZRJABHQDLD-JTQLQIEISA-N -1 3 397.403 1.083 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ncn1 ZINC000821637327 606708161 /nfs/dbraw/zinc/70/81/61/606708161.db2.gz BESSZRJABHQDLD-JTQLQIEISA-N -1 3 397.403 1.083 20 5 GDBDHM Cc1c(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000822029458 606784478 /nfs/dbraw/zinc/78/44/78/606784478.db2.gz ZBMOWCWRXKHOOX-GFCCVEGCSA-N -1 3 395.427 1.584 20 5 GDBDHM Cc1c(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000822029458 606784480 /nfs/dbraw/zinc/78/44/80/606784480.db2.gz ZBMOWCWRXKHOOX-GFCCVEGCSA-N -1 3 395.427 1.584 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000822222972 607051113 /nfs/dbraw/zinc/05/11/13/607051113.db2.gz ZOSKKLFXHCYZFI-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000822222972 607051115 /nfs/dbraw/zinc/05/11/15/607051115.db2.gz ZOSKKLFXHCYZFI-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1nn(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000826334806 607814746 /nfs/dbraw/zinc/81/47/46/607814746.db2.gz KHYFUQFOIIMHPD-UHFFFAOYSA-N -1 3 377.386 1.062 20 5 GDBDHM Cc1nn(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000826334806 607814747 /nfs/dbraw/zinc/81/47/47/607814747.db2.gz KHYFUQFOIIMHPD-UHFFFAOYSA-N -1 3 377.386 1.062 20 5 GDBDHM Cc1nc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)sc1C ZINC000826326738 607820442 /nfs/dbraw/zinc/82/04/42/607820442.db2.gz BWZOLFCHTHLTRG-UHFFFAOYSA-N -1 3 387.429 1.570 20 5 GDBDHM Cc1nc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)sc1C ZINC000826326738 607820443 /nfs/dbraw/zinc/82/04/43/607820443.db2.gz BWZOLFCHTHLTRG-UHFFFAOYSA-N -1 3 387.429 1.570 20 5 GDBDHM Cc1cc(C)n(C[C@@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826265345 607842096 /nfs/dbraw/zinc/84/20/96/607842096.db2.gz VPEMSVUHRPCBQY-AWEZNQCLSA-N -1 3 384.400 1.494 20 5 GDBDHM CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825950989 607848286 /nfs/dbraw/zinc/84/82/86/607848286.db2.gz ZFTQFPKFMDUNAC-UHFFFAOYSA-N -1 3 397.326 1.604 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COc1ccc(F)cc1 ZINC000826499346 607876635 /nfs/dbraw/zinc/87/66/35/607876635.db2.gz FMUCTWMYFPWZQI-NSHDSACASA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COc1ccc(F)cc1 ZINC000826499346 607876636 /nfs/dbraw/zinc/87/66/36/607876636.db2.gz FMUCTWMYFPWZQI-NSHDSACASA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC000826499596 607933942 /nfs/dbraw/zinc/93/39/42/607933942.db2.gz OTVTUZHRVWNSFY-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1 ZINC000826499596 607933943 /nfs/dbraw/zinc/93/39/43/607933943.db2.gz OTVTUZHRVWNSFY-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826408656 608057594 /nfs/dbraw/zinc/05/75/94/608057594.db2.gz PTNYYQFOGZXPAL-UHFFFAOYSA-N -1 3 384.352 1.113 20 5 GDBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826408656 608057595 /nfs/dbraw/zinc/05/75/95/608057595.db2.gz PTNYYQFOGZXPAL-UHFFFAOYSA-N -1 3 384.352 1.113 20 5 GDBDHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826463093 608130663 /nfs/dbraw/zinc/13/06/63/608130663.db2.gz SQDQDAFRKWQCAY-UHFFFAOYSA-N -1 3 394.347 1.521 20 5 GDBDHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826463093 608130664 /nfs/dbraw/zinc/13/06/64/608130664.db2.gz SQDQDAFRKWQCAY-UHFFFAOYSA-N -1 3 394.347 1.521 20 5 GDBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000826161423 608137909 /nfs/dbraw/zinc/13/79/09/608137909.db2.gz HRRZFPQIBYDJLB-UHFFFAOYSA-N -1 3 387.356 1.391 20 5 GDBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000826161423 608137910 /nfs/dbraw/zinc/13/79/10/608137910.db2.gz HRRZFPQIBYDJLB-UHFFFAOYSA-N -1 3 387.356 1.391 20 5 GDBDHM O=C(CN1CCCCCC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826410522 608160284 /nfs/dbraw/zinc/16/02/84/608160284.db2.gz PTRZNLIPFZPIPE-UHFFFAOYSA-N -1 3 393.791 1.769 20 5 GDBDHM O=C(CN1CCCCCC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826410522 608160285 /nfs/dbraw/zinc/16/02/85/608160285.db2.gz PTRZNLIPFZPIPE-UHFFFAOYSA-N -1 3 393.791 1.769 20 5 GDBDHM COc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826221686 608162864 /nfs/dbraw/zinc/16/28/64/608162864.db2.gz QFFIHXDOCKQYJZ-UHFFFAOYSA-N -1 3 376.720 1.479 20 5 GDBDHM CCOC(=O)NCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825523785 608162933 /nfs/dbraw/zinc/16/29/33/608162933.db2.gz USOPALSSFGLVDW-UHFFFAOYSA-N -1 3 397.779 1.893 20 5 GDBDHM CCOC(=O)NCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825523785 608162934 /nfs/dbraw/zinc/16/29/34/608162934.db2.gz USOPALSSFGLVDW-UHFFFAOYSA-N -1 3 397.779 1.893 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273097 608384686 /nfs/dbraw/zinc/38/46/86/608384686.db2.gz PGSFYUCEEWEGQS-OAHLLOKOSA-N -1 3 396.407 1.886 20 5 GDBDHM O=c1c(Br)cn(Cc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826501234 608400726 /nfs/dbraw/zinc/40/07/26/608400726.db2.gz GLAZGYVYWMXOJP-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cn(Cc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826501234 608400728 /nfs/dbraw/zinc/40/07/28/608400728.db2.gz GLAZGYVYWMXOJP-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826395652 608451897 /nfs/dbraw/zinc/45/18/97/608451897.db2.gz NGXWHCWYVHPWIB-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826395652 608451899 /nfs/dbraw/zinc/45/18/99/608451899.db2.gz NGXWHCWYVHPWIB-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM CN(CCN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825938899 608552583 /nfs/dbraw/zinc/55/25/83/608552583.db2.gz YSVUHLAIDRKFJE-UHFFFAOYSA-N -1 3 378.393 1.473 20 5 GDBDHM CN(CCN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825938899 608552585 /nfs/dbraw/zinc/55/25/85/608552585.db2.gz YSVUHLAIDRKFJE-UHFFFAOYSA-N -1 3 378.393 1.473 20 5 GDBDHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826460645 609372333 /nfs/dbraw/zinc/37/23/33/609372333.db2.gz LVAXCRFZFVJKOW-GFCCVEGCSA-N -1 3 385.365 1.968 20 5 GDBDHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826460645 609372336 /nfs/dbraw/zinc/37/23/36/609372336.db2.gz LVAXCRFZFVJKOW-GFCCVEGCSA-N -1 3 385.365 1.968 20 5 GDBDHM CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1-c1nnn[n-]1 ZINC000825812972 609394761 /nfs/dbraw/zinc/39/47/61/609394761.db2.gz ZCTYVVVJTNCXLN-MRXNPFEDSA-N -1 3 393.363 1.931 20 5 GDBDHM CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1-c1nn[n-]n1 ZINC000825812972 609394763 /nfs/dbraw/zinc/39/47/63/609394763.db2.gz ZCTYVVVJTNCXLN-MRXNPFEDSA-N -1 3 393.363 1.931 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826438480 609453096 /nfs/dbraw/zinc/45/30/96/609453096.db2.gz FBYFEXKSEMIXHP-UHFFFAOYSA-N -1 3 398.335 1.312 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826498179 609540490 /nfs/dbraw/zinc/54/04/90/609540490.db2.gz KERSYNXXXKCHLQ-UHFFFAOYSA-N -1 3 388.409 1.437 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826498179 609540492 /nfs/dbraw/zinc/54/04/92/609540492.db2.gz KERSYNXXXKCHLQ-UHFFFAOYSA-N -1 3 388.409 1.437 20 5 GDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499714 609542029 /nfs/dbraw/zinc/54/20/29/609542029.db2.gz UHSVYWCHVMQCDA-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499714 609542030 /nfs/dbraw/zinc/54/20/30/609542030.db2.gz UHSVYWCHVMQCDA-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM O=C1NC2(CO1)CCN(c1cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000826482584 609601497 /nfs/dbraw/zinc/60/14/97/609601497.db2.gz JVOUQRDRTFKQID-UHFFFAOYSA-N -1 3 396.367 1.402 20 5 GDBDHM O=C1NC2(CO1)CCN(c1cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000826482584 609601499 /nfs/dbraw/zinc/60/14/99/609601499.db2.gz JVOUQRDRTFKQID-UHFFFAOYSA-N -1 3 396.367 1.402 20 5 GDBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000533465842 650053179 /nfs/dbraw/zinc/05/31/79/650053179.db2.gz KJINXHFRQSWSGT-GFCCVEGCSA-N -1 3 395.231 1.977 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)c(Cl)c1 ZINC000460925390 647479132 /nfs/dbraw/zinc/47/91/32/647479132.db2.gz RNALGUKJKQGBFG-CYBMUJFWSA-N -1 3 378.834 1.704 20 5 GDBDHM C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000768909956 654441452 /nfs/dbraw/zinc/44/14/52/654441452.db2.gz PRMTZNWBSPLLRM-SECBINFHSA-N -1 3 377.394 1.925 20 5 GDBDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000748149799 654800479 /nfs/dbraw/zinc/80/04/79/654800479.db2.gz SUZKIBULVWKIRA-UHFFFAOYSA-N -1 3 378.378 1.122 20 5 GDBDHM COC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000781408577 654805243 /nfs/dbraw/zinc/80/52/43/654805243.db2.gz NAWOOKGEVIDOAB-VIFPVBQESA-N -1 3 383.220 1.297 20 5 GDBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784120209 654877876 /nfs/dbraw/zinc/87/78/76/654877876.db2.gz AHWIHBPBCJYROD-UHFFFAOYSA-N -1 3 380.806 1.247 20 5 GDBDHM C[C@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000751394482 654886405 /nfs/dbraw/zinc/88/64/05/654886405.db2.gz VUGYHGAWSFAKCO-LBPRGKRZSA-N -1 3 379.232 1.797 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1n[nH]c(C2CC2)n1 ZINC000831837877 654999171 /nfs/dbraw/zinc/99/91/71/654999171.db2.gz HLXCVHABXYXLMW-UHFFFAOYSA-N -1 3 375.769 1.861 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000757743968 655043187 /nfs/dbraw/zinc/04/31/87/655043187.db2.gz AGYBRIQNNLYFQE-RXMQYKEDSA-N -1 3 394.182 1.654 20 5 GDBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000766495704 655267977 /nfs/dbraw/zinc/26/79/77/655267977.db2.gz WXTIIFUONGZYHR-LLVKDONJSA-N -1 3 379.316 1.999 20 5 GDBDHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000848467183 655493021 /nfs/dbraw/zinc/49/30/21/655493021.db2.gz KVRSRKIHGPIXPN-NSHDSACASA-N -1 3 383.220 1.033 20 5 GDBDHM CN(C)C(=O)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000849446378 655537075 /nfs/dbraw/zinc/53/70/75/655537075.db2.gz RSQPLDZKHQVZKK-UHFFFAOYSA-N -1 3 396.219 1.334 20 5 GDBDHM CCN1CC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000882766100 657223027 /nfs/dbraw/zinc/22/30/27/657223027.db2.gz VGDQEMXBCMQZMJ-JTQLQIEISA-N -1 3 378.248 1.730 20 5 GDBDHM CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375927 947166927 /nfs/dbraw/zinc/16/69/27/947166927.db2.gz ADYGGTIVJNZIML-UHFFFAOYSA-N -1 3 376.764 1.678 20 5 GDBDHM CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375927 947166935 /nfs/dbraw/zinc/16/69/35/947166935.db2.gz ADYGGTIVJNZIML-UHFFFAOYSA-N -1 3 376.764 1.678 20 5 GDBDHM COc1cc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000826179245 947553463 /nfs/dbraw/zinc/55/34/63/947553463.db2.gz GKXOKAURYODRNV-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM COc1cc(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000826179245 947553467 /nfs/dbraw/zinc/55/34/67/947553467.db2.gz GKXOKAURYODRNV-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC001589627806 987523565 /nfs/dbraw/zinc/52/35/65/987523565.db2.gz MVKKEELCIILOKO-UHFFFAOYSA-N -1 3 385.808 1.843 20 5 GDBDHM CC(C)CN1CCO[C@@H](CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591366900 992384414 /nfs/dbraw/zinc/38/44/14/992384414.db2.gz FTSPGHMCUAKSIF-HNNXBMFYSA-N -1 3 381.429 1.505 20 5 GDBDHM CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)[O-])[C@H]2C1 ZINC001598574515 993253238 /nfs/dbraw/zinc/25/32/38/993253238.db2.gz KHRWBBIQVQTRBA-RISCZKNCSA-N -1 3 379.438 1.938 20 5 GDBDHM Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC000014207031 530559578 /nfs/dbraw/zinc/55/95/78/530559578.db2.gz VHFNVFZQIQRSPP-UHFFFAOYSA-N -1 3 383.158 1.154 20 5 GDBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000029971897 530597514 /nfs/dbraw/zinc/59/75/14/530597514.db2.gz BTIAKERPCSOPCO-UHFFFAOYSA-N -1 3 383.813 1.957 20 5 GDBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000173452086 530630950 /nfs/dbraw/zinc/63/09/50/530630950.db2.gz OMWWDVYJJLJDJZ-LBPRGKRZSA-N -1 3 376.504 1.207 20 5 GDBDHM O=C(NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000176911491 530694029 /nfs/dbraw/zinc/69/40/29/530694029.db2.gz XGKJSMMYFGAXJP-UHFFFAOYSA-N -1 3 375.834 1.833 20 5 GDBDHM CN(C)C(=O)CCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000178313559 530719259 /nfs/dbraw/zinc/71/92/59/530719259.db2.gz DKNATMSOOIMHNC-UHFFFAOYSA-N -1 3 394.247 1.504 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)N1CCOCC1 ZINC000104757886 530840119 /nfs/dbraw/zinc/84/01/19/530840119.db2.gz BFNSBHHTVNNMAB-QWRGUYRKSA-N -1 3 377.850 1.636 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000127505952 531031174 /nfs/dbraw/zinc/03/11/74/531031174.db2.gz IKFWIHXGPCBZNM-QWHCGFSZSA-N -1 3 389.499 1.703 20 5 GDBDHM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cnn1C ZINC000152607548 531154331 /nfs/dbraw/zinc/15/43/31/531154331.db2.gz ONFIRPQNFUHJPN-UHFFFAOYSA-N -1 3 389.231 1.878 20 5 GDBDHM COCCN(C)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000155532396 531201300 /nfs/dbraw/zinc/20/13/00/531201300.db2.gz DTPFDMOKFXSWSV-UHFFFAOYSA-N -1 3 396.263 1.214 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000520419268 531227520 /nfs/dbraw/zinc/22/75/20/531227520.db2.gz WZSFXGLNZVXIQQ-GJZGRUSLSA-N -1 3 390.845 1.847 20 5 GDBDHM CN(C)c1ncc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000265327223 531243639 /nfs/dbraw/zinc/24/36/39/531243639.db2.gz USYXPNLMVQPWCT-UHFFFAOYSA-N -1 3 385.471 1.185 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCOC2)c1 ZINC000443266916 531389256 /nfs/dbraw/zinc/38/92/56/531389256.db2.gz CKVKIJKNIDLRNY-PRHODGIISA-N -1 3 395.231 1.033 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000443279667 531390258 /nfs/dbraw/zinc/39/02/58/531390258.db2.gz ZMRXGXFTHQRIQD-LDYMZIIASA-N -1 3 384.332 1.289 20 5 GDBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[S@@](C)=O ZINC000447039465 531413962 /nfs/dbraw/zinc/41/39/62/531413962.db2.gz PACRCWZFADREQV-FFVOIRBGSA-N -1 3 399.288 1.793 20 5 GDBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCCSC1 ZINC000267376420 531423068 /nfs/dbraw/zinc/42/30/68/531423068.db2.gz UWEUBQVAUWZRFP-LLVKDONJSA-N -1 3 388.471 1.068 20 5 GDBDHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000485925616 531440363 /nfs/dbraw/zinc/44/03/63/531440363.db2.gz SQJFXEFLIBJGDK-CHWSQXEVSA-N -1 3 394.833 1.347 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCO2)c(Br)c1 ZINC000447945825 531444204 /nfs/dbraw/zinc/44/42/04/531444204.db2.gz YEHQHRXSSFYMTI-QWRGUYRKSA-N -1 3 395.231 1.176 20 5 GDBDHM COCCNC(=O)Cn1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000268461129 531515769 /nfs/dbraw/zinc/51/57/69/531515769.db2.gz DVSHFEVGQXCYRZ-UHFFFAOYSA-N -1 3 399.205 1.455 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)c(Cl)c1 ZINC000363689488 531500496 /nfs/dbraw/zinc/50/04/96/531500496.db2.gz GGOZPADQFJLTNI-NWDGAFQWSA-N -1 3 375.834 1.390 20 5 GDBDHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268914465 531588593 /nfs/dbraw/zinc/58/85/93/531588593.db2.gz ZTCKZRKRRLZBQX-UHFFFAOYSA-N -1 3 381.204 1.587 20 5 GDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559560630 531604531 /nfs/dbraw/zinc/60/45/31/531604531.db2.gz CAVMDNWCNZXMAY-SNVBAGLBSA-N -1 3 383.202 1.908 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1scnc1C ZINC000295625003 531605909 /nfs/dbraw/zinc/60/59/09/531605909.db2.gz ZLFMKIFJWYQJOG-UHFFFAOYSA-N -1 3 385.423 1.667 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000269105597 531608929 /nfs/dbraw/zinc/60/89/29/531608929.db2.gz BGBSDGJDYYMRLI-IAQYHMDHSA-N -1 3 388.467 1.936 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000416454401 531622488 /nfs/dbraw/zinc/62/24/88/531622488.db2.gz HZTPLOCNMNZVKC-UHFFFAOYSA-N -1 3 379.320 1.574 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1CC1 ZINC000416462022 531624654 /nfs/dbraw/zinc/62/46/54/531624654.db2.gz ZWDMFSXARZIEEH-UHFFFAOYSA-N -1 3 381.332 1.418 20 5 GDBDHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](O)C(F)F ZINC000295819978 531627993 /nfs/dbraw/zinc/62/79/93/531627993.db2.gz UUNOFDSPSZMXJC-KRTXAFLBSA-N -1 3 382.341 1.049 20 5 GDBDHM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416472590 531632923 /nfs/dbraw/zinc/63/29/23/531632923.db2.gz UJKORZZTMLXPCY-MRVPVSSYSA-N -1 3 383.348 1.759 20 5 GDBDHM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269456313 531672931 /nfs/dbraw/zinc/67/29/31/531672931.db2.gz FXYSNSKFHCQTKT-SSDOTTSWSA-N -1 3 381.204 1.445 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NCCF ZINC000281889312 531675844 /nfs/dbraw/zinc/67/58/44/531675844.db2.gz DPPGQWIOHWAAPS-ZETCQYMHSA-N -1 3 398.210 1.110 20 5 GDBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000296538896 531702576 /nfs/dbraw/zinc/70/25/76/531702576.db2.gz BAXVNXDKJKKUEX-UHFFFAOYSA-N -1 3 379.320 1.773 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c1 ZINC000269684957 531713224 /nfs/dbraw/zinc/71/32/24/531713224.db2.gz HBKPWGLHZDHLHX-QMMMGPOBSA-N -1 3 393.137 1.559 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282328000 531739175 /nfs/dbraw/zinc/73/91/75/531739175.db2.gz NUONMGKPRNXWLK-SSDOTTSWSA-N -1 3 398.210 1.110 20 5 GDBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000269841187 531781298 /nfs/dbraw/zinc/78/12/98/531781298.db2.gz YQOWVUPHTYWSJK-LBPRGKRZSA-N -1 3 397.247 1.423 20 5 GDBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC000594766644 531855371 /nfs/dbraw/zinc/85/53/71/531855371.db2.gz PDCHEDBZUXNKGX-LBPRGKRZSA-N -1 3 379.316 1.735 20 5 GDBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(C)n1 ZINC000284777433 531990086 /nfs/dbraw/zinc/99/00/86/531990086.db2.gz WMSSHICQGHGNLO-UHFFFAOYSA-N -1 3 389.231 1.878 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(O)CCN(C)CC2)c1 ZINC000272425892 532097911 /nfs/dbraw/zinc/09/79/11/532097911.db2.gz FRNSKAODSQGKIN-UHFFFAOYSA-N -1 3 377.850 1.292 20 5 GDBDHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CCOC1 ZINC000272559714 532104909 /nfs/dbraw/zinc/10/49/09/532104909.db2.gz VJVJDQZACUCEHF-CYBMUJFWSA-N -1 3 378.790 1.167 20 5 GDBDHM COC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896377 598881621 /nfs/dbraw/zinc/88/16/21/598881621.db2.gz IYINZPNHCFUZKD-INIZCTEOSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896377 598881623 /nfs/dbraw/zinc/88/16/23/598881623.db2.gz IYINZPNHCFUZKD-INIZCTEOSA-N -1 3 398.379 1.787 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(CC(F)(F)C(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000738370130 598915086 /nfs/dbraw/zinc/91/50/86/598915086.db2.gz QHHDQKVEQAGIOH-UHFFFAOYSA-N -1 3 390.301 1.192 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(CC(F)(F)C(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000738370130 598915088 /nfs/dbraw/zinc/91/50/88/598915088.db2.gz QHHDQKVEQAGIOH-UHFFFAOYSA-N -1 3 390.301 1.192 20 5 GDBDHM Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482525 598922748 /nfs/dbraw/zinc/92/27/48/598922748.db2.gz NQPUVUKPBWXIMM-UHFFFAOYSA-N -1 3 391.351 1.338 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000737301920 598949559 /nfs/dbraw/zinc/94/95/59/598949559.db2.gz WUWRAZXCBLRGME-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000737301920 598949560 /nfs/dbraw/zinc/94/95/60/598949560.db2.gz WUWRAZXCBLRGME-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=C1CCCCN1CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000823531155 599084490 /nfs/dbraw/zinc/08/44/90/599084490.db2.gz ZHWCTFWPWCDPPN-UHFFFAOYSA-N -1 3 386.416 1.399 20 5 GDBDHM O=C1CCCCN1CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000823531155 599084493 /nfs/dbraw/zinc/08/44/93/599084493.db2.gz ZHWCTFWPWCDPPN-UHFFFAOYSA-N -1 3 386.416 1.399 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822224149 607331929 /nfs/dbraw/zinc/33/19/29/607331929.db2.gz XWZGWBSGWVTVMW-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822224149 607331930 /nfs/dbraw/zinc/33/19/30/607331930.db2.gz XWZGWBSGWVTVMW-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c2nonc21 ZINC000738369623 598244605 /nfs/dbraw/zinc/24/46/05/598244605.db2.gz KMNHGALIYOPVPI-UHFFFAOYSA-N -1 3 393.367 1.638 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c2nonc21 ZINC000738369623 598244606 /nfs/dbraw/zinc/24/46/06/598244606.db2.gz KMNHGALIYOPVPI-UHFFFAOYSA-N -1 3 393.367 1.638 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c(-c2nnn[n-]2)c1 ZINC000738370549 598389136 /nfs/dbraw/zinc/38/91/36/598389136.db2.gz VRLDOXBRRCZYJI-SNVBAGLBSA-N -1 3 382.388 1.092 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c(-c2nn[n-]n2)c1 ZINC000738370549 598389138 /nfs/dbraw/zinc/38/91/38/598389138.db2.gz VRLDOXBRRCZYJI-SNVBAGLBSA-N -1 3 382.388 1.092 20 5 GDBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000737895841 598416205 /nfs/dbraw/zinc/41/62/05/598416205.db2.gz RSANQIQMOAMABD-UHFFFAOYSA-N -1 3 383.324 1.554 20 5 GDBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738116752 598443657 /nfs/dbraw/zinc/44/36/57/598443657.db2.gz LERUKINZUVNTQY-UHFFFAOYSA-N -1 3 382.336 1.476 20 5 GDBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738116752 598443658 /nfs/dbraw/zinc/44/36/58/598443658.db2.gz LERUKINZUVNTQY-UHFFFAOYSA-N -1 3 382.336 1.476 20 5 GDBDHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737276062 598463182 /nfs/dbraw/zinc/46/31/82/598463182.db2.gz XWSNDUBCEZTTSE-UHFFFAOYSA-N -1 3 391.351 1.916 20 5 GDBDHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737276062 598463184 /nfs/dbraw/zinc/46/31/84/598463184.db2.gz XWSNDUBCEZTTSE-UHFFFAOYSA-N -1 3 391.351 1.916 20 5 GDBDHM CN(C[C@H]1CCCN1c1cccnn1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736793921 598502128 /nfs/dbraw/zinc/50/21/28/598502128.db2.gz OJICLBQDKYDBDN-LLVKDONJSA-N -1 3 382.388 1.065 20 5 GDBDHM 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20 5 GDBDHM CN(Cc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821612495 606176778 /nfs/dbraw/zinc/17/67/78/606176778.db2.gz XQWDYRICAAWTCV-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM CN(Cc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821612495 606176779 /nfs/dbraw/zinc/17/67/79/606176779.db2.gz XQWDYRICAAWTCV-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM COc1cc(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c([N+](=O)[O-])cc1OC ZINC000821713210 606248661 /nfs/dbraw/zinc/24/86/61/606248661.db2.gz RMVLNUNOAHHDSW-UHFFFAOYSA-N -1 3 387.356 1.093 20 5 GDBDHM COc1cc(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c([N+](=O)[O-])cc1OC ZINC000821713210 606248663 /nfs/dbraw/zinc/24/86/63/606248663.db2.gz RMVLNUNOAHHDSW-UHFFFAOYSA-N -1 3 387.356 1.093 20 5 GDBDHM O=[N+]([O-])c1cc(NCc2cccnc2N2CCOCC2)ccc1-c1nnn[n-]1 ZINC000823634732 606645314 /nfs/dbraw/zinc/64/53/14/606645314.db2.gz KXUZKVLJWIKERL-UHFFFAOYSA-N -1 3 382.384 1.619 20 5 GDBDHM O=[N+]([O-])c1cc(NCc2cccnc2N2CCOCC2)ccc1-c1nn[n-]n1 ZINC000823634732 606645315 /nfs/dbraw/zinc/64/53/15/606645315.db2.gz KXUZKVLJWIKERL-UHFFFAOYSA-N -1 3 382.384 1.619 20 5 GDBDHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000820788774 606785539 /nfs/dbraw/zinc/78/55/39/606785539.db2.gz NTKLGNFXHCNGJY-ZDUSSCGKSA-N -1 3 395.427 1.318 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c([N+](=O)[O-])c1 ZINC000821845149 607050754 /nfs/dbraw/zinc/05/07/54/607050754.db2.gz BOJDJYOFNDLCBS-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c([N+](=O)[O-])c1 ZINC000821845149 607050756 /nfs/dbraw/zinc/05/07/56/607050756.db2.gz BOJDJYOFNDLCBS-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000821305165 607102267 /nfs/dbraw/zinc/10/22/67/607102267.db2.gz ZYWGIXNSUIZJAS-UHFFFAOYSA-N -1 3 385.388 1.740 20 5 GDBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000820004999 607118049 /nfs/dbraw/zinc/11/80/49/607118049.db2.gz 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GDBDHM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824466746 608123864 /nfs/dbraw/zinc/12/38/64/608123864.db2.gz YNYNNBIBODXNOR-JTQLQIEISA-N -1 3 393.367 1.380 20 5 GDBDHM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824466746 608123865 /nfs/dbraw/zinc/12/38/65/608123865.db2.gz YNYNNBIBODXNOR-JTQLQIEISA-N -1 3 393.367 1.380 20 5 GDBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000826161679 608139093 /nfs/dbraw/zinc/13/90/93/608139093.db2.gz UYJYYKGOTANQAD-UHFFFAOYSA-N -1 3 399.367 1.756 20 5 GDBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000826161679 608139094 /nfs/dbraw/zinc/13/90/94/608139094.db2.gz UYJYYKGOTANQAD-UHFFFAOYSA-N -1 3 399.367 1.756 20 5 GDBDHM CC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973907 608162185 /nfs/dbraw/zinc/16/21/85/608162185.db2.gz MGSFGGYJPAYQQN-SECBINFHSA-N -1 3 393.791 1.625 20 5 GDBDHM 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20 5 GDBDHM C[C@H]1CN(CCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000277903279 531319774 /nfs/dbraw/zinc/31/97/74/531319774.db2.gz PCLBKBCPNCRUQR-LBPRGKRZSA-N -1 3 375.422 1.513 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCO2)c1 ZINC000447946744 531444397 /nfs/dbraw/zinc/44/43/97/531444397.db2.gz XPHNEMNPXXFMBJ-NEPJUHHUSA-N -1 3 395.231 1.176 20 5 GDBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363197520 531476553 /nfs/dbraw/zinc/47/65/53/531476553.db2.gz OUUBLCRQNVKDIV-GHMZBOCLSA-N -1 3 375.834 1.390 20 5 GDBDHM O=C(Nc1nnc(SCCO)[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542921474 531477275 /nfs/dbraw/zinc/47/72/75/531477275.db2.gz RTGRPTYDYKSSAS-UHFFFAOYSA-N -1 3 375.313 1.651 20 5 GDBDHM O=C(Nc1nc(SCCO)n[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542921474 531477281 /nfs/dbraw/zinc/47/72/81/531477281.db2.gz RTGRPTYDYKSSAS-UHFFFAOYSA-N -1 3 375.313 1.651 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)c1 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Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000286560997 532160196 /nfs/dbraw/zinc/16/01/96/532160196.db2.gz DGOLNJPMYRQVBL-SNVBAGLBSA-N -1 3 396.874 1.660 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286618813 532164864 /nfs/dbraw/zinc/16/48/64/532164864.db2.gz HXEYTIBHMTYTJM-SNVBAGLBSA-N -1 3 396.874 1.660 20 5 GDBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000274288177 532201043 /nfs/dbraw/zinc/20/10/43/532201043.db2.gz DHEXAJKBTKNNBN-LBPRGKRZSA-N -1 3 379.316 1.735 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000275032745 532255418 /nfs/dbraw/zinc/25/54/18/532255418.db2.gz CVRXJGQPYRLVFE-UHFFFAOYSA-N -1 3 375.378 1.033 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000275202921 532276548 /nfs/dbraw/zinc/27/65/48/532276548.db2.gz OBRKLTVXHIUNKA-VIFPVBQESA-N -1 3 375.378 1.030 20 5 GDBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OCCO ZINC000288352735 532283999 /nfs/dbraw/zinc/28/39/99/532283999.db2.gz IXQBMWANXXGJJQ-UHFFFAOYSA-N -1 3 386.348 1.679 20 5 GDBDHM COCCN(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000275634064 532302994 /nfs/dbraw/zinc/30/29/94/532302994.db2.gz JPCBTWDHALSHND-UHFFFAOYSA-N -1 3 396.263 1.214 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC(F)F)c(Br)c1 ZINC000276178702 532321592 /nfs/dbraw/zinc/32/15/92/532321592.db2.gz DWECQOKMJAQWKB-UHFFFAOYSA-N -1 3 389.174 1.917 20 5 GDBDHM O=[N+]([O-])c1cnc(NCC2(N3CCOCC3)CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823651088 599205113 /nfs/dbraw/zinc/20/51/13/599205113.db2.gz FMBORNCSJNHBPN-UHFFFAOYSA-N -1 3 388.432 1.617 20 5 GDBDHM O=C(c1ccccc1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000823494009 599237469 /nfs/dbraw/zinc/23/74/69/599237469.db2.gz ZTJMNADMAORXCJ-UHFFFAOYSA-N -1 3 380.368 1.132 20 5 GDBDHM O=C(c1ccccc1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000823494009 599237471 /nfs/dbraw/zinc/23/74/71/599237471.db2.gz ZTJMNADMAORXCJ-UHFFFAOYSA-N -1 3 380.368 1.132 20 5 GDBDHM COc1cccc(N2C[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2=O)c1 ZINC000737139595 598248108 /nfs/dbraw/zinc/24/81/08/598248108.db2.gz MJXPCXXPGSCARN-JTQLQIEISA-N -1 3 396.367 1.396 20 5 GDBDHM COc1cccc(N2C[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2=O)c1 ZINC000737139595 598248109 /nfs/dbraw/zinc/24/81/09/598248109.db2.gz MJXPCXXPGSCARN-JTQLQIEISA-N -1 3 396.367 1.396 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737052384 598271943 /nfs/dbraw/zinc/27/19/43/598271943.db2.gz SKDJZONKNDMRBC-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737052384 598271945 /nfs/dbraw/zinc/27/19/45/598271945.db2.gz SKDJZONKNDMRBC-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM Cc1nn(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1[N+](=O)[O-] ZINC000737513644 598279431 /nfs/dbraw/zinc/27/94/31/598279431.db2.gz RENVTQVXPSWGIA-UHFFFAOYSA-N -1 3 388.363 1.780 20 5 GDBDHM Cc1nn(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1[N+](=O)[O-] ZINC000737513644 598279433 /nfs/dbraw/zinc/27/94/33/598279433.db2.gz RENVTQVXPSWGIA-UHFFFAOYSA-N -1 3 388.363 1.780 20 5 GDBDHM COc1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737082947 598297145 /nfs/dbraw/zinc/29/71/45/598297145.db2.gz NATMTSXVQHKFKF-UHFFFAOYSA-N -1 3 386.343 1.782 20 5 GDBDHM COc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737082947 598297148 /nfs/dbraw/zinc/29/71/48/598297148.db2.gz NATMTSXVQHKFKF-UHFFFAOYSA-N -1 3 386.343 1.782 20 5 GDBDHM Cc1nn(CCC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513808 598328156 /nfs/dbraw/zinc/32/81/56/598328156.db2.gz UNMBDWYLLZAGKT-JTQLQIEISA-N -1 3 384.400 1.856 20 5 GDBDHM Cc1nn(CCC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513808 598328158 /nfs/dbraw/zinc/32/81/58/598328158.db2.gz UNMBDWYLLZAGKT-JTQLQIEISA-N -1 3 384.400 1.856 20 5 GDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736828056 598401659 /nfs/dbraw/zinc/40/16/59/598401659.db2.gz GEBUPVRINGBWRM-UHFFFAOYSA-N -1 3 395.379 1.163 20 5 GDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736828056 598401660 /nfs/dbraw/zinc/40/16/60/598401660.db2.gz GEBUPVRINGBWRM-UHFFFAOYSA-N -1 3 395.379 1.163 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737411886 598482435 /nfs/dbraw/zinc/48/24/35/598482435.db2.gz RBEASDCGBHVYBQ-UHFFFAOYSA-N -1 3 383.324 1.274 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737411886 598482436 /nfs/dbraw/zinc/48/24/36/598482436.db2.gz RBEASDCGBHVYBQ-UHFFFAOYSA-N -1 3 383.324 1.274 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(c3nnc4n3CCC4)CC2)c(-c2nnn[n-]2)c1 ZINC000738370604 598499738 /nfs/dbraw/zinc/49/97/38/598499738.db2.gz WPABZEIMBFFGCT-UHFFFAOYSA-N -1 3 382.388 1.092 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(c3nnc4n3CCC4)CC2)c(-c2nn[n-]n2)c1 ZINC000738370604 598499740 /nfs/dbraw/zinc/49/97/40/598499740.db2.gz WPABZEIMBFFGCT-UHFFFAOYSA-N -1 3 382.388 1.092 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(C[C@H](O)c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370217 598503225 /nfs/dbraw/zinc/50/32/25/598503225.db2.gz RPCPGVDCCUBRGZ-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccccc1F ZINC000738358095 598555396 /nfs/dbraw/zinc/55/53/96/598555396.db2.gz KYISOEWBYYNFEW-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccccc1F ZINC000738358095 598555397 /nfs/dbraw/zinc/55/53/97/598555397.db2.gz KYISOEWBYYNFEW-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741060 598569537 /nfs/dbraw/zinc/56/95/37/598569537.db2.gz MDAVUFDPPQMBAB-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741060 598569539 /nfs/dbraw/zinc/56/95/39/598569539.db2.gz MDAVUFDPPQMBAB-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738211871 598584003 /nfs/dbraw/zinc/58/40/03/598584003.db2.gz AAYZXZQMYMHJPK-OAHLLOKOSA-N -1 3 394.347 1.737 20 5 GDBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738211871 598584005 /nfs/dbraw/zinc/58/40/05/598584005.db2.gz AAYZXZQMYMHJPK-OAHLLOKOSA-N -1 3 394.347 1.737 20 5 GDBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736296207 598601846 /nfs/dbraw/zinc/60/18/46/598601846.db2.gz GCLUMPHLDDXAAJ-LBPRGKRZSA-N -1 3 393.407 1.842 20 5 GDBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736296207 598601848 /nfs/dbraw/zinc/60/18/48/598601848.db2.gz GCLUMPHLDDXAAJ-LBPRGKRZSA-N -1 3 393.407 1.842 20 5 GDBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000736637703 598661419 /nfs/dbraw/zinc/66/14/19/598661419.db2.gz YNYDCOYTBNWGBB-UHFFFAOYSA-N -1 3 385.340 1.830 20 5 GDBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000736637703 598661421 /nfs/dbraw/zinc/66/14/21/598661421.db2.gz YNYDCOYTBNWGBB-UHFFFAOYSA-N -1 3 385.340 1.830 20 5 GDBDHM Cc1nn(C)c(C)c1CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737512250 598673197 /nfs/dbraw/zinc/67/31/97/598673197.db2.gz SXKQIRUULOTIAI-UHFFFAOYSA-N -1 3 397.443 1.447 20 5 GDBDHM Cc1nn(C)c(C)c1CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737512250 598673198 /nfs/dbraw/zinc/67/31/98/598673198.db2.gz SXKQIRUULOTIAI-UHFFFAOYSA-N -1 3 397.443 1.447 20 5 GDBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000469212636 599320452 /nfs/dbraw/zinc/32/04/52/599320452.db2.gz LKKLKOCMJUVARS-CYBMUJFWSA-N -1 3 399.415 1.324 20 5 GDBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000469212636 599320454 /nfs/dbraw/zinc/32/04/54/599320454.db2.gz LKKLKOCMJUVARS-CYBMUJFWSA-N -1 3 399.415 1.324 20 5 GDBDHM CCc1nc(CN2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)no1 ZINC000736703604 599350373 /nfs/dbraw/zinc/35/03/73/599350373.db2.gz DIOHVQIKVYBWKC-UHFFFAOYSA-N -1 3 385.388 1.043 20 5 GDBDHM CCc1nc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)no1 ZINC000736703604 599350375 /nfs/dbraw/zinc/35/03/75/599350375.db2.gz DIOHVQIKVYBWKC-UHFFFAOYSA-N -1 3 385.388 1.043 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823223777 599457186 /nfs/dbraw/zinc/45/71/86/599457186.db2.gz IRRRIXDAEUVZAQ-UHFFFAOYSA-N -1 3 385.359 1.956 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823223777 599457187 /nfs/dbraw/zinc/45/71/87/599457187.db2.gz IRRRIXDAEUVZAQ-UHFFFAOYSA-N -1 3 385.359 1.956 20 5 GDBDHM O=C1CCC(=O)N1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823525316 599542836 /nfs/dbraw/zinc/54/28/36/599542836.db2.gz LZIAIYYNTUBUBW-UHFFFAOYSA-N -1 3 396.367 1.274 20 5 GDBDHM O=C1CCC(=O)N1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823525316 599542838 /nfs/dbraw/zinc/54/28/38/599542838.db2.gz LZIAIYYNTUBUBW-UHFFFAOYSA-N -1 3 396.367 1.274 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823224170 599613481 /nfs/dbraw/zinc/61/34/81/599613481.db2.gz RUKLZDIQZHNIGL-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823224170 599613483 /nfs/dbraw/zinc/61/34/83/599613483.db2.gz RUKLZDIQZHNIGL-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM Cc1nn(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000826335095 607423989 /nfs/dbraw/zinc/42/39/89/607423989.db2.gz YBXPVEDDOYNMEM-UHFFFAOYSA-N -1 3 396.411 1.784 20 5 GDBDHM Cc1nn(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000826335095 607423990 /nfs/dbraw/zinc/42/39/90/607423990.db2.gz YBXPVEDDOYNMEM-UHFFFAOYSA-N -1 3 396.411 1.784 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(O)c3)CC2)cc1-c1nnn[n-]1 ZINC000826498790 607452406 /nfs/dbraw/zinc/45/24/06/607452406.db2.gz JRWQSJHLLOTKND-UHFFFAOYSA-N -1 3 381.396 1.803 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(O)c3)CC2)cc1-c1nn[n-]n1 ZINC000826498790 607452407 /nfs/dbraw/zinc/45/24/07/607452407.db2.gz JRWQSJHLLOTKND-UHFFFAOYSA-N -1 3 381.396 1.803 20 5 GDBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1CC(F)(F)F ZINC000823512177 607470652 /nfs/dbraw/zinc/47/06/52/607470652.db2.gz LWXFTYQOBHWTSA-NSHDSACASA-N -1 3 385.306 1.740 20 5 GDBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1CC(F)(F)F ZINC000823512177 607470653 /nfs/dbraw/zinc/47/06/53/607470653.db2.gz LWXFTYQOBHWTSA-NSHDSACASA-N -1 3 385.306 1.740 20 5 GDBDHM Cc1cccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826304149 607576190 /nfs/dbraw/zinc/57/61/90/607576190.db2.gz YOLOZKZLOISIMR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826499549 607599748 /nfs/dbraw/zinc/59/97/48/607599748.db2.gz MXLWBYADQFVXPM-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM COc1ccc(COC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1-c1nnn[n-]1 ZINC000826205122 607603841 /nfs/dbraw/zinc/60/38/41/607603841.db2.gz LGEYAHJXRKWWTQ-UHFFFAOYSA-N -1 3 387.356 1.422 20 5 GDBDHM COc1ccc(COC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1-c1nn[n-]n1 ZINC000826205122 607603842 /nfs/dbraw/zinc/60/38/42/607603842.db2.gz LGEYAHJXRKWWTQ-UHFFFAOYSA-N -1 3 387.356 1.422 20 5 GDBDHM O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409656 607656957 /nfs/dbraw/zinc/65/69/57/607656957.db2.gz JMLGVJVHCXAOHD-UHFFFAOYSA-N -1 3 378.304 1.254 20 5 GDBDHM O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409656 607656959 /nfs/dbraw/zinc/65/69/59/607656959.db2.gz JMLGVJVHCXAOHD-UHFFFAOYSA-N -1 3 378.304 1.254 20 5 GDBDHM CCN(CC)CC(=O)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829671613 604263102 /nfs/dbraw/zinc/26/31/02/604263102.db2.gz HMOQUPJFMAROJR-UHFFFAOYSA-N -1 3 398.847 1.937 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)nc1 ZINC000826498775 607728829 /nfs/dbraw/zinc/72/88/29/607728829.db2.gz JHHBVICVDPBRIN-LLVKDONJSA-N -1 3 397.355 1.769 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nc1 ZINC000826498775 607728832 /nfs/dbraw/zinc/72/88/32/607728832.db2.gz JHHBVICVDPBRIN-LLVKDONJSA-N -1 3 397.355 1.769 20 5 GDBDHM Cc1cc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)ncc1[N+](=O)[O-] ZINC000822206951 606036197 /nfs/dbraw/zinc/03/61/97/606036197.db2.gz FLWGYYZNBMKLPE-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM Cc1cc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)ncc1[N+](=O)[O-] ZINC000822206951 606036203 /nfs/dbraw/zinc/03/62/03/606036203.db2.gz FLWGYYZNBMKLPE-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(c3cc(F)ccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000823652193 606109123 /nfs/dbraw/zinc/10/91/23/606109123.db2.gz WLOKIVHBMWJHPZ-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(c3cc(F)ccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000823652193 606109125 /nfs/dbraw/zinc/10/91/25/606109125.db2.gz WLOKIVHBMWJHPZ-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000823060533 606225576 /nfs/dbraw/zinc/22/55/76/606225576.db2.gz GIAAZTWFIZVRGS-UHFFFAOYSA-N -1 3 389.397 1.448 20 5 GDBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000823060533 606225578 /nfs/dbraw/zinc/22/55/78/606225578.db2.gz GIAAZTWFIZVRGS-UHFFFAOYSA-N -1 3 389.397 1.448 20 5 GDBDHM COC(=O)[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648402 606364246 /nfs/dbraw/zinc/36/42/46/606364246.db2.gz JGTXPGZKFDCNLX-MRXNPFEDSA-N -1 3 397.347 1.775 20 5 GDBDHM COC(=O)[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648402 606364248 /nfs/dbraw/zinc/36/42/48/606364248.db2.gz JGTXPGZKFDCNLX-MRXNPFEDSA-N -1 3 397.347 1.775 20 5 GDBDHM CSC[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821956113 606467294 /nfs/dbraw/zinc/46/72/94/606467294.db2.gz HJOZEPNBVPCZFL-OAHLLOKOSA-N -1 3 375.414 1.849 20 5 GDBDHM CSC[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821956113 606467295 /nfs/dbraw/zinc/46/72/95/606467295.db2.gz HJOZEPNBVPCZFL-OAHLLOKOSA-N -1 3 375.414 1.849 20 5 GDBDHM CS(=O)(=O)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821931746 606474294 /nfs/dbraw/zinc/47/42/94/606474294.db2.gz HAZMEHPFRWNLEF-UHFFFAOYSA-N -1 3 389.397 1.327 20 5 GDBDHM CS(=O)(=O)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821931746 606474296 /nfs/dbraw/zinc/47/42/96/606474296.db2.gz HAZMEHPFRWNLEF-UHFFFAOYSA-N -1 3 389.397 1.327 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823657902 606693865 /nfs/dbraw/zinc/69/38/65/606693865.db2.gz WLAQIYLPLWNFOG-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823657902 606693866 /nfs/dbraw/zinc/69/38/66/606693866.db2.gz WLAQIYLPLWNFOG-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM COc1ccc(-n2cc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)nn2)cc1 ZINC000821769704 606725050 /nfs/dbraw/zinc/72/50/50/606725050.db2.gz JXSXSRPHHMAHPZ-UHFFFAOYSA-N -1 3 393.367 1.976 20 5 GDBDHM COc1ccc(-n2cc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)nn2)cc1 ZINC000821769704 606725052 /nfs/dbraw/zinc/72/50/52/606725052.db2.gz JXSXSRPHHMAHPZ-UHFFFAOYSA-N -1 3 393.367 1.976 20 5 GDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823551213 606848366 /nfs/dbraw/zinc/84/83/66/606848366.db2.gz JGPREAFZRRQNLH-AWEZNQCLSA-N -1 3 380.320 1.105 20 5 GDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823551213 606848367 /nfs/dbraw/zinc/84/83/67/606848367.db2.gz JGPREAFZRRQNLH-AWEZNQCLSA-N -1 3 380.320 1.105 20 5 GDBDHM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820628522 606876903 /nfs/dbraw/zinc/87/69/03/606876903.db2.gz GFAXQEUGQHJDLR-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820628522 606876906 /nfs/dbraw/zinc/87/69/06/606876906.db2.gz GFAXQEUGQHJDLR-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000822222763 607050050 /nfs/dbraw/zinc/05/00/50/607050050.db2.gz SHTPQWVYGNFQRZ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000822222763 607050052 /nfs/dbraw/zinc/05/00/52/607050052.db2.gz SHTPQWVYGNFQRZ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccccc1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822361501 607163404 /nfs/dbraw/zinc/16/34/04/607163404.db2.gz CTRCXGJNVVIWGX-UHFFFAOYSA-N -1 3 380.412 1.801 20 5 GDBDHM Cc1cnc(CN(C)[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)o1 ZINC000822389339 607174696 /nfs/dbraw/zinc/17/46/96/607174696.db2.gz SOIDRCCBZGYSKX-LLVKDONJSA-N -1 3 385.388 1.177 20 5 GDBDHM Cc1cnc(CN(C)[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)o1 ZINC000822389339 607174697 /nfs/dbraw/zinc/17/46/97/607174697.db2.gz SOIDRCCBZGYSKX-LLVKDONJSA-N -1 3 385.388 1.177 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccc(F)cc1 ZINC000826497750 607869582 /nfs/dbraw/zinc/86/95/82/607869582.db2.gz SSJHCQMGGNYGFJ-LBPRGKRZSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccc(F)cc1 ZINC000826497750 607869583 /nfs/dbraw/zinc/86/95/83/607869583.db2.gz SSJHCQMGGNYGFJ-LBPRGKRZSA-N -1 3 375.316 1.733 20 5 GDBDHM COc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826199827 607980308 /nfs/dbraw/zinc/98/03/08/607980308.db2.gz NQJJWVYNERQVEE-UHFFFAOYSA-N -1 3 397.395 1.825 20 5 GDBDHM COc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826199827 607980309 /nfs/dbraw/zinc/98/03/09/607980309.db2.gz NQJJWVYNERQVEE-UHFFFAOYSA-N -1 3 397.395 1.825 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826423489 608080599 /nfs/dbraw/zinc/08/05/99/608080599.db2.gz RCMQKYTVWFAUOO-QGZVFWFLSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826423489 608080600 /nfs/dbraw/zinc/08/06/00/608080600.db2.gz RCMQKYTVWFAUOO-QGZVFWFLSA-N -1 3 394.391 1.918 20 5 GDBDHM Cc1nn(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000826334080 608387715 /nfs/dbraw/zinc/38/77/15/608387715.db2.gz HCANJCZXLSSPHL-UHFFFAOYSA-N -1 3 376.764 1.880 20 5 GDBDHM Cc1nn(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000826334080 608387717 /nfs/dbraw/zinc/38/77/17/608387717.db2.gz HCANJCZXLSSPHL-UHFFFAOYSA-N -1 3 376.764 1.880 20 5 GDBDHM Cn1cnnc1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826365974 608444075 /nfs/dbraw/zinc/44/40/75/608444075.db2.gz MOIHHOPWYYYAKJ-AWEZNQCLSA-N -1 3 392.383 1.793 20 5 GDBDHM Cn1cnnc1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826365974 608444077 /nfs/dbraw/zinc/44/40/77/608444077.db2.gz MOIHHOPWYYYAKJ-AWEZNQCLSA-N -1 3 392.383 1.793 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826327635 608572189 /nfs/dbraw/zinc/57/21/89/608572189.db2.gz OPANLVCFNUMPFO-UHFFFAOYSA-N -1 3 383.372 1.192 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826327635 608572190 /nfs/dbraw/zinc/57/21/90/608572190.db2.gz OPANLVCFNUMPFO-UHFFFAOYSA-N -1 3 383.372 1.192 20 5 GDBDHM Cc1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000826287781 608835872 /nfs/dbraw/zinc/83/58/72/608835872.db2.gz CUBFAAYENWUTEC-ZDUSSCGKSA-N -1 3 395.427 1.584 20 5 GDBDHM Cc1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000826287781 608835877 /nfs/dbraw/zinc/83/58/77/608835877.db2.gz CUBFAAYENWUTEC-ZDUSSCGKSA-N -1 3 395.427 1.584 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212246 609207836 /nfs/dbraw/zinc/20/78/36/609207836.db2.gz KXAVXNDNHRMKSW-OAHLLOKOSA-N -1 3 384.352 1.133 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212246 609207837 /nfs/dbraw/zinc/20/78/37/609207837.db2.gz KXAVXNDNHRMKSW-OAHLLOKOSA-N -1 3 384.352 1.133 20 5 GDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436538 609236069 /nfs/dbraw/zinc/23/60/69/609236069.db2.gz XLBJSJNHEASHDP-QGZVFWFLSA-N -1 3 396.407 1.947 20 5 GDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436538 609236070 /nfs/dbraw/zinc/23/60/70/609236070.db2.gz XLBJSJNHEASHDP-QGZVFWFLSA-N -1 3 396.407 1.947 20 5 GDBDHM CC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)N1CCCC1=O ZINC000825039755 609236906 /nfs/dbraw/zinc/23/69/06/609236906.db2.gz VSVWPQZCCNYHTB-SNVBAGLBSA-N -1 3 393.791 1.768 20 5 GDBDHM CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)N1CCCC1=O ZINC000825039755 609236907 /nfs/dbraw/zinc/23/69/07/609236907.db2.gz VSVWPQZCCNYHTB-SNVBAGLBSA-N -1 3 393.791 1.768 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cn1 ZINC000826499140 609460068 /nfs/dbraw/zinc/46/00/68/609460068.db2.gz XCNDVIMYKHWQJV-UHFFFAOYSA-N -1 3 392.383 1.144 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cn1 ZINC000826499140 609460071 /nfs/dbraw/zinc/46/00/71/609460071.db2.gz XCNDVIMYKHWQJV-UHFFFAOYSA-N -1 3 392.383 1.144 20 5 GDBDHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc([N+](=O)[O-])o1 ZINC000826462460 609461651 /nfs/dbraw/zinc/46/16/51/609461651.db2.gz YWNSXQKUVLCSRX-GFCCVEGCSA-N -1 3 398.335 1.720 20 5 GDBDHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc([N+](=O)[O-])o1 ZINC000826462460 609461652 /nfs/dbraw/zinc/46/16/52/609461652.db2.gz YWNSXQKUVLCSRX-GFCCVEGCSA-N -1 3 398.335 1.720 20 5 GDBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1Cc1ccccn1 ZINC000826477928 609593613 /nfs/dbraw/zinc/59/36/13/609593613.db2.gz POMAGAFVDOQJRE-INIZCTEOSA-N -1 3 394.395 1.773 20 5 GDBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1Cc1ccccn1 ZINC000826477928 609593615 /nfs/dbraw/zinc/59/36/15/609593615.db2.gz POMAGAFVDOQJRE-INIZCTEOSA-N -1 3 394.395 1.773 20 5 GDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000544101862 650434588 /nfs/dbraw/zinc/43/45/88/650434588.db2.gz SAOPCEWMZCDZEP-UHFFFAOYSA-N -1 3 386.407 1.930 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2(O)CCCC2)c1 ZINC000158337506 644835274 /nfs/dbraw/zinc/83/52/74/644835274.db2.gz HKYKIJICGIWVLE-UHFFFAOYSA-N -1 3 379.232 1.941 20 5 GDBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000499781796 648092916 /nfs/dbraw/zinc/09/29/16/648092916.db2.gz TZYDPSVCZODLNA-UHFFFAOYSA-N -1 3 383.411 1.936 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCSCC1 ZINC000503870767 648199031 /nfs/dbraw/zinc/19/90/31/648199031.db2.gz KDRYYSPMDHDUSN-UHFFFAOYSA-N -1 3 388.467 1.496 20 5 GDBDHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)N(CC)CC ZINC000778650635 654745507 /nfs/dbraw/zinc/74/55/07/654745507.db2.gz LFHXPULGQDLSBX-NSHDSACASA-N -1 3 392.865 1.756 20 5 GDBDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783981710 654874928 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ZINC000289481351 532325589 /nfs/dbraw/zinc/32/55/89/532325589.db2.gz IHGSXOASWOLKKP-ONGXEEELSA-N -1 3 381.204 1.049 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738367973 598871506 /nfs/dbraw/zinc/87/15/06/598871506.db2.gz AGFQUDCTHWKKIJ-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737224346 599006533 /nfs/dbraw/zinc/00/65/33/599006533.db2.gz RRZIGRPUHKJLJZ-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737224346 599006535 /nfs/dbraw/zinc/00/65/35/599006535.db2.gz RRZIGRPUHKJLJZ-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccnc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000737438182 599051544 /nfs/dbraw/zinc/05/15/44/599051544.db2.gz ZLPQDJJXBKEXLL-UHFFFAOYSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1ccnc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000737438182 599051547 /nfs/dbraw/zinc/05/15/47/599051547.db2.gz ZLPQDJJXBKEXLL-UHFFFAOYSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1cc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000822207467 599083774 /nfs/dbraw/zinc/08/37/74/599083774.db2.gz XOWUJCCWIHUGDW-LBPRGKRZSA-N -1 3 383.372 1.034 20 5 GDBDHM Cc1cc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000822207467 599083779 /nfs/dbraw/zinc/08/37/79/599083779.db2.gz XOWUJCCWIHUGDW-LBPRGKRZSA-N -1 3 383.372 1.034 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737411693 599116245 /nfs/dbraw/zinc/11/62/45/599116245.db2.gz NZEQVOFDCOQPEQ-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737411693 599116247 /nfs/dbraw/zinc/11/62/47/599116247.db2.gz NZEQVOFDCOQPEQ-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000737237971 599125136 /nfs/dbraw/zinc/12/51/36/599125136.db2.gz FWLNDNPMEDMITI-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000737237971 599125137 /nfs/dbraw/zinc/12/51/37/599125137.db2.gz FWLNDNPMEDMITI-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000736025453 599269407 /nfs/dbraw/zinc/26/94/07/599269407.db2.gz GSZSARVQYPYHKO-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000736025453 599269409 /nfs/dbraw/zinc/26/94/09/599269409.db2.gz GSZSARVQYPYHKO-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM O=C([O-])c1cccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000821552590 598203573 /nfs/dbraw/zinc/20/35/73/598203573.db2.gz MHRXDWKHTGDVCV-UHFFFAOYSA-N -1 3 379.394 1.361 20 5 GDBDHM NS(=O)(=O)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737765960 598377520 /nfs/dbraw/zinc/37/75/20/598377520.db2.gz RQJVCYYGCCNGNU-UHFFFAOYSA-N -1 3 389.397 1.176 20 5 GDBDHM NS(=O)(=O)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737765960 598377521 /nfs/dbraw/zinc/37/75/21/598377521.db2.gz RQJVCYYGCCNGNU-UHFFFAOYSA-N -1 3 389.397 1.176 20 5 GDBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cn2)C[C@@H](C)O1 ZINC000736294291 598498545 /nfs/dbraw/zinc/49/85/45/598498545.db2.gz QRLSJGIGNLYJMV-GHMZBOCLSA-N -1 3 397.399 1.922 20 5 GDBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cn2)C[C@@H](C)O1 ZINC000736294291 598498547 /nfs/dbraw/zinc/49/85/47/598498547.db2.gz QRLSJGIGNLYJMV-GHMZBOCLSA-N -1 3 397.399 1.922 20 5 GDBDHM CCc1c(C)sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000736669744 598513760 /nfs/dbraw/zinc/51/37/60/598513760.db2.gz JDFHDXGCDHSGTP-UHFFFAOYSA-N -1 3 376.402 1.933 20 5 GDBDHM CCc1c(C)sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000736669744 598513762 /nfs/dbraw/zinc/51/37/62/598513762.db2.gz JDFHDXGCDHSGTP-UHFFFAOYSA-N -1 3 376.402 1.933 20 5 GDBDHM CCN(C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000736513255 598556370 /nfs/dbraw/zinc/55/63/70/598556370.db2.gz XASPYBRHJSMWSA-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM CCN(C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000736513255 598556372 /nfs/dbraw/zinc/55/63/72/598556372.db2.gz XASPYBRHJSMWSA-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM O=[N+]([O-])c1ccc(Nc2ccn(CCN3CCOCC3)n2)c(-c2nnn[n-]2)c1 ZINC000738368028 598559526 /nfs/dbraw/zinc/55/95/26/598559526.db2.gz YTNSRCCGVKADEZ-UHFFFAOYSA-N -1 3 385.388 1.047 20 5 GDBDHM O=[N+]([O-])c1ccc(Nc2ccn(CCN3CCOCC3)n2)c(-c2nn[n-]n2)c1 ZINC000738368028 598559527 /nfs/dbraw/zinc/55/95/27/598559527.db2.gz YTNSRCCGVKADEZ-UHFFFAOYSA-N -1 3 385.388 1.047 20 5 GDBDHM CN(Cc1c(F)cccc1[N+](=O)[O-])S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736813431 598757102 /nfs/dbraw/zinc/75/71/02/598757102.db2.gz BRWLJTKJNLXXQT-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM CN(Cc1c(F)cccc1[N+](=O)[O-])S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736813431 598757104 /nfs/dbraw/zinc/75/71/04/598757104.db2.gz BRWLJTKJNLXXQT-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM CC(C)OC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735894817 598794977 /nfs/dbraw/zinc/79/49/77/598794977.db2.gz MSTOZKDZVCHDSS-UHFFFAOYSA-N -1 3 376.377 1.591 20 5 GDBDHM CC(C)OC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735894817 598794978 /nfs/dbraw/zinc/79/49/78/598794978.db2.gz MSTOZKDZVCHDSS-UHFFFAOYSA-N -1 3 376.377 1.591 20 5 GDBDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735589582 598795215 /nfs/dbraw/zinc/79/52/15/598795215.db2.gz MOHGSYQDXLHHLB-NSHDSACASA-N -1 3 388.432 1.549 20 5 GDBDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735589582 598795216 /nfs/dbraw/zinc/79/52/16/598795216.db2.gz MOHGSYQDXLHHLB-NSHDSACASA-N -1 3 388.432 1.549 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000821732486 607369315 /nfs/dbraw/zinc/36/93/15/607369315.db2.gz OPKVLCUVPYTDRG-UHFFFAOYSA-N -1 3 385.384 1.800 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000821732486 607369316 /nfs/dbraw/zinc/36/93/16/607369316.db2.gz OPKVLCUVPYTDRG-UHFFFAOYSA-N -1 3 385.384 1.800 20 5 GDBDHM O=C1OCCN1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823551031 599525561 /nfs/dbraw/zinc/52/55/61/599525561.db2.gz CDYMXNCIKKRAJS-UHFFFAOYSA-N -1 3 384.356 1.577 20 5 GDBDHM O=C1OCCN1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823551031 599525563 /nfs/dbraw/zinc/52/55/63/599525563.db2.gz CDYMXNCIKKRAJS-UHFFFAOYSA-N -1 3 384.356 1.577 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(CCOc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826499219 607451035 /nfs/dbraw/zinc/45/10/35/607451035.db2.gz ZZAGDLCJIALKSH-UHFFFAOYSA-N -1 3 395.423 1.976 20 5 GDBDHM Cc1cc(S(=O)(=O)NCCCN2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000738479622 600633179 /nfs/dbraw/zinc/63/31/79/600633179.db2.gz WGBNPQSRFWPZJS-UHFFFAOYSA-N -1 3 385.442 1.368 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000832097871 601049637 /nfs/dbraw/zinc/04/96/37/601049637.db2.gz PCSQWMPJZFXMHG-UHFFFAOYSA-N -1 3 381.385 1.498 20 5 GDBDHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824422176 607542544 /nfs/dbraw/zinc/54/25/44/607542544.db2.gz YEWNKABQCDGVOM-VIFPVBQESA-N -1 3 378.393 1.743 20 5 GDBDHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824422176 607542545 /nfs/dbraw/zinc/54/25/45/607542545.db2.gz YEWNKABQCDGVOM-VIFPVBQESA-N -1 3 378.393 1.743 20 5 GDBDHM CC(=O)N1CCCN([C@@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]2C)CC1 ZINC000833394412 605192060 /nfs/dbraw/zinc/19/20/60/605192060.db2.gz YEZVGWDPRBFION-SCLBCKFNSA-N -1 3 390.440 1.672 20 5 GDBDHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833591788 605400136 /nfs/dbraw/zinc/40/01/36/605400136.db2.gz NEGKUENFKOATJY-XQQFMLRXSA-N -1 3 399.469 1.938 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823380172 606126687 /nfs/dbraw/zinc/12/66/87/606126687.db2.gz RQTUPPVOMLUEDT-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823380172 606126688 /nfs/dbraw/zinc/12/66/88/606126688.db2.gz RQTUPPVOMLUEDT-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2nnn[n-]2)c1 ZINC000823648046 606423555 /nfs/dbraw/zinc/42/35/55/606423555.db2.gz SHRLKRNPQZXNBB-SNVBAGLBSA-N -1 3 383.372 1.814 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2nn[n-]n2)c1 ZINC000823648046 606423557 /nfs/dbraw/zinc/42/35/57/606423557.db2.gz SHRLKRNPQZXNBB-SNVBAGLBSA-N -1 3 383.372 1.814 20 5 GDBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822472358 606746661 /nfs/dbraw/zinc/74/66/61/606746661.db2.gz QHKNSUDAELNAII-UHFFFAOYSA-N -1 3 379.283 1.415 20 5 GDBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822472358 606746663 /nfs/dbraw/zinc/74/66/63/606746663.db2.gz QHKNSUDAELNAII-UHFFFAOYSA-N -1 3 379.283 1.415 20 5 GDBDHM O=C1COc2cc([N+](=O)[O-])c(NCCNc3ccc(-c4nnn[n-]4)cn3)cc2N1 ZINC000823540473 606787669 /nfs/dbraw/zinc/78/76/69/606787669.db2.gz GFCGLJZQIKSMDP-UHFFFAOYSA-N -1 3 397.355 1.025 20 5 GDBDHM O=C1COc2cc([N+](=O)[O-])c(NCCNc3ccc(-c4nn[n-]n4)cn3)cc2N1 ZINC000823540473 606787671 /nfs/dbraw/zinc/78/76/71/606787671.db2.gz GFCGLJZQIKSMDP-UHFFFAOYSA-N -1 3 397.355 1.025 20 5 GDBDHM O=c1c(Br)cn(-c2ncc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000823657491 606882774 /nfs/dbraw/zinc/88/27/74/606882774.db2.gz PWRBQULZCMVZGV-UHFFFAOYSA-N -1 3 398.564 1.737 20 5 GDBDHM O=c1c(Br)cn(-c2ncc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000823657491 606882775 /nfs/dbraw/zinc/88/27/75/606882775.db2.gz PWRBQULZCMVZGV-UHFFFAOYSA-N -1 3 398.564 1.737 20 5 GDBDHM C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820628652 606888329 /nfs/dbraw/zinc/88/83/29/606888329.db2.gz KLCQZKXKRGNYAJ-SFHVURJKSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820628652 606888331 /nfs/dbraw/zinc/88/83/31/606888331.db2.gz KLCQZKXKRGNYAJ-SFHVURJKSA-N -1 3 393.363 1.742 20 5 GDBDHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823040322 607171599 /nfs/dbraw/zinc/17/15/99/607171599.db2.gz HUNGOGLQHDDVBW-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823040322 607171600 /nfs/dbraw/zinc/17/16/00/607171600.db2.gz HUNGOGLQHDDVBW-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822459549 607190184 /nfs/dbraw/zinc/19/01/84/607190184.db2.gz RVAZANAJCLWWOA-UHFFFAOYSA-N -1 3 376.764 1.962 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822459549 607190185 /nfs/dbraw/zinc/19/01/85/607190185.db2.gz RVAZANAJCLWWOA-UHFFFAOYSA-N -1 3 376.764 1.962 20 5 GDBDHM O=[N+]([O-])c1cnn(C[C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826500551 607843255 /nfs/dbraw/zinc/84/32/55/607843255.db2.gz BTDDQKDPBJBXJC-SNVBAGLBSA-N -1 3 381.805 1.778 20 5 GDBDHM O=[N+]([O-])c1cnn(C[C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826500551 607843256 /nfs/dbraw/zinc/84/32/56/607843256.db2.gz BTDDQKDPBJBXJC-SNVBAGLBSA-N -1 3 381.805 1.778 20 5 GDBDHM Cc1nn(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(C)c1[N+](=O)[O-] ZINC000826334912 608054819 /nfs/dbraw/zinc/05/48/19/608054819.db2.gz OYZKHDSXGGLOGV-OAHLLOKOSA-N -1 3 384.400 1.619 20 5 GDBDHM Cc1nn(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(C)c1[N+](=O)[O-] ZINC000826334912 608054820 /nfs/dbraw/zinc/05/48/20/608054820.db2.gz OYZKHDSXGGLOGV-OAHLLOKOSA-N -1 3 384.400 1.619 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474045 608084361 /nfs/dbraw/zinc/08/43/61/608084361.db2.gz YKOIGYSTKUDUEW-INIZCTEOSA-N -1 3 380.364 1.989 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474045 608084362 /nfs/dbraw/zinc/08/43/62/608084362.db2.gz YKOIGYSTKUDUEW-INIZCTEOSA-N -1 3 380.364 1.989 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000826173446 608264231 /nfs/dbraw/zinc/26/42/31/608264231.db2.gz DUYGYFSNSYNEPA-UHFFFAOYSA-N -1 3 380.162 1.791 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000826173446 608264234 /nfs/dbraw/zinc/26/42/34/608264234.db2.gz DUYGYFSNSYNEPA-UHFFFAOYSA-N -1 3 380.162 1.791 20 5 GDBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000824255370 608279835 /nfs/dbraw/zinc/27/98/35/608279835.db2.gz HFKXNJNMOSPRPV-UHFFFAOYSA-N -1 3 384.400 1.807 20 5 GDBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000824255370 608279836 /nfs/dbraw/zinc/27/98/36/608279836.db2.gz HFKXNJNMOSPRPV-UHFFFAOYSA-N -1 3 384.400 1.807 20 5 GDBDHM O=[N+]([O-])c1cnc2ccc(N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)nn21 ZINC000826500634 608439506 /nfs/dbraw/zinc/43/95/06/608439506.db2.gz GDZIXMWNPLRVJD-CYBMUJFWSA-N -1 3 393.367 1.396 20 5 GDBDHM O=[N+]([O-])c1cnc2ccc(N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)nn21 ZINC000826500634 608439508 /nfs/dbraw/zinc/43/95/08/608439508.db2.gz GDZIXMWNPLRVJD-CYBMUJFWSA-N -1 3 393.367 1.396 20 5 GDBDHM NC(=O)c1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c([N+](=O)[O-])c1 ZINC000826393383 608529774 /nfs/dbraw/zinc/52/97/74/608529774.db2.gz PRAIRXIWKQAVBA-UHFFFAOYSA-N -1 3 379.380 1.653 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2 ZINC000826500396 608706322 /nfs/dbraw/zinc/70/63/22/608706322.db2.gz XCFDMWLQCMBQTL-UHFFFAOYSA-N -1 3 376.380 1.981 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2 ZINC000826500396 608706323 /nfs/dbraw/zinc/70/63/23/608706323.db2.gz XCFDMWLQCMBQTL-UHFFFAOYSA-N -1 3 376.380 1.981 20 5 GDBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(-c2nnn[n-]2)cc1 ZINC000781967633 609374822 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HAEYMQJULDZAAQ-UHFFFAOYSA-N -1 3 386.299 1.573 20 5 GDBDHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000826430612 609607023 /nfs/dbraw/zinc/60/70/23/609607023.db2.gz HCKAHVFOVSLMAY-CYBMUJFWSA-N -1 3 396.367 1.028 20 5 GDBDHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000826430612 609607024 /nfs/dbraw/zinc/60/70/24/609607024.db2.gz HCKAHVFOVSLMAY-CYBMUJFWSA-N -1 3 396.367 1.028 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000367559368 645603247 /nfs/dbraw/zinc/60/32/47/645603247.db2.gz LHJRZTAGMZTWLQ-KOLCDFICSA-N -1 3 393.824 1.529 20 5 GDBDHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000371022940 645722422 /nfs/dbraw/zinc/72/24/22/645722422.db2.gz PEDGXMJEZLIGDE-SNVBAGLBSA-N -1 3 385.833 1.539 20 5 GDBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1csc([N+](=O)[O-])c1 ZINC000441381584 646255952 /nfs/dbraw/zinc/25/59/52/646255952.db2.gz IDHOMLZLXQSHDB-UHFFFAOYSA-N -1 3 391.377 1.643 20 5 GDBDHM CN1CCC(O)(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000443233701 647191529 /nfs/dbraw/zinc/19/15/29/647191529.db2.gz MHBJRELRWFERNF-UHFFFAOYSA-N -1 3 398.268 1.637 20 5 GDBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCCOC1 ZINC000467082979 647630807 /nfs/dbraw/zinc/63/08/07/647630807.db2.gz DDRKNZWPHQRZNV-GXFFZTMASA-N -1 3 392.455 1.601 20 5 GDBDHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000594816304 652372088 /nfs/dbraw/zinc/37/20/88/652372088.db2.gz GSZFWRHCUYUZML-WDEREUQCSA-N -1 3 377.850 1.636 20 5 GDBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CS1(=O)=O ZINC000594849155 652378715 /nfs/dbraw/zinc/37/87/15/652378715.db2.gz JPCSQYSRNBCEFZ-IUCAKERBSA-N -1 3 382.847 1.492 20 5 GDBDHM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610136255 652872906 /nfs/dbraw/zinc/87/29/06/652872906.db2.gz PNVXWXRVHIYKLS-MWLCHTKSSA-N -1 3 396.874 1.882 20 5 GDBDHM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610136266 652873361 /nfs/dbraw/zinc/87/33/61/652873361.db2.gz QDZIVMXYSVIEDV-MNOVXSKESA-N -1 3 396.874 1.882 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2cnccn2)c1 ZINC000774792325 654640251 /nfs/dbraw/zinc/64/02/51/654640251.db2.gz MXXCBFFHALZRKY-UHFFFAOYSA-N -1 3 387.215 1.668 20 5 GDBDHM C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000755166792 654987318 /nfs/dbraw/zinc/98/73/18/654987318.db2.gz PRMTZNWBSPLLRM-VIFPVBQESA-N -1 3 377.394 1.925 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000809827559 655139280 /nfs/dbraw/zinc/13/92/80/655139280.db2.gz OXTHYHPCSOQLGE-PELKAZGASA-N -1 3 398.268 1.899 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCS(=O)(=O)CC1CC1 ZINC000765233477 655236386 /nfs/dbraw/zinc/23/63/86/655236386.db2.gz OULLFNIMAUCJAS-UHFFFAOYSA-N -1 3 382.847 1.351 20 5 GDBDHM CCN(CC)C(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841478002 655326856 /nfs/dbraw/zinc/32/68/56/655326856.db2.gz AFJFFGZSXLLYJK-UHFFFAOYSA-N -1 3 383.348 1.760 20 5 GDBDHM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841536058 655340525 /nfs/dbraw/zinc/34/05/25/655340525.db2.gz XUZQIGSHILCLRY-SNVBAGLBSA-N -1 3 393.215 1.587 20 5 GDBDHM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000817928024 655362492 /nfs/dbraw/zinc/36/24/92/655362492.db2.gz QIDYFYPBMUYING-UHFFFAOYSA-N -1 3 375.359 1.182 20 5 GDBDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828059554 655518925 /nfs/dbraw/zinc/51/89/25/655518925.db2.gz RCLGSNQCYOJMIG-NXEZZACHSA-N -1 3 381.204 1.049 20 5 GDBDHM NS(=O)(=O)c1ccc(NCCc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000822898884 946212814 /nfs/dbraw/zinc/21/28/14/946212814.db2.gz BFIUDBGZFXMYPY-UHFFFAOYSA-N -1 3 389.397 1.077 20 5 GDBDHM NS(=O)(=O)c1ccc(NCCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000822898884 946212822 /nfs/dbraw/zinc/21/28/22/946212822.db2.gz BFIUDBGZFXMYPY-UHFFFAOYSA-N -1 3 389.397 1.077 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823136301 946326871 /nfs/dbraw/zinc/32/68/71/946326871.db2.gz URAWKLQTOQXBLB-UHFFFAOYSA-N -1 3 382.315 1.902 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823136301 946326884 /nfs/dbraw/zinc/32/68/84/946326884.db2.gz URAWKLQTOQXBLB-UHFFFAOYSA-N -1 3 382.315 1.902 20 5 GDBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823391679 946421442 /nfs/dbraw/zinc/42/14/42/946421442.db2.gz BOIHRIXQHATOOQ-CYBMUJFWSA-N -1 3 383.324 1.065 20 5 GDBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823391679 946421450 /nfs/dbraw/zinc/42/14/50/946421450.db2.gz BOIHRIXQHATOOQ-CYBMUJFWSA-N -1 3 383.324 1.065 20 5 GDBDHM COc1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000826209901 947614039 /nfs/dbraw/zinc/61/40/39/947614039.db2.gz VZHGRESCCPVKFK-UHFFFAOYSA-N -1 3 399.371 1.412 20 5 GDBDHM COc1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000826209901 947614044 /nfs/dbraw/zinc/61/40/44/947614044.db2.gz VZHGRESCCPVKFK-UHFFFAOYSA-N -1 3 399.371 1.412 20 5 GDBDHM O=[N+]([O-])c1cnc2c(c1)CN(CCCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826500503 948415312 /nfs/dbraw/zinc/41/53/12/948415312.db2.gz AFUPKZCLWZZAOR-UHFFFAOYSA-N -1 3 381.396 1.997 20 5 GDBDHM O=[N+]([O-])c1cnc2c(c1)CN(CCCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826500503 948415316 /nfs/dbraw/zinc/41/53/16/948415316.db2.gz AFUPKZCLWZZAOR-UHFFFAOYSA-N -1 3 381.396 1.997 20 5 GDBDHM CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598556008 993057921 /nfs/dbraw/zinc/05/79/21/993057921.db2.gz HTZSQBFJXDXTCD-MRXNPFEDSA-N -1 3 385.376 1.975 20 5 GDBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001593737537 996336220 /nfs/dbraw/zinc/33/62/20/996336220.db2.gz IGOSLMOOWQVWLM-YPMHNXCESA-N -1 3 375.385 1.654 20 5 GDBDHM COC(=O)c1sccc1S(=O)(=O)[N-]CCNc1ccccc1[N+](=O)[O-] ZINC000023402812 530574681 /nfs/dbraw/zinc/57/46/81/530574681.db2.gz RBYXTQCYHWUALG-UHFFFAOYSA-N -1 3 385.423 1.833 20 5 GDBDHM CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163348721 530575537 /nfs/dbraw/zinc/57/55/37/530575537.db2.gz ZGGJLNDHRBJATG-UHFFFAOYSA-N -1 3 383.348 1.759 20 5 GDBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1=O ZINC000163373092 530575779 /nfs/dbraw/zinc/57/57/79/530575779.db2.gz YBAFCOJTDGIEIL-MRVPVSSYSA-N -1 3 381.332 1.513 20 5 GDBDHM CCCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000032441541 530607058 /nfs/dbraw/zinc/60/70/58/530607058.db2.gz CTSNZTRMLNRCTI-UHFFFAOYSA-N -1 3 391.471 1.077 20 5 GDBDHM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000057281855 530725321 /nfs/dbraw/zinc/72/53/21/530725321.db2.gz XEFJVNCYMVHSEA-MRVPVSSYSA-N -1 3 397.185 1.085 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CN2CCOCC2)c1 ZINC000182528325 530800809 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3 376.504 1.127 20 5 GDBDHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000151795495 531142757 /nfs/dbraw/zinc/14/27/57/531142757.db2.gz PNPHQVUTIBLARU-VXGBXAGGSA-N -1 3 377.488 1.824 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c1 ZINC000276692417 531223381 /nfs/dbraw/zinc/22/33/81/531223381.db2.gz NBJGCSZIXAOZNZ-KCJUWKMLSA-N -1 3 379.232 1.797 20 5 GDBDHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000277094753 531256922 /nfs/dbraw/zinc/25/69/22/531256922.db2.gz SBCOJZYWBMQCBK-NSHDSACASA-N -1 3 380.806 1.147 20 5 GDBDHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265443348 531253571 /nfs/dbraw/zinc/25/35/71/531253571.db2.gz ZPIRSKIBPYZSKW-UHFFFAOYSA-N -1 3 385.427 1.778 20 5 GDBDHM COC(=O)c1cnc(NCC[N-]S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000477741909 531334318 /nfs/dbraw/zinc/33/43/18/531334318.db2.gz GZYUVHOMEARDIM-UHFFFAOYSA-N -1 3 386.411 1.228 20 5 GDBDHM 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ZINC000362366055 531459941 /nfs/dbraw/zinc/45/99/41/531459941.db2.gz SCHWHNPQGIRFJE-BXUZGUMPSA-N -1 3 376.818 1.865 20 5 GDBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000281316022 531603597 /nfs/dbraw/zinc/60/35/97/531603597.db2.gz KGKDLRCOWMJBTP-VIFPVBQESA-N -1 3 383.220 1.033 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416431579 531614547 /nfs/dbraw/zinc/61/45/47/531614547.db2.gz BMYZOZLGUUJMAL-UHFFFAOYSA-N -1 3 382.316 1.988 20 5 GDBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416490141 531643516 /nfs/dbraw/zinc/64/35/16/531643516.db2.gz SRVSZUSYAFKVOS-VIFPVBQESA-N -1 3 386.304 1.080 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCN(CCCO)C1 ZINC000451667605 531661743 /nfs/dbraw/zinc/66/17/43/531661743.db2.gz JPWBIPYTBUCWRC-GFCCVEGCSA-N -1 3 377.850 1.373 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCN(CCCO)C1 ZINC000451667606 531662019 /nfs/dbraw/zinc/66/20/19/531662019.db2.gz JPWBIPYTBUCWRC-LBPRGKRZSA-N -1 3 377.850 1.373 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000451810401 531688984 /nfs/dbraw/zinc/68/89/84/531688984.db2.gz CMGMTPLEVVNAPY-UHFFFAOYSA-N -1 3 380.369 1.787 20 5 GDBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000269499763 531683377 /nfs/dbraw/zinc/68/33/77/531683377.db2.gz WLXGDRAILLSZFZ-UHFFFAOYSA-N -1 3 378.248 1.730 20 5 GDBDHM CCN1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000451864586 531699023 /nfs/dbraw/zinc/69/90/23/531699023.db2.gz HLTNCHNQANNRHV-QMMMGPOBSA-N -1 3 392.231 1.256 20 5 GDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC(C)(C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000416607477 531701939 /nfs/dbraw/zinc/70/19/39/531701939.db2.gz PNHDWPPMDPOUDB-UHFFFAOYSA-N -1 3 378.472 1.703 20 5 GDBDHM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000591332440 531715988 /nfs/dbraw/zinc/71/59/88/531715988.db2.gz WFBHFLJQVCAGHS-SECBINFHSA-N -1 3 381.332 1.561 20 5 GDBDHM Cc1ccc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CCC2)c([N+](=O)[O-])c1 ZINC000416633348 531716903 /nfs/dbraw/zinc/71/69/03/531716903.db2.gz OYBJYMXGIUYXIZ-UHFFFAOYSA-N -1 3 376.456 1.396 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c1 ZINC000452044189 531759101 /nfs/dbraw/zinc/75/91/01/531759101.db2.gz ILIYGBOQBCRQDE-GFCCVEGCSA-N -1 3 379.232 1.797 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCC2)nc1 ZINC000593528250 531838382 /nfs/dbraw/zinc/83/83/82/531838382.db2.gz JSZLSGSHKULPID-UHFFFAOYSA-N -1 3 386.499 1.630 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSCC1 ZINC000270295014 531856099 /nfs/dbraw/zinc/85/60/99/531856099.db2.gz XMOTVTJDBXUSTP-UHFFFAOYSA-N -1 3 394.858 1.965 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(O)CCC2)c(Br)c1 ZINC000283943587 531911659 /nfs/dbraw/zinc/91/16/59/531911659.db2.gz MHOJFROWNMHRHD-UHFFFAOYSA-N -1 3 379.232 1.941 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2(O)CCC2)ccc1Br ZINC000284062098 531925799 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Cc1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000737282178 599083219 /nfs/dbraw/zinc/08/32/19/599083219.db2.gz AZCJAHGBPLCJRP-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000737282178 599083222 /nfs/dbraw/zinc/08/32/22/599083222.db2.gz AZCJAHGBPLCJRP-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820667470 599097167 /nfs/dbraw/zinc/09/71/67/599097167.db2.gz MMWOGHLLEGWZSA-XPTSAGLGSA-N -1 3 383.372 1.114 20 5 GDBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820667470 599097170 /nfs/dbraw/zinc/09/71/70/599097170.db2.gz MMWOGHLLEGWZSA-XPTSAGLGSA-N -1 3 383.372 1.114 20 5 GDBDHM NC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737740586 599111690 /nfs/dbraw/zinc/11/16/90/599111690.db2.gz NVGOSRKUGUHRFX-HNNXBMFYSA-N -1 3 382.336 1.087 20 5 GDBDHM NC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737740586 599111693 /nfs/dbraw/zinc/11/16/93/599111693.db2.gz NVGOSRKUGUHRFX-HNNXBMFYSA-N -1 3 382.336 1.087 20 5 GDBDHM Cc1c(Br)cc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000820934287 597383206 /nfs/dbraw/zinc/38/32/06/597383206.db2.gz SJXHSDMORSGTGR-UHFFFAOYSA-N -1 3 388.218 1.754 20 5 GDBDHM O=C(c1cccc(O)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000738273919 598247636 /nfs/dbraw/zinc/24/76/36/598247636.db2.gz PBDVGFMFRFGETM-UHFFFAOYSA-N -1 3 395.379 1.443 20 5 GDBDHM NS(=O)(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000737769430 598311176 /nfs/dbraw/zinc/31/11/76/598311176.db2.gz JRLNGOYFYWGWGG-UHFFFAOYSA-N -1 3 393.360 1.174 20 5 GDBDHM NS(=O)(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000737769430 598311178 /nfs/dbraw/zinc/31/11/78/598311178.db2.gz JRLNGOYFYWGWGG-UHFFFAOYSA-N -1 3 393.360 1.174 20 5 GDBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000736171931 598325762 /nfs/dbraw/zinc/32/57/62/598325762.db2.gz ZWGVUAFWPGNUAL-GFCCVEGCSA-N -1 3 397.395 1.771 20 5 GDBDHM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC000737474091 598337817 /nfs/dbraw/zinc/33/78/17/598337817.db2.gz KLFCOROHSOWOPF-CYBMUJFWSA-N -1 3 383.416 1.900 20 5 GDBDHM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC000737474091 598337820 /nfs/dbraw/zinc/33/78/20/598337820.db2.gz KLFCOROHSOWOPF-CYBMUJFWSA-N -1 3 383.416 1.900 20 5 GDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738196241 598380006 /nfs/dbraw/zinc/38/00/06/598380006.db2.gz UJUGPFKTFHCDFK-UHFFFAOYSA-N -1 3 377.324 1.030 20 5 GDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738196241 598380007 /nfs/dbraw/zinc/38/00/07/598380007.db2.gz UJUGPFKTFHCDFK-UHFFFAOYSA-N -1 3 377.324 1.030 20 5 GDBDHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736156848 598411204 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CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000820116580 607039061 /nfs/dbraw/zinc/03/90/61/607039061.db2.gz KIKLDBIABQZBSK-UHFFFAOYSA-N -1 3 397.395 1.374 20 5 GDBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000820116580 607039063 /nfs/dbraw/zinc/03/90/63/607039063.db2.gz KIKLDBIABQZBSK-UHFFFAOYSA-N -1 3 397.395 1.374 20 5 GDBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)S(C)(=O)=O ZINC000824428177 607822372 /nfs/dbraw/zinc/82/23/72/607822372.db2.gz QNSKCMYZPVXCGE-MRVPVSSYSA-N -1 3 377.386 1.168 20 5 GDBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)S(C)(=O)=O ZINC000824428177 607822373 /nfs/dbraw/zinc/82/23/73/607822373.db2.gz QNSKCMYZPVXCGE-MRVPVSSYSA-N -1 3 377.386 1.168 20 5 GDBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826432481 607959721 /nfs/dbraw/zinc/95/97/21/607959721.db2.gz BXBJTIJLXIHDAJ-UHFFFAOYSA-N -1 3 393.363 1.094 20 5 GDBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826432481 607959722 /nfs/dbraw/zinc/95/97/22/607959722.db2.gz BXBJTIJLXIHDAJ-UHFFFAOYSA-N -1 3 393.363 1.094 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826439727 607984048 /nfs/dbraw/zinc/98/40/48/607984048.db2.gz HOHGLXMQWAJVBH-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826439727 607984049 /nfs/dbraw/zinc/98/40/49/607984049.db2.gz HOHGLXMQWAJVBH-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000824065371 608160335 /nfs/dbraw/zinc/16/03/35/608160335.db2.gz YUONWVBQCAEGDZ-UHFFFAOYSA-N -1 3 388.793 1.190 20 5 GDBDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000824065371 608160337 /nfs/dbraw/zinc/16/03/37/608160337.db2.gz YUONWVBQCAEGDZ-UHFFFAOYSA-N -1 3 388.793 1.190 20 5 GDBDHM 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HBHKJWTXSNZZSK-GFCCVEGCSA-N -1 3 390.893 1.410 20 5 GDBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCOCC1 ZINC000055236086 530706205 /nfs/dbraw/zinc/70/62/05/530706205.db2.gz SYKLJGUMCKLXJN-CQSZACIVSA-N -1 3 375.422 1.369 20 5 GDBDHM Cn1cc(Br)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O ZINC000176542314 530684620 /nfs/dbraw/zinc/68/46/20/530684620.db2.gz SXSVQROSFMXYNL-UHFFFAOYSA-N -1 3 388.199 1.857 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCC2)cc1Br ZINC000178566698 530723281 /nfs/dbraw/zinc/72/32/81/530723281.db2.gz DWDYPAAFDVVIGO-UHFFFAOYSA-N -1 3 379.232 1.941 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCNC(=O)OC(C)(C)C ZINC000065795670 530756756 /nfs/dbraw/zinc/75/67/56/530756756.db2.gz CQHAMZVHMZUITH-UHFFFAOYSA-N -1 3 375.403 1.406 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CN2CCN(C)CC2)c1 ZINC000183653032 530818463 /nfs/dbraw/zinc/81/84/63/530818463.db2.gz CWUZBOLOFOISKG-GFCCVEGCSA-N -1 3 390.893 1.471 20 5 GDBDHM 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531276310 /nfs/dbraw/zinc/27/63/10/531276310.db2.gz SWXICMYQADTGSU-UHFFFAOYSA-N -1 3 388.178 1.131 20 5 GDBDHM Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000440656977 531341127 /nfs/dbraw/zinc/34/11/27/531341127.db2.gz VKGPAAJBHKAKOG-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCO2)c1 ZINC000447946747 531443917 /nfs/dbraw/zinc/44/39/17/531443917.db2.gz XPHNEMNPXXFMBJ-VXGBXAGGSA-N -1 3 395.231 1.176 20 5 GDBDHM Cc1c(Br)cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000490903427 531544036 /nfs/dbraw/zinc/54/40/36/531544036.db2.gz QKXMQSOHQIENMA-LLVKDONJSA-N -1 3 397.185 1.042 20 5 GDBDHM CS[C@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280828162 531546253 /nfs/dbraw/zinc/54/62/53/531546253.db2.gz SNVOUAMBYMHPDH-RYUDHWBXSA-N -1 3 387.483 1.664 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1(C(F)(F)F)CC1 ZINC000553180368 531562001 /nfs/dbraw/zinc/56/20/01/531562001.db2.gz SZIIUTOFUPIUAM-UHFFFAOYSA-N -1 3 381.332 1.332 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280966652 531562360 /nfs/dbraw/zinc/56/23/60/531562360.db2.gz LIYNVTAEKPUKQZ-GHMZBOCLSA-N -1 3 378.834 1.480 20 5 GDBDHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493895670 531583118 /nfs/dbraw/zinc/58/31/18/531583118.db2.gz ZCVZWUUVKBYLEB-RKDXNWHRSA-N -1 3 378.378 1.609 20 5 GDBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268892565 531584331 /nfs/dbraw/zinc/58/43/31/531584331.db2.gz UZYOXKYWTLLNDK-ZETCQYMHSA-N -1 3 380.220 1.160 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2(CCO)CC2)c1 ZINC000494580178 531613380 /nfs/dbraw/zinc/61/33/80/531613380.db2.gz RYYZHRXTTCTHTQ-UHFFFAOYSA-N -1 3 379.232 1.798 20 5 GDBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416462932 531627125 /nfs/dbraw/zinc/62/71/25/531627125.db2.gz UBQJUDRQONXUNB-LBPRGKRZSA-N -1 3 386.348 1.679 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000269497430 531680954 /nfs/dbraw/zinc/68/09/54/531680954.db2.gz VVQVIWCCDYEIPM-ZETCQYMHSA-N -1 3 388.345 1.079 20 5 GDBDHM Cc1cc(S(=O)(=O)[N-]CCN2CCOC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590655 531694177 /nfs/dbraw/zinc/69/41/77/531694177.db2.gz IEZYNFMJIIHUEC-UHFFFAOYSA-N -1 3 375.422 1.431 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000365932508 531695901 /nfs/dbraw/zinc/69/59/01/531695901.db2.gz VQJYXVXWHIYPFJ-RYUDHWBXSA-N -1 3 389.861 1.698 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000269740186 531731945 /nfs/dbraw/zinc/73/19/45/531731945.db2.gz UGULPMVNBZDHNT-QWRGUYRKSA-N -1 3 379.232 1.939 20 5 GDBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CS1(=O)=O ZINC000594847314 531859783 /nfs/dbraw/zinc/85/97/83/531859783.db2.gz DAFDVVKLUSXWPK-WCBMZHEXSA-N -1 3 382.847 1.492 20 5 GDBDHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000595364320 531876590 /nfs/dbraw/zinc/87/65/90/531876590.db2.gz NXXBCPRIUWJYLA-UHFFFAOYSA-N -1 3 376.456 1.457 20 5 GDBDHM Cn1cc(N2CC[C@@H]([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2=O)cn1 ZINC000271409162 532013323 /nfs/dbraw/zinc/01/33/23/532013323.db2.gz PCBBTLGZGXDDLQ-SECBINFHSA-N -1 3 385.427 1.011 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCCO)c(Br)c1 ZINC000273418983 532149143 /nfs/dbraw/zinc/14/91/43/532149143.db2.gz KMFQMKLXLKMECW-UHFFFAOYSA-N -1 3 383.220 1.035 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-]CCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432292362 532283139 /nfs/dbraw/zinc/28/31/39/532283139.db2.gz UGNDZQDNQGLPLI-NSHDSACASA-N -1 3 377.488 1.744 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000275321880 532286447 /nfs/dbraw/zinc/28/64/47/532286447.db2.gz XUNLWCMUWBJCRJ-ZETCQYMHSA-N -1 3 390.311 1.988 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000393645755 532300760 /nfs/dbraw/zinc/30/07/60/532300760.db2.gz LQQMBOMRJHJFSW-UHFFFAOYSA-N -1 3 389.231 1.878 20 5 GDBDHM COC(=O)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896378 598881528 /nfs/dbraw/zinc/88/15/28/598881528.db2.gz IYINZPNHCFUZKD-MRXNPFEDSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896378 598881529 /nfs/dbraw/zinc/88/15/29/598881529.db2.gz IYINZPNHCFUZKD-MRXNPFEDSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898238 598896465 /nfs/dbraw/zinc/89/64/65/598896465.db2.gz JBAIRLNDZZIILT-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898238 598896466 /nfs/dbraw/zinc/89/64/66/598896466.db2.gz JBAIRLNDZZIILT-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821608479 599140384 /nfs/dbraw/zinc/14/03/84/599140384.db2.gz JCAAHZFQFFOLLE-UHFFFAOYSA-N -1 3 381.396 1.870 20 5 GDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821608479 599140385 /nfs/dbraw/zinc/14/03/85/599140385.db2.gz JCAAHZFQFFOLLE-UHFFFAOYSA-N -1 3 381.396 1.870 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C ZINC000737116557 598272181 /nfs/dbraw/zinc/27/21/81/598272181.db2.gz TUKUTDFEMHSTPO-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C ZINC000737116557 598272182 /nfs/dbraw/zinc/27/21/82/598272182.db2.gz TUKUTDFEMHSTPO-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737988546 598378632 /nfs/dbraw/zinc/37/86/32/598378632.db2.gz MIZJAOXLBMHIMD-UHFFFAOYSA-N -1 3 391.351 1.672 20 5 GDBDHM O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737988546 598378634 /nfs/dbraw/zinc/37/86/34/598378634.db2.gz MIZJAOXLBMHIMD-UHFFFAOYSA-N -1 3 391.351 1.672 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737487908 598490472 /nfs/dbraw/zinc/49/04/72/598490472.db2.gz PEPPYRZIUIFDQJ-UHFFFAOYSA-N -1 3 387.404 1.865 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737487908 598490473 /nfs/dbraw/zinc/49/04/73/598490473.db2.gz PEPPYRZIUIFDQJ-UHFFFAOYSA-N -1 3 387.404 1.865 20 5 GDBDHM CN(CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736801904 598499325 /nfs/dbraw/zinc/49/93/25/598499325.db2.gz WGRGPKZFQJYOMW-UHFFFAOYSA-N -1 3 378.393 1.839 20 5 GDBDHM CN(CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736801904 598499327 /nfs/dbraw/zinc/49/93/27/598499327.db2.gz WGRGPKZFQJYOMW-UHFFFAOYSA-N -1 3 378.393 1.839 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737115688 598510999 /nfs/dbraw/zinc/51/09/99/598510999.db2.gz NKJOUQFXKCIJAQ-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737115688 598511001 /nfs/dbraw/zinc/51/10/01/598511001.db2.gz NKJOUQFXKCIJAQ-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000736184718 598587513 /nfs/dbraw/zinc/58/75/13/598587513.db2.gz MTLCBRXDQALQHI-GFCCVEGCSA-N -1 3 398.379 1.737 20 5 GDBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000736184718 598587515 /nfs/dbraw/zinc/58/75/15/598587515.db2.gz MTLCBRXDQALQHI-GFCCVEGCSA-N -1 3 398.379 1.737 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1cccc(F)c1 ZINC000738360844 598596260 /nfs/dbraw/zinc/59/62/60/598596260.db2.gz ZSNZUKZHZXKLFX-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1cccc(F)c1 ZINC000738360844 598596261 /nfs/dbraw/zinc/59/62/61/598596261.db2.gz ZSNZUKZHZXKLFX-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738122917 598635944 /nfs/dbraw/zinc/63/59/44/598635944.db2.gz AIDYLZOVNSMNOQ-UHFFFAOYSA-N -1 3 385.315 1.169 20 5 GDBDHM O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738122917 598635945 /nfs/dbraw/zinc/63/59/45/598635945.db2.gz AIDYLZOVNSMNOQ-UHFFFAOYSA-N -1 3 385.315 1.169 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521970304 598644245 /nfs/dbraw/zinc/64/42/45/598644245.db2.gz CBBPPACVIFTDSH-LBPRGKRZSA-N -1 3 397.351 1.611 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521970304 598644248 /nfs/dbraw/zinc/64/42/48/598644248.db2.gz CBBPPACVIFTDSH-LBPRGKRZSA-N -1 3 397.351 1.611 20 5 GDBDHM Cc1ccc(N(C)C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)nn1 ZINC000737347344 598672415 /nfs/dbraw/zinc/67/24/15/598672415.db2.gz NEIHAUREUKLXKH-UHFFFAOYSA-N -1 3 395.427 1.979 20 5 GDBDHM Cc1ccc(N(C)C2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)nn1 ZINC000737347344 598672416 /nfs/dbraw/zinc/67/24/16/598672416.db2.gz NEIHAUREUKLXKH-UHFFFAOYSA-N -1 3 395.427 1.979 20 5 GDBDHM CCc1noc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000736713466 598672712 /nfs/dbraw/zinc/67/27/12/598672712.db2.gz PFUDBDPAQYAJHT-LLVKDONJSA-N -1 3 399.415 1.604 20 5 GDBDHM CCc1noc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000736713466 598672714 /nfs/dbraw/zinc/67/27/14/598672714.db2.gz PFUDBDPAQYAJHT-LLVKDONJSA-N -1 3 399.415 1.604 20 5 GDBDHM CN(C[C@H](O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736789289 598773031 /nfs/dbraw/zinc/77/30/31/598773031.db2.gz WEYCFTWTPNGPOB-HNNXBMFYSA-N -1 3 384.396 1.789 20 5 GDBDHM CN(C[C@H](O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736789289 598773032 /nfs/dbraw/zinc/77/30/32/598773032.db2.gz WEYCFTWTPNGPOB-HNNXBMFYSA-N -1 3 384.396 1.789 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738207619 599295132 /nfs/dbraw/zinc/29/51/32/599295132.db2.gz 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COC(=O)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000821644496 599382683 /nfs/dbraw/zinc/38/26/83/599382683.db2.gz BAUZCIYBTYGTNC-INIZCTEOSA-N -1 3 382.380 1.821 20 5 GDBDHM COC(=O)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000821644496 599382684 /nfs/dbraw/zinc/38/26/84/599382684.db2.gz BAUZCIYBTYGTNC-INIZCTEOSA-N -1 3 382.380 1.821 20 5 GDBDHM CN(CCCNC(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736801218 599442257 /nfs/dbraw/zinc/44/22/57/599442257.db2.gz SMGWZPXCDQWJPX-UHFFFAOYSA-N -1 3 378.393 1.521 20 5 GDBDHM CN(CCCNC(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736801218 599442260 /nfs/dbraw/zinc/44/22/60/599442260.db2.gz SMGWZPXCDQWJPX-UHFFFAOYSA-N -1 3 378.393 1.521 20 5 GDBDHM COc1cc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000821720445 599469894 /nfs/dbraw/zinc/46/98/94/599469894.db2.gz RPZYXXGXUNMFFC-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM COc1cc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000821720445 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ZINC000822331492 606384662 /nfs/dbraw/zinc/38/46/62/606384662.db2.gz GNJKGDHMAJQUHE-UHFFFAOYSA-N -1 3 385.340 1.217 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822331492 606384664 /nfs/dbraw/zinc/38/46/64/606384664.db2.gz GNJKGDHMAJQUHE-UHFFFAOYSA-N -1 3 385.340 1.217 20 5 GDBDHM CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821938224 606481400 /nfs/dbraw/zinc/48/14/00/606481400.db2.gz ZEIJYPGCXPZZKU-GFCCVEGCSA-N -1 3 395.445 1.073 20 5 GDBDHM CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821938224 606481402 /nfs/dbraw/zinc/48/14/02/606481402.db2.gz ZEIJYPGCXPZZKU-GFCCVEGCSA-N -1 3 395.445 1.073 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823118834 606559432 /nfs/dbraw/zinc/55/94/32/606559432.db2.gz SCOQJJAQODUQAP-UHFFFAOYSA-N -1 3 395.282 1.316 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823118834 606559433 /nfs/dbraw/zinc/55/94/33/606559433.db2.gz SCOQJJAQODUQAP-UHFFFAOYSA-N -1 3 395.282 1.316 20 5 GDBDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823022909 606564517 /nfs/dbraw/zinc/56/45/17/606564517.db2.gz PSLQXDOOXPILLA-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823022909 606564519 /nfs/dbraw/zinc/56/45/19/606564519.db2.gz PSLQXDOOXPILLA-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM Cc1nn(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c2ncc([N+](=O)[O-])cc12 ZINC000822501126 606630605 /nfs/dbraw/zinc/63/06/05/606630605.db2.gz XECSYQDKEYZEOL-UHFFFAOYSA-N -1 3 379.384 1.918 20 5 GDBDHM Cc1nn(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c2ncc([N+](=O)[O-])cc12 ZINC000822501126 606630606 /nfs/dbraw/zinc/63/06/06/606630606.db2.gz XECSYQDKEYZEOL-UHFFFAOYSA-N -1 3 379.384 1.918 20 5 GDBDHM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000823436135 606651625 /nfs/dbraw/zinc/65/16/25/606651625.db2.gz IMKUXXIHWGYMHM-UHFFFAOYSA-N -1 3 392.335 1.713 20 5 GDBDHM 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606785689 /nfs/dbraw/zinc/78/56/89/606785689.db2.gz GIQSZCZOBRIFOF-UHFFFAOYSA-N -1 3 389.759 1.537 20 5 GDBDHM CNS(=O)(=O)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821637360 606944307 /nfs/dbraw/zinc/94/43/07/606944307.db2.gz CHYHCQFOVXYWQS-UHFFFAOYSA-N -1 3 392.422 1.834 20 5 GDBDHM CNS(=O)(=O)c1ccc(Sc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821637360 606944308 /nfs/dbraw/zinc/94/43/08/606944308.db2.gz CHYHCQFOVXYWQS-UHFFFAOYSA-N -1 3 392.422 1.834 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)ccc1[N+](=O)[O-] ZINC000821728338 607049187 /nfs/dbraw/zinc/04/91/87/607049187.db2.gz UTLSCWDOIPQVAN-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)ccc1[N+](=O)[O-] ZINC000821728338 607049189 /nfs/dbraw/zinc/04/91/89/607049189.db2.gz UTLSCWDOIPQVAN-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM Cc1nn(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000822500786 607082654 /nfs/dbraw/zinc/08/26/54/607082654.db2.gz HAKVFLBBRQKWBI-UHFFFAOYSA-N -1 3 389.347 1.861 20 5 GDBDHM Cc1nn(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000822500786 607082656 /nfs/dbraw/zinc/08/26/56/607082656.db2.gz HAKVFLBBRQKWBI-UHFFFAOYSA-N -1 3 389.347 1.861 20 5 GDBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823229438 607193687 /nfs/dbraw/zinc/19/36/87/607193687.db2.gz RIBZROXEJBFKKW-UHFFFAOYSA-N -1 3 377.752 1.447 20 5 GDBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823229438 607193688 /nfs/dbraw/zinc/19/36/88/607193688.db2.gz RIBZROXEJBFKKW-UHFFFAOYSA-N -1 3 377.752 1.447 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823635497 607251504 /nfs/dbraw/zinc/25/15/04/607251504.db2.gz YICNAODAPVMKDO-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635497 607251505 /nfs/dbraw/zinc/25/15/05/607251505.db2.gz YICNAODAPVMKDO-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM 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ZINC000737351749 598333463 /nfs/dbraw/zinc/33/34/63/598333463.db2.gz NQNWLBAIYFAIQY-UHFFFAOYSA-N -1 3 381.400 1.590 20 5 GDBDHM Cc1ccc(N2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)nn1 ZINC000737351749 598333465 /nfs/dbraw/zinc/33/34/65/598333465.db2.gz NQNWLBAIYFAIQY-UHFFFAOYSA-N -1 3 381.400 1.590 20 5 GDBDHM CN(c1cccnn1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736844803 598334217 /nfs/dbraw/zinc/33/42/17/598334217.db2.gz YDFBSAUXUQFIFD-UHFFFAOYSA-N -1 3 381.400 1.670 20 5 GDBDHM CN(c1cccnn1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736844803 598334218 /nfs/dbraw/zinc/33/42/18/598334218.db2.gz YDFBSAUXUQFIFD-UHFFFAOYSA-N -1 3 381.400 1.670 20 5 GDBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000736895151 598502071 /nfs/dbraw/zinc/50/20/71/598502071.db2.gz XEMBPXXUCIMNKZ-ZDUSSCGKSA-N -1 3 397.395 1.922 20 5 GDBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000736895151 598502073 /nfs/dbraw/zinc/50/20/73/598502073.db2.gz 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20 5 GDBDHM COc1ccc(OC)c2c1CN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C[C@@H]2O ZINC000821841180 599329751 /nfs/dbraw/zinc/32/97/51/599329751.db2.gz FLMXBEWZAIDJTI-AWEZNQCLSA-N -1 3 398.379 1.846 20 5 GDBDHM COc1ccc(OC)c2c1CN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C[C@@H]2O ZINC000821841180 599329754 /nfs/dbraw/zinc/32/97/54/599329754.db2.gz FLMXBEWZAIDJTI-AWEZNQCLSA-N -1 3 398.379 1.846 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823634109 607382578 /nfs/dbraw/zinc/38/25/78/607382578.db2.gz ATWDYFAUOITXRO-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823634109 607382581 /nfs/dbraw/zinc/38/25/81/607382581.db2.gz ATWDYFAUOITXRO-UHFFFAOYSA-N -1 3 387.791 1.545 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCOC[C@@H]3CCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000823643732 599560715 /nfs/dbraw/zinc/56/07/15/599560715.db2.gz AEEITIOYRCSOMU-LBPRGKRZSA-N -1 3 385.384 1.931 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCOC[C@@H]3CCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000823643732 599560717 /nfs/dbraw/zinc/56/07/17/599560717.db2.gz AEEITIOYRCSOMU-LBPRGKRZSA-N -1 3 385.384 1.931 20 5 GDBDHM O=C1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1Cc1cccc(F)c1 ZINC000823535990 599588559 /nfs/dbraw/zinc/58/85/59/599588559.db2.gz OHXALCYJWFHSHH-UHFFFAOYSA-N -1 3 397.370 1.763 20 5 GDBDHM O=C1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1Cc1cccc(F)c1 ZINC000823535990 599588560 /nfs/dbraw/zinc/58/85/60/599588560.db2.gz OHXALCYJWFHSHH-UHFFFAOYSA-N -1 3 397.370 1.763 20 5 GDBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc([N+](=O)[O-])o1 ZINC000823445139 599649142 /nfs/dbraw/zinc/64/91/42/599649142.db2.gz UEMXQULGHNRKTE-UHFFFAOYSA-N -1 3 383.280 1.775 20 5 GDBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc([N+](=O)[O-])o1 ZINC000823445139 599649143 /nfs/dbraw/zinc/64/91/43/599649143.db2.gz UEMXQULGHNRKTE-UHFFFAOYSA-N -1 3 383.280 1.775 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826327736 607466364 /nfs/dbraw/zinc/46/63/64/607466364.db2.gz SNSFEOVMLRZIJT-UHFFFAOYSA-N -1 3 394.355 1.252 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826327736 607466366 /nfs/dbraw/zinc/46/63/66/607466366.db2.gz SNSFEOVMLRZIJT-UHFFFAOYSA-N -1 3 394.355 1.252 20 5 GDBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)N1CCS(=O)CC1 ZINC000824157212 607634990 /nfs/dbraw/zinc/63/49/90/607634990.db2.gz DARXVQHJTWWEBP-UHFFFAOYSA-N -1 3 379.446 1.030 20 5 GDBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)N1CCS(=O)CC1 ZINC000824157212 607634991 /nfs/dbraw/zinc/63/49/91/607634991.db2.gz DARXVQHJTWWEBP-UHFFFAOYSA-N -1 3 379.446 1.030 20 5 GDBDHM Cc1c(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236639 607670068 /nfs/dbraw/zinc/67/00/68/607670068.db2.gz VXLZAZMJZCVEMV-UHFFFAOYSA-N -1 3 382.384 1.249 20 5 GDBDHM Cc1c(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236639 607670070 /nfs/dbraw/zinc/67/00/70/607670070.db2.gz VXLZAZMJZCVEMV-UHFFFAOYSA-N -1 3 382.384 1.249 20 5 GDBDHM O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826498067 607670147 /nfs/dbraw/zinc/67/01/47/607670147.db2.gz GRKIGPGEXOPDCK-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826498067 607670149 /nfs/dbraw/zinc/67/01/49/607670149.db2.gz GRKIGPGEXOPDCK-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM COc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c([N+](=O)[O-])cc1OC ZINC000826178672 607687071 /nfs/dbraw/zinc/68/70/71/607687071.db2.gz HQBYWTKZWFMMPW-UHFFFAOYSA-N -1 3 387.356 1.093 20 5 GDBDHM COc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c([N+](=O)[O-])cc1OC ZINC000826178672 607687072 /nfs/dbraw/zinc/68/70/72/607687072.db2.gz HQBYWTKZWFMMPW-UHFFFAOYSA-N -1 3 387.356 1.093 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822332355 606146494 /nfs/dbraw/zinc/14/64/94/606146494.db2.gz OTLFRKBDVBJTPS-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822332355 606146496 /nfs/dbraw/zinc/14/64/96/606146496.db2.gz OTLFRKBDVBJTPS-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM CC(C)N1C(=S)N=NC1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820211414 606240151 /nfs/dbraw/zinc/24/01/51/606240151.db2.gz LZBNHAHZTQSFPR-UHFFFAOYSA-N -1 3 376.406 1.286 20 5 GDBDHM CC(C)N1C(=S)N=NC1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820211414 606240153 /nfs/dbraw/zinc/24/01/53/606240153.db2.gz LZBNHAHZTQSFPR-UHFFFAOYSA-N -1 3 376.406 1.286 20 5 GDBDHM COC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648401 606364183 /nfs/dbraw/zinc/36/41/83/606364183.db2.gz JGTXPGZKFDCNLX-INIZCTEOSA-N -1 3 397.347 1.775 20 5 GDBDHM COC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648401 606364185 /nfs/dbraw/zinc/36/41/85/606364185.db2.gz JGTXPGZKFDCNLX-INIZCTEOSA-N -1 3 397.347 1.775 20 5 GDBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820506454 606385446 /nfs/dbraw/zinc/38/54/46/606385446.db2.gz AJKNZROFDZITJD-SECBINFHSA-N -1 3 385.340 1.297 20 5 GDBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820506454 606385447 /nfs/dbraw/zinc/38/54/47/606385447.db2.gz AJKNZROFDZITJD-SECBINFHSA-N -1 3 385.340 1.297 20 5 GDBDHM O=[N+]([O-])c1cc(NC[C@]2(N3CCOCC3)CCSC2)ccc1-c1nnn[n-]1 ZINC000823634511 606646234 /nfs/dbraw/zinc/64/62/34/606646234.db2.gz IXPKQDDNDDWYAR-MRXNPFEDSA-N -1 3 391.457 1.395 20 5 GDBDHM O=[N+]([O-])c1cc(NC[C@]2(N3CCOCC3)CCSC2)ccc1-c1nn[n-]n1 ZINC000823634511 606646235 /nfs/dbraw/zinc/64/62/35/606646235.db2.gz IXPKQDDNDDWYAR-MRXNPFEDSA-N -1 3 391.457 1.395 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000823620932 606709593 /nfs/dbraw/zinc/70/95/93/606709593.db2.gz SYULFUCZGMODNE-HNNXBMFYSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000823620932 606709595 /nfs/dbraw/zinc/70/95/95/606709595.db2.gz SYULFUCZGMODNE-HNNXBMFYSA-N -1 3 396.411 1.026 20 5 GDBDHM O=c1c(Br)cn(Cc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823657917 606870948 /nfs/dbraw/zinc/87/09/48/606870948.db2.gz WOBNLYKJTYELFL-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cn(Cc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823657917 606870950 /nfs/dbraw/zinc/87/09/50/606870950.db2.gz WOBNLYKJTYELFL-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639805 606879165 /nfs/dbraw/zinc/87/91/65/606879165.db2.gz HJJQEMULSRNGNV-WFASDCNBSA-N -1 3 386.368 1.697 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823639805 606879166 /nfs/dbraw/zinc/87/91/66/606879166.db2.gz HJJQEMULSRNGNV-WFASDCNBSA-N -1 3 386.368 1.697 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000823645105 606884081 /nfs/dbraw/zinc/88/40/81/606884081.db2.gz NYMWKESIKQTHSF-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000823645105 606884083 /nfs/dbraw/zinc/88/40/83/606884083.db2.gz NYMWKESIKQTHSF-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1=O ZINC000822212807 606984758 /nfs/dbraw/zinc/98/47/58/606984758.db2.gz IBQCZELBBSPVOW-UHFFFAOYSA-N -1 3 378.295 1.895 20 5 GDBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1=O ZINC000822212807 606984759 /nfs/dbraw/zinc/98/47/59/606984759.db2.gz IBQCZELBBSPVOW-UHFFFAOYSA-N -1 3 378.295 1.895 20 5 GDBDHM Nc1c(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822904332 607004341 /nfs/dbraw/zinc/00/43/41/607004341.db2.gz WAUNIEFRUGGCFO-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM Nc1c(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822904332 607004343 /nfs/dbraw/zinc/00/43/43/607004343.db2.gz WAUNIEFRUGGCFO-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821846763 607142242 /nfs/dbraw/zinc/14/22/42/607142242.db2.gz ZRLDZARTLGIZRH-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821846763 607142244 /nfs/dbraw/zinc/14/22/44/607142244.db2.gz ZRLDZARTLGIZRH-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000823450997 607249186 /nfs/dbraw/zinc/24/91/86/607249186.db2.gz RPUYOFRZZYZEIW-UHFFFAOYSA-N -1 3 396.298 1.714 20 5 GDBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000823450997 607249187 /nfs/dbraw/zinc/24/91/87/607249187.db2.gz RPUYOFRZZYZEIW-UHFFFAOYSA-N -1 3 396.298 1.714 20 5 GDBDHM CN(Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825999023 607848190 /nfs/dbraw/zinc/84/81/90/607848190.db2.gz ITNLQSHBEJIYFK-UHFFFAOYSA-N -1 3 397.168 1.967 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826499482 607876049 /nfs/dbraw/zinc/87/60/49/607876049.db2.gz KDXKWFJVADUKAZ-LBPRGKRZSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826499482 607876050 /nfs/dbraw/zinc/87/60/50/607876050.db2.gz KDXKWFJVADUKAZ-LBPRGKRZSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2nonc21 ZINC000826498590 608052731 /nfs/dbraw/zinc/05/27/31/608052731.db2.gz BQHJGBARVZOWJK-AWEZNQCLSA-N -1 3 394.351 1.889 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c2nonc21 ZINC000826498590 608052732 /nfs/dbraw/zinc/05/27/32/608052732.db2.gz BQHJGBARVZOWJK-AWEZNQCLSA-N -1 3 394.351 1.889 20 5 GDBDHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1n[nH]cc1[N+](=O)[O-] ZINC000826455514 608122409 /nfs/dbraw/zinc/12/24/09/608122409.db2.gz RPDLJKDLZJHOGD-UHFFFAOYSA-N -1 3 393.323 1.938 20 5 GDBDHM Cn1c(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826355223 608192113 /nfs/dbraw/zinc/19/21/13/608192113.db2.gz PKCMYXRRCXAOSQ-UHFFFAOYSA-N -1 3 393.367 1.434 20 5 GDBDHM Cn1c(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826355223 608192117 /nfs/dbraw/zinc/19/21/17/608192117.db2.gz PKCMYXRRCXAOSQ-UHFFFAOYSA-N -1 3 393.367 1.434 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000826499562 608330739 /nfs/dbraw/zinc/33/07/39/608330739.db2.gz NMLUUBSJXTWYPA-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000826499562 608330741 /nfs/dbraw/zinc/33/07/41/608330741.db2.gz NMLUUBSJXTWYPA-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM Cc1ccc(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1[N+](=O)[O-] ZINC000826287965 608510687 /nfs/dbraw/zinc/51/06/87/608510687.db2.gz LAIWIBMSFKHXMU-UHFFFAOYSA-N -1 3 380.412 1.801 20 5 GDBDHM Cc1ccc(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1[N+](=O)[O-] ZINC000826287965 608510688 /nfs/dbraw/zinc/51/06/88/608510688.db2.gz LAIWIBMSFKHXMU-UHFFFAOYSA-N 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O=[N+]([O-])c1ccc2ncnc(NCCNc3ncccc3-c3nn[n-]n3)c2c1 ZINC000826499805 609438528 /nfs/dbraw/zinc/43/85/28/609438528.db2.gz YEKUBQITOMYGBB-UHFFFAOYSA-N -1 3 378.356 1.637 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826424639 609619123 /nfs/dbraw/zinc/61/91/23/609619123.db2.gz WDMPUYBPJBRMCN-UHFFFAOYSA-N -1 3 390.743 1.333 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826424639 609619124 /nfs/dbraw/zinc/61/91/24/609619124.db2.gz WDMPUYBPJBRMCN-UHFFFAOYSA-N -1 3 390.743 1.333 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000533566940 650069314 /nfs/dbraw/zinc/06/93/14/650069314.db2.gz CRSCDZNBHVPJPP-UHFFFAOYSA-N -1 3 392.846 1.357 20 5 GDBDHM CC(C)[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000539887837 650342398 /nfs/dbraw/zinc/34/23/98/650342398.db2.gz AJPIHIBRWBVYDX-LBPRGKRZSA-N -1 3 391.471 1.355 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c2ncccc12 ZINC000544610932 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CCc1nc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n[nH]1 ZINC000297158117 531764897 /nfs/dbraw/zinc/76/48/97/531764897.db2.gz RRSHVRUXKCKVGN-UHFFFAOYSA-N -1 3 390.219 1.516 20 5 GDBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269837146 531779746 /nfs/dbraw/zinc/77/97/46/531779746.db2.gz YCNXPUSKPQXFJS-LBPRGKRZSA-N -1 3 397.247 1.423 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCSCC1 ZINC000270281887 531854052 /nfs/dbraw/zinc/85/40/52/531854052.db2.gz UQLXOXTWMPHACR-UHFFFAOYSA-N -1 3 388.467 1.929 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCSCC1 ZINC000270220785 531842817 /nfs/dbraw/zinc/84/28/17/531842817.db2.gz HLZLYGVVFWWBOK-UHFFFAOYSA-N -1 3 378.403 1.451 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCSCC1 ZINC000270292257 531856399 /nfs/dbraw/zinc/85/63/99/531856399.db2.gz XBOIVCIPEGRMDS-UHFFFAOYSA-N -1 3 390.439 1.321 20 5 GDBDHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000595365058 531876834 /nfs/dbraw/zinc/87/68/34/531876834.db2.gz UYORMQOJCRSSLA-UHFFFAOYSA-N -1 3 376.456 1.457 20 5 GDBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(N)=O ZINC000285234774 532052301 /nfs/dbraw/zinc/05/23/01/532052301.db2.gz BKFNPWZTBARPQH-VIFPVBQESA-N -1 3 380.220 1.290 20 5 GDBDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000272631172 532108233 /nfs/dbraw/zinc/10/82/33/532108233.db2.gz ATZUUJXLLDCGPU-SECBINFHSA-N -1 3 383.220 1.297 20 5 GDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1nnc(C)s1 ZINC000273668997 532163440 /nfs/dbraw/zinc/16/34/40/532163440.db2.gz ZBPONCKVGNHGAK-SSDOTTSWSA-N -1 3 386.411 1.581 20 5 GDBDHM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274767814 532231521 /nfs/dbraw/zinc/23/15/21/532231521.db2.gz VGEGKCDTINGPCY-UHFFFAOYSA-N -1 3 380.220 1.114 20 5 GDBDHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000287566715 532224060 /nfs/dbraw/zinc/22/40/60/532224060.db2.gz WPOZPXNDTYPENF-SECBINFHSA-N -1 3 399.194 1.455 20 5 GDBDHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000275018720 532254116 /nfs/dbraw/zinc/25/41/16/532254116.db2.gz AHXBSUIDZGIXSQ-CQSZACIVSA-N -1 3 378.378 1.753 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000275034233 532255551 /nfs/dbraw/zinc/25/55/51/532255551.db2.gz ASFOIVYGCIFFGA-CQSZACIVSA-N -1 3 376.406 1.818 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000275097419 532264755 /nfs/dbraw/zinc/26/47/55/532264755.db2.gz SGHGOQLIJPTOCG-MRVPVSSYSA-N -1 3 382.460 1.869 20 5 GDBDHM COC(=O)[C@]1([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCSC1 ZINC000275360130 532289766 /nfs/dbraw/zinc/28/97/66/532289766.db2.gz INIKHDUQYSTOAI-ZDUSSCGKSA-N -1 3 394.402 1.070 20 5 GDBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000289411766 532323633 /nfs/dbraw/zinc/32/36/33/532323633.db2.gz AIFMOJRJNUQZGE-VIFPVBQESA-N -1 3 380.806 1.413 20 5 GDBDHM NC(=O)[C@@H](OC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735417 599113514 /nfs/dbraw/zinc/11/35/14/599113514.db2.gz CXXRLGDEQDNIFA-FWRXFDSUSA-N -1 3 394.347 1.558 20 5 GDBDHM NC(=O)[C@@H](OC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735417 599113516 /nfs/dbraw/zinc/11/35/16/599113516.db2.gz CXXRLGDEQDNIFA-FWRXFDSUSA-N -1 3 394.347 1.558 20 5 GDBDHM Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737239021 599127696 /nfs/dbraw/zinc/12/76/96/599127696.db2.gz XZHIZZCCYKJSOJ-CQSZACIVSA-N -1 3 397.351 1.049 20 5 GDBDHM Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737239021 599127698 /nfs/dbraw/zinc/12/76/98/599127698.db2.gz XZHIZZCCYKJSOJ-CQSZACIVSA-N -1 3 397.351 1.049 20 5 GDBDHM NC(=O)[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743987 599127948 /nfs/dbraw/zinc/12/79/48/599127948.db2.gz TZSTWAYNBWGSDA-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743987 599127951 /nfs/dbraw/zinc/12/79/51/599127951.db2.gz TZSTWAYNBWGSDA-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743985 599128518 /nfs/dbraw/zinc/12/85/18/599128518.db2.gz TZSTWAYNBWGSDA-CYBMUJFWSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743985 599128522 /nfs/dbraw/zinc/12/85/22/599128522.db2.gz TZSTWAYNBWGSDA-CYBMUJFWSA-N -1 3 386.299 1.297 20 5 GDBDHM COC(=O)[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900517 599150301 /nfs/dbraw/zinc/15/03/01/599150301.db2.gz SDOMPXYMXYEXBY-INIZCTEOSA-N -1 3 397.347 1.775 20 5 GDBDHM COC(=O)[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900517 599150303 /nfs/dbraw/zinc/15/03/03/599150303.db2.gz SDOMPXYMXYEXBY-INIZCTEOSA-N -1 3 397.347 1.775 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738090493 599213076 /nfs/dbraw/zinc/21/30/76/599213076.db2.gz WQMYFDOAPCDIRU-UHFFFAOYSA-N -1 3 390.306 1.862 20 5 GDBDHM Cc1c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822069195 607270486 /nfs/dbraw/zinc/27/04/86/607270486.db2.gz XPVCUGXDYOXXNG-UHFFFAOYSA-N -1 3 381.352 1.452 20 5 GDBDHM Cc1c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822069195 607270487 /nfs/dbraw/zinc/27/04/87/607270487.db2.gz XPVCUGXDYOXXNG-UHFFFAOYSA-N -1 3 381.352 1.452 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCc3nnc4n3CCC4)cc(-c3nnn[n-]3)c2c1 ZINC000823644733 607304266 /nfs/dbraw/zinc/30/42/66/607304266.db2.gz KYVSYALAHAYVGX-UHFFFAOYSA-N -1 3 378.356 1.473 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCc3nnc4n3CCC4)cc(-c3nn[n-]n3)c2c1 ZINC000823644733 607304267 /nfs/dbraw/zinc/30/42/67/607304267.db2.gz KYVSYALAHAYVGX-UHFFFAOYSA-N -1 3 378.356 1.473 20 5 GDBDHM Cc1nc(N2CCOCC2)ccc1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822449528 607305876 /nfs/dbraw/zinc/30/58/76/607305876.db2.gz CNGQMVWGBYMBOU-UHFFFAOYSA-N -1 3 383.372 1.454 20 5 GDBDHM Cc1nc(N2CCOCC2)ccc1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822449528 607305877 /nfs/dbraw/zinc/30/58/77/607305877.db2.gz CNGQMVWGBYMBOU-UHFFFAOYSA-N -1 3 383.372 1.454 20 5 GDBDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000822699058 607306340 /nfs/dbraw/zinc/30/63/40/607306340.db2.gz MVNNYSAQMRBXKB-IUODEOHRSA-N -1 3 384.400 1.458 20 5 GDBDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000822699058 607306341 /nfs/dbraw/zinc/30/63/41/607306341.db2.gz MVNNYSAQMRBXKB-IUODEOHRSA-N -1 3 384.400 1.458 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000737221806 598272322 /nfs/dbraw/zinc/27/23/22/598272322.db2.gz PESCCTRICQPCHX-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000737221806 598272324 /nfs/dbraw/zinc/27/23/24/598272324.db2.gz PESCCTRICQPCHX-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1ccc(Sc2nnnn2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738366995 598363834 /nfs/dbraw/zinc/36/38/34/598363834.db2.gz MOMIMDYYWZSTJO-UHFFFAOYSA-N -1 3 375.374 1.264 20 5 GDBDHM O=[N+]([O-])c1ccc(Sc2nnnn2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738366995 598363836 /nfs/dbraw/zinc/36/38/36/598363836.db2.gz MOMIMDYYWZSTJO-UHFFFAOYSA-N -1 3 375.374 1.264 20 5 GDBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738243850 598477651 /nfs/dbraw/zinc/47/76/51/598477651.db2.gz BFBRJRRIGTYAJX-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738243850 598477652 /nfs/dbraw/zinc/47/76/52/598477652.db2.gz BFBRJRRIGTYAJX-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM CNc1cc(N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ncn1 ZINC000736886716 598672673 /nfs/dbraw/zinc/67/26/73/598672673.db2.gz IYUDBNOUKJVRGW-GFCCVEGCSA-N -1 3 396.415 1.688 20 5 GDBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826407896 607364301 /nfs/dbraw/zinc/36/43/01/607364301.db2.gz GTZXWOBWKLFOAF-UHFFFAOYSA-N -1 3 397.347 1.970 20 5 GDBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826407896 607364303 /nfs/dbraw/zinc/36/43/03/607364303.db2.gz GTZXWOBWKLFOAF-UHFFFAOYSA-N -1 3 397.347 1.970 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737486143 598709736 /nfs/dbraw/zinc/70/97/36/598709736.db2.gz BBUFRGCSDVLXIB-UHFFFAOYSA-N -1 3 375.320 1.552 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737486143 598709738 /nfs/dbraw/zinc/70/97/38/598709738.db2.gz BBUFRGCSDVLXIB-UHFFFAOYSA-N -1 3 375.320 1.552 20 5 GDBDHM O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415684 607366083 /nfs/dbraw/zinc/36/60/83/607366083.db2.gz ODVDCFSVJKLKJA-UHFFFAOYSA-N -1 3 398.291 1.723 20 5 GDBDHM O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415684 607366084 /nfs/dbraw/zinc/36/60/84/607366084.db2.gz ODVDCFSVJKLKJA-UHFFFAOYSA-N -1 3 398.291 1.723 20 5 GDBDHM COC(=O)c1cc(OCC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000736949928 598751861 /nfs/dbraw/zinc/75/18/61/598751861.db2.gz IOAPFTGLDLFPHE-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COC(=O)c1cc(OCC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000736949928 598751863 /nfs/dbraw/zinc/75/18/63/598751863.db2.gz IOAPFTGLDLFPHE-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C[C@H]2O ZINC000821842659 599330062 /nfs/dbraw/zinc/33/00/62/599330062.db2.gz VHYDXSYNHYVMSD-CQSZACIVSA-N -1 3 398.379 1.846 20 5 GDBDHM COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C[C@H]2O ZINC000821842659 599330065 /nfs/dbraw/zinc/33/00/65/599330065.db2.gz VHYDXSYNHYVMSD-CQSZACIVSA-N -1 3 398.379 1.846 20 5 GDBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000737959790 599387215 /nfs/dbraw/zinc/38/72/15/599387215.db2.gz BFRCGLUCQPSWHG-CQSZACIVSA-N -1 3 394.395 1.425 20 5 GDBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000737959790 599387218 /nfs/dbraw/zinc/38/72/18/599387218.db2.gz BFRCGLUCQPSWHG-CQSZACIVSA-N -1 3 394.395 1.425 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3Cn3cncn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645565 599537867 /nfs/dbraw/zinc/53/78/67/599537867.db2.gz UBOKLYDMXOXSJS-GFCCVEGCSA-N -1 3 392.383 1.584 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3Cn3cncn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645565 599537870 /nfs/dbraw/zinc/53/78/70/599537870.db2.gz UBOKLYDMXOXSJS-GFCCVEGCSA-N -1 3 392.383 1.584 20 5 GDBDHM CCOC(=O)[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821325903 599571413 /nfs/dbraw/zinc/57/14/13/599571413.db2.gz PSAZDLXYHHEUNR-CQSZACIVSA-N -1 3 399.367 1.091 20 5 GDBDHM CCOC(=O)[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821325903 599571416 /nfs/dbraw/zinc/57/14/16/599571416.db2.gz PSAZDLXYHHEUNR-CQSZACIVSA-N -1 3 399.367 1.091 20 5 GDBDHM O=C1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1Cc1cccc(F)c1 ZINC000823535738 599589111 /nfs/dbraw/zinc/58/91/11/599589111.db2.gz GGXCEPKXRRPBKA-UHFFFAOYSA-N -1 3 397.370 1.763 20 5 GDBDHM O=C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1Cc1cccc(F)c1 ZINC000823535738 599589114 /nfs/dbraw/zinc/58/91/14/599589114.db2.gz GGXCEPKXRRPBKA-UHFFFAOYSA-N -1 3 397.370 1.763 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822309404 599601234 /nfs/dbraw/zinc/60/12/34/599601234.db2.gz XIBLILZVFLWFCI-UHFFFAOYSA-N -1 3 395.379 1.680 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822309404 599601236 /nfs/dbraw/zinc/60/12/36/599601236.db2.gz XIBLILZVFLWFCI-UHFFFAOYSA-N -1 3 395.379 1.680 20 5 GDBDHM O=C([O-])[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000738526900 600430077 /nfs/dbraw/zinc/43/00/77/600430077.db2.gz XOXXJYCQFVNKPL-HNNXBMFYSA-N -1 3 379.394 1.289 20 5 GDBDHM CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713439 601904439 /nfs/dbraw/zinc/90/44/39/601904439.db2.gz FJBJBSQJYWKVRO-YGRLFVJLSA-N -1 3 388.302 1.327 20 5 GDBDHM C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1NC(=O)[O-] ZINC000739181484 602783470 /nfs/dbraw/zinc/78/34/70/602783470.db2.gz JUICIVHOJQMBLF-AAEUAGOBSA-N -1 3 378.385 1.871 20 5 GDBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1-c1nnn[n-]1 ZINC000826200713 607608297 /nfs/dbraw/zinc/60/82/97/607608297.db2.gz FNCDJRJDYVXCTP-UHFFFAOYSA-N -1 3 397.395 1.780 20 5 GDBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1-c1nn[n-]n1 ZINC000826200713 607608299 /nfs/dbraw/zinc/60/82/99/607608299.db2.gz FNCDJRJDYVXCTP-UHFFFAOYSA-N -1 3 397.395 1.780 20 5 GDBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000824201207 607734702 /nfs/dbraw/zinc/73/47/02/607734702.db2.gz YNQYUOGZFZYNIW-NSHDSACASA-N -1 3 397.359 1.752 20 5 GDBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824201207 607734703 /nfs/dbraw/zinc/73/47/03/607734703.db2.gz YNQYUOGZFZYNIW-NSHDSACASA-N -1 3 397.359 1.752 20 5 GDBDHM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000834240332 605564721 /nfs/dbraw/zinc/56/47/21/605564721.db2.gz JIVDDMCNFSMVMU-OMVNSRBRSA-N -1 3 376.413 1.704 20 5 GDBDHM CCOC(=O)c1sc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc1C ZINC000821346176 606103196 /nfs/dbraw/zinc/10/31/96/606103196.db2.gz DKHDLEXUJGEHJP-UHFFFAOYSA-N -1 3 390.385 1.724 20 5 GDBDHM CCOC(=O)c1sc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc1C ZINC000821346176 606103198 /nfs/dbraw/zinc/10/31/98/606103198.db2.gz DKHDLEXUJGEHJP-UHFFFAOYSA-N -1 3 390.385 1.724 20 5 GDBDHM NC(=O)C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864705 606141044 /nfs/dbraw/zinc/14/10/44/606141044.db2.gz IUIMFYHWHSKMOJ-JTQLQIEISA-N -1 3 382.384 1.415 20 5 GDBDHM NC(=O)C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864705 606141046 /nfs/dbraw/zinc/14/10/46/606141046.db2.gz IUIMFYHWHSKMOJ-JTQLQIEISA-N -1 3 382.384 1.415 20 5 GDBDHM O=C1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCN1C1CC1 ZINC000823535679 606243920 /nfs/dbraw/zinc/24/39/20/606243920.db2.gz DSFCGFMRIVBGCX-UHFFFAOYSA-N -1 3 380.368 1.134 20 5 GDBDHM O=C1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCN1C1CC1 ZINC000823535679 606243922 /nfs/dbraw/zinc/24/39/22/606243922.db2.gz DSFCGFMRIVBGCX-UHFFFAOYSA-N -1 3 380.368 1.134 20 5 GDBDHM O=C(O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccc([N+](=O)[O-])o1 ZINC000823392681 606364964 /nfs/dbraw/zinc/36/49/64/606364964.db2.gz RNJWLYPVIORCSQ-MRVPVSSYSA-N -1 3 390.337 1.392 20 5 GDBDHM O=C(O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccc([N+](=O)[O-])o1 ZINC000823392681 606364965 /nfs/dbraw/zinc/36/49/65/606364965.db2.gz RNJWLYPVIORCSQ-MRVPVSSYSA-N -1 3 390.337 1.392 20 5 GDBDHM Cc1cc(F)cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822203153 606590973 /nfs/dbraw/zinc/59/09/73/606590973.db2.gz HABJZCZGANFVMD-UHFFFAOYSA-N -1 3 386.347 1.459 20 5 GDBDHM Cc1cc(F)cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822203153 606590975 /nfs/dbraw/zinc/59/09/75/606590975.db2.gz HABJZCZGANFVMD-UHFFFAOYSA-N -1 3 386.347 1.459 20 5 GDBDHM COC(=O)c1cc(NCCNc2ncccc2-c2nnn[n-]2)cc(C)c1[N+](=O)[O-] ZINC000821667951 606627450 /nfs/dbraw/zinc/62/74/50/606627450.db2.gz ICTJVXLSEKOMPS-UHFFFAOYSA-N -1 3 398.383 1.789 20 5 GDBDHM COC(=O)c1cc(NCCNc2ncccc2-c2nn[n-]n2)cc(C)c1[N+](=O)[O-] ZINC000821667951 606627452 /nfs/dbraw/zinc/62/74/52/606627452.db2.gz ICTJVXLSEKOMPS-UHFFFAOYSA-N -1 3 398.383 1.789 20 5 GDBDHM Cc1ccnc(NC[C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000822374345 606705750 /nfs/dbraw/zinc/70/57/50/606705750.db2.gz RSWDUPWJPXTPTC-LBPRGKRZSA-N -1 3 381.400 1.812 20 5 GDBDHM Cc1ccnc(NC[C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000822374345 606705751 /nfs/dbraw/zinc/70/57/51/606705751.db2.gz RSWDUPWJPXTPTC-LBPRGKRZSA-N -1 3 381.400 1.812 20 5 GDBDHM C[C@H](CCS(C)(=O)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820248637 606792782 /nfs/dbraw/zinc/79/27/82/606792782.db2.gz LTGIUTMWLKKVLT-SECBINFHSA-N -1 3 391.413 1.558 20 5 GDBDHM C[C@H](CCS(C)(=O)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820248637 606792783 /nfs/dbraw/zinc/79/27/83/606792783.db2.gz LTGIUTMWLKKVLT-SECBINFHSA-N -1 3 391.413 1.558 20 5 GDBDHM COc1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821897102 606809441 /nfs/dbraw/zinc/80/94/41/606809441.db2.gz DIFXCJXOUGHKKJ-NSHDSACASA-N -1 3 382.384 1.869 20 5 GDBDHM COc1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821897102 606809443 /nfs/dbraw/zinc/80/94/43/606809443.db2.gz DIFXCJXOUGHKKJ-NSHDSACASA-N -1 3 382.384 1.869 20 5 GDBDHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000820628502 606912401 /nfs/dbraw/zinc/91/24/01/606912401.db2.gz FVQFNYUZAIDNCP-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000820628502 606912403 /nfs/dbraw/zinc/91/24/03/606912403.db2.gz FVQFNYUZAIDNCP-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCS3(=O)=O)cc(-c3nnn[n-]3)c2c1 ZINC000823645989 607036240 /nfs/dbraw/zinc/03/62/40/607036240.db2.gz ZACWXCJFEJGKKU-SNVBAGLBSA-N -1 3 389.397 1.312 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCS3(=O)=O)cc(-c3nn[n-]n3)c2c1 ZINC000823645989 607036242 /nfs/dbraw/zinc/03/62/42/607036242.db2.gz ZACWXCJFEJGKKU-SNVBAGLBSA-N -1 3 389.397 1.312 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822213112 607143095 /nfs/dbraw/zinc/14/30/95/607143095.db2.gz VILVQPUOBHKRFA-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822213112 607143097 /nfs/dbraw/zinc/14/30/97/607143097.db2.gz VILVQPUOBHKRFA-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000823619831 607167941 /nfs/dbraw/zinc/16/79/41/607167941.db2.gz BTYBEVXNICMKPO-CQSZACIVSA-N -1 3 396.411 1.001 20 5 GDBDHM O=C(CCn1nccc1[N+](=O)[O-])Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822986372 607237839 /nfs/dbraw/zinc/23/78/39/607237839.db2.gz FOJYSAWRFGWXAH-UHFFFAOYSA-N -1 3 388.413 1.941 20 5 GDBDHM O=C(CCn1nccc1[N+](=O)[O-])Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822986372 607237840 /nfs/dbraw/zinc/23/78/40/607237840.db2.gz FOJYSAWRFGWXAH-UHFFFAOYSA-N -1 3 388.413 1.941 20 5 GDBDHM O=[N+]([O-])c1ccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826499587 607816576 /nfs/dbraw/zinc/81/65/76/607816576.db2.gz OICUCYGVJUVCCA-UHFFFAOYSA-N -1 3 392.422 1.736 20 5 GDBDHM O=[N+]([O-])c1ccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826499587 607816577 /nfs/dbraw/zinc/81/65/77/607816577.db2.gz OICUCYGVJUVCCA-UHFFFAOYSA-N -1 3 392.422 1.736 20 5 GDBDHM Cc1cc(C)n(C[C@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826265346 607842054 /nfs/dbraw/zinc/84/20/54/607842054.db2.gz VPEMSVUHRPCBQY-CQSZACIVSA-N -1 3 384.400 1.494 20 5 GDBDHM CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1-c1nnn[n-]1 ZINC000825950962 607847454 /nfs/dbraw/zinc/84/74/54/607847454.db2.gz YBHFISBMYOKTRP-UHFFFAOYSA-N -1 3 379.336 1.465 20 5 GDBDHM CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1-c1nn[n-]n1 ZINC000825950962 607847455 /nfs/dbraw/zinc/84/74/55/607847455.db2.gz YBHFISBMYOKTRP-UHFFFAOYSA-N -1 3 379.336 1.465 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826212699 607872786 /nfs/dbraw/zinc/87/27/86/607872786.db2.gz YJUQNFGHEDYXEF-ZDUSSCGKSA-N -1 3 387.352 1.602 20 5 GDBDHM CC(=O)c1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000824029532 607903674 /nfs/dbraw/zinc/90/36/74/607903674.db2.gz MTCLFZBQNQDWMI-UHFFFAOYSA-N -1 3 379.380 1.978 20 5 GDBDHM CC(=O)c1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000824029532 607903675 /nfs/dbraw/zinc/90/36/75/607903675.db2.gz MTCLFZBQNQDWMI-UHFFFAOYSA-N -1 3 379.380 1.978 20 5 GDBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474822 608123090 /nfs/dbraw/zinc/12/30/90/608123090.db2.gz HECDIERHQPLAGV-UHFFFAOYSA-N -1 3 384.356 1.182 20 5 GDBDHM CC(=CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000823943134 608145991 /nfs/dbraw/zinc/14/59/91/608145991.db2.gz OITSOVJXPSCLRC-BENRWUELSA-N -1 3 394.395 1.802 20 5 GDBDHM CC(=CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000823943134 608145992 /nfs/dbraw/zinc/14/59/92/608145992.db2.gz OITSOVJXPSCLRC-BENRWUELSA-N -1 3 394.395 1.802 20 5 GDBDHM O=[N+]([O-])c1cnc(NCc2cccnc2OCC(F)F)c(-c2nnn[n-]2)c1 ZINC000826500926 608150763 /nfs/dbraw/zinc/15/07/63/608150763.db2.gz RRWAVTFFWLZIJH-UHFFFAOYSA-N -1 3 378.299 1.821 20 5 GDBDHM O=[N+]([O-])c1cnc(NCc2cccnc2OCC(F)F)c(-c2nn[n-]n2)c1 ZINC000826500926 608150765 /nfs/dbraw/zinc/15/07/65/608150765.db2.gz RRWAVTFFWLZIJH-UHFFFAOYSA-N -1 3 378.299 1.821 20 5 GDBDHM Cc1nn(C)c(C)c1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826333435 608161691 /nfs/dbraw/zinc/16/16/91/608161691.db2.gz HRRCSLSXRHRIDP-UHFFFAOYSA-N -1 3 390.791 1.960 20 5 GDBDHM Cc1nn(C)c(C)c1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826333435 608161693 /nfs/dbraw/zinc/16/16/93/608161693.db2.gz HRRCSLSXRHRIDP-UHFFFAOYSA-N -1 3 390.791 1.960 20 5 GDBDHM O=C1CC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000826480094 608237636 /nfs/dbraw/zinc/23/76/36/608237636.db2.gz QXUZTEXJBQGPGG-NSHDSACASA-N -1 3 380.368 1.134 20 5 GDBDHM O=C1CC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000826480094 608237638 /nfs/dbraw/zinc/23/76/38/608237638.db2.gz QXUZTEXJBQGPGG-NSHDSACASA-N -1 3 380.368 1.134 20 5 GDBDHM CC(C)n1cnnc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824377486 608378585 /nfs/dbraw/zinc/37/85/85/608378585.db2.gz GBDIOYCNSPVQDQ-LLVKDONJSA-N -1 3 384.404 1.726 20 5 GDBDHM CC(C)n1cnnc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824377486 608378586 /nfs/dbraw/zinc/37/85/86/608378586.db2.gz GBDIOYCNSPVQDQ-LLVKDONJSA-N -1 3 384.404 1.726 20 5 GDBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826395675 608455729 /nfs/dbraw/zinc/45/57/29/608455729.db2.gz OMIXYKMECTUTLN-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826395675 608455730 /nfs/dbraw/zinc/45/57/30/608455730.db2.gz OMIXYKMECTUTLN-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826443899 608812508 /nfs/dbraw/zinc/81/25/08/608812508.db2.gz ITYYWHLCFVWNCF-UHFFFAOYSA-N -1 3 379.340 1.423 20 5 GDBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826443899 608812512 /nfs/dbraw/zinc/81/25/12/608812512.db2.gz ITYYWHLCFVWNCF-UHFFFAOYSA-N -1 3 379.340 1.423 20 5 GDBDHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826396618 609252309 /nfs/dbraw/zinc/25/23/09/609252309.db2.gz FOXOHFURALRQTF-KRWDZBQOSA-N -1 3 394.391 2.000 20 5 GDBDHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826396618 609252311 /nfs/dbraw/zinc/25/23/11/609252311.db2.gz FOXOHFURALRQTF-KRWDZBQOSA-N -1 3 394.391 2.000 20 5 GDBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826483140 609265156 /nfs/dbraw/zinc/26/51/56/609265156.db2.gz CIAUTXAIUSYQOH-UHFFFAOYSA-N -1 3 380.320 1.450 20 5 GDBDHM O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826459043 609357391 /nfs/dbraw/zinc/35/73/91/609357391.db2.gz SFVXIHZACBRGAC-UHFFFAOYSA-N -1 3 380.368 1.788 20 5 GDBDHM O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826459043 609357393 /nfs/dbraw/zinc/35/73/93/609357393.db2.gz SFVXIHZACBRGAC-UHFFFAOYSA-N -1 3 380.368 1.788 20 5 GDBDHM 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NSAYLJXHROCFBO-NSHDSACASA-N -1 3 396.363 1.888 20 5 GDBDHM O=C([O-])[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000739508817 600439763 /nfs/dbraw/zinc/43/97/63/600439763.db2.gz PIIBWQCSSGHVMT-HNNXBMFYSA-N -1 3 397.384 1.428 20 5 GDBDHM O=[N+]([O-])c1ccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000823645104 607462741 /nfs/dbraw/zinc/46/27/41/607462741.db2.gz NXRRFGJLJVXJFI-UHFFFAOYSA-N -1 3 392.422 1.736 20 5 GDBDHM O=[N+]([O-])c1ccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823645104 607462743 /nfs/dbraw/zinc/46/27/43/607462743.db2.gz NXRRFGJLJVXJFI-UHFFFAOYSA-N -1 3 392.422 1.736 20 5 GDBDHM C[C@@H]1CN(CCCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000828450113 601296503 /nfs/dbraw/zinc/29/65/03/601296503.db2.gz OOHMDLRZOUAGHB-CHWSQXEVSA-N -1 3 379.413 1.912 20 5 GDBDHM C[C@H]1CN(CCCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000828450114 601296544 /nfs/dbraw/zinc/29/65/44/601296544.db2.gz OOHMDLRZOUAGHB-STQMWFEESA-N -1 3 379.413 1.912 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826255357 607741047 /nfs/dbraw/zinc/74/10/47/607741047.db2.gz VCRUMYWSAOHLIN-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826255357 607741048 /nfs/dbraw/zinc/74/10/48/607741048.db2.gz VCRUMYWSAOHLIN-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823459787 606289375 /nfs/dbraw/zinc/28/93/75/606289375.db2.gz CQGWYXBLVKOGPV-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823459787 606289377 /nfs/dbraw/zinc/28/93/77/606289377.db2.gz CQGWYXBLVKOGPV-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM COC(=O)[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642213 606298393 /nfs/dbraw/zinc/29/83/93/606298393.db2.gz FVEIHJPGQKGDSU-INIZCTEOSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642213 606298394 /nfs/dbraw/zinc/29/83/94/606298394.db2.gz FVEIHJPGQKGDSU-INIZCTEOSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648647 606368502 /nfs/dbraw/zinc/36/85/02/606368502.db2.gz OWCFGKFSRIOZNG-AWEZNQCLSA-N -1 3 398.335 1.549 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648647 606368504 /nfs/dbraw/zinc/36/85/04/606368504.db2.gz OWCFGKFSRIOZNG-AWEZNQCLSA-N -1 3 398.335 1.549 20 5 GDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823201118 606663259 /nfs/dbraw/zinc/66/32/59/606663259.db2.gz ABDOGNNIDHBSLC-UHFFFAOYSA-N -1 3 389.322 1.895 20 5 GDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823201118 606663260 /nfs/dbraw/zinc/66/32/60/606663260.db2.gz ABDOGNNIDHBSLC-UHFFFAOYSA-N -1 3 389.322 1.895 20 5 GDBDHM O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823665604 606849411 /nfs/dbraw/zinc/84/94/11/606849411.db2.gz RZGWBIDVOHFQCJ-OAHLLOKOSA-N -1 3 379.336 1.218 20 5 GDBDHM O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823665604 606849412 /nfs/dbraw/zinc/84/94/12/606849412.db2.gz RZGWBIDVOHFQCJ-OAHLLOKOSA-N -1 3 379.336 1.218 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822907481 606900049 /nfs/dbraw/zinc/90/00/49/606900049.db2.gz OPBWAQZBSDSZGG-UHFFFAOYSA-N -1 3 388.315 1.732 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822907481 606900050 /nfs/dbraw/zinc/90/00/50/606900050.db2.gz OPBWAQZBSDSZGG-UHFFFAOYSA-N -1 3 388.315 1.732 20 5 GDBDHM CC1(C)CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)S1 ZINC000820606997 606942599 /nfs/dbraw/zinc/94/25/99/606942599.db2.gz HTOHWVGXCBQOQD-UHFFFAOYSA-N -1 3 389.445 1.173 20 5 GDBDHM CC1(C)CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)S1 ZINC000820606997 606942601 /nfs/dbraw/zinc/94/26/01/606942601.db2.gz HTOHWVGXCBQOQD-UHFFFAOYSA-N -1 3 389.445 1.173 20 5 GDBDHM C[C@@H](CC[S@@](C)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249726 607025642 /nfs/dbraw/zinc/02/56/42/607025642.db2.gz YYNMWCDDVLMNOT-UAXLGHPASA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@@H](CC[S@@](C)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249726 607025644 /nfs/dbraw/zinc/02/56/44/607025644.db2.gz YYNMWCDDVLMNOT-UAXLGHPASA-N -1 3 375.414 1.892 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000822655469 607132961 /nfs/dbraw/zinc/13/29/61/607132961.db2.gz KFJGAAIUBOCJQF-WCQYABFASA-N -1 3 386.372 1.651 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000822655469 607132962 /nfs/dbraw/zinc/13/29/62/607132962.db2.gz KFJGAAIUBOCJQF-WCQYABFASA-N -1 3 386.372 1.651 20 5 GDBDHM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825833612 607934091 /nfs/dbraw/zinc/93/40/91/607934091.db2.gz JFEWEGWAJUWSAN-HNNXBMFYSA-N -1 3 381.396 1.886 20 5 GDBDHM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825833612 607934092 /nfs/dbraw/zinc/93/40/92/607934092.db2.gz JFEWEGWAJUWSAN-HNNXBMFYSA-N -1 3 381.396 1.886 20 5 GDBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000826161577 608137255 /nfs/dbraw/zinc/13/72/55/608137255.db2.gz OZBQJZWDDFNJCI-UHFFFAOYSA-N -1 3 398.379 1.981 20 5 GDBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000826161577 608137256 /nfs/dbraw/zinc/13/72/56/608137256.db2.gz OZBQJZWDDFNJCI-UHFFFAOYSA-N -1 3 398.379 1.981 20 5 GDBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826418917 608139949 /nfs/dbraw/zinc/13/99/49/608139949.db2.gz BHSKXVWBIBERNX-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826418917 608139950 /nfs/dbraw/zinc/13/99/50/608139950.db2.gz BHSKXVWBIBERNX-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824727511 608162980 /nfs/dbraw/zinc/16/29/80/608162980.db2.gz ADWFJAZGVSAOKV-WPRPVWTQSA-N -1 3 396.791 1.951 20 5 GDBDHM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824727511 608162983 /nfs/dbraw/zinc/16/29/83/608162983.db2.gz ADWFJAZGVSAOKV-WPRPVWTQSA-N -1 3 396.791 1.951 20 5 GDBDHM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826060443 608233999 /nfs/dbraw/zinc/23/39/99/608233999.db2.gz MSSUVUNHNYGXBX-GWCFXTLKSA-N -1 3 382.384 1.650 20 5 GDBDHM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826060443 608234000 /nfs/dbraw/zinc/23/40/00/608234000.db2.gz MSSUVUNHNYGXBX-GWCFXTLKSA-N -1 3 382.384 1.650 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826501158 608400383 /nfs/dbraw/zinc/40/03/83/608400383.db2.gz CDKODLMCCVRFQH-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826501158 608400385 /nfs/dbraw/zinc/40/03/85/608400385.db2.gz CDKODLMCCVRFQH-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM Cc1cnc(OCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826318843 608400632 /nfs/dbraw/zinc/40/06/32/608400632.db2.gz BZURGJGZZZMWGV-UHFFFAOYSA-N -1 3 390.381 1.331 20 5 GDBDHM Cc1cnc(OCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826318843 608400634 /nfs/dbraw/zinc/40/06/34/608400634.db2.gz BZURGJGZZZMWGV-UHFFFAOYSA-N -1 3 390.381 1.331 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000367772320 609369327 /nfs/dbraw/zinc/36/93/27/609369327.db2.gz ZEOLZDNROBZGTF-HNNXBMFYSA-N -1 3 379.336 1.907 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000367772320 609369329 /nfs/dbraw/zinc/36/93/29/609369329.db2.gz ZEOLZDNROBZGTF-HNNXBMFYSA-N -1 3 379.336 1.907 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826396063 609469465 /nfs/dbraw/zinc/46/94/65/609469465.db2.gz FHNALYVYROORDZ-HNNXBMFYSA-N -1 3 395.379 1.571 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826396063 609469467 /nfs/dbraw/zinc/46/94/67/609469467.db2.gz FHNALYVYROORDZ-HNNXBMFYSA-N -1 3 395.379 1.571 20 5 GDBDHM O=Cc1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826484271 609509015 /nfs/dbraw/zinc/50/90/15/609509015.db2.gz WDJHTLPMPIWBLB-UHFFFAOYSA-N -1 3 389.349 1.496 20 5 GDBDHM O=Cc1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826484271 609509016 /nfs/dbraw/zinc/50/90/16/609509016.db2.gz WDJHTLPMPIWBLB-UHFFFAOYSA-N -1 3 389.349 1.496 20 5 GDBDHM COc1cc(COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826179735 609630317 /nfs/dbraw/zinc/63/03/17/609630317.db2.gz BTDWQOLLIZUMFF-OAHLLOKOSA-N -1 3 385.336 1.560 20 5 GDBDHM COc1cc(COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179735 609630319 /nfs/dbraw/zinc/63/03/19/609630319.db2.gz BTDWQOLLIZUMFF-OAHLLOKOSA-N -1 3 385.336 1.560 20 5 GDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464319 609640440 /nfs/dbraw/zinc/64/04/40/609640440.db2.gz RUROJSUVEDFNEY-OAHLLOKOSA-N -1 3 385.336 1.431 20 5 GDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464319 609640441 /nfs/dbraw/zinc/64/04/41/609640441.db2.gz RUROJSUVEDFNEY-OAHLLOKOSA-N -1 3 385.336 1.431 20 5 GDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)S(C)(=O)=O ZINC000533608520 650210539 /nfs/dbraw/zinc/21/05/39/650210539.db2.gz WKNKESBDFZTCOX-SSDOTTSWSA-N -1 3 390.361 1.325 20 5 GDBDHM CCCCc1nnc([N-]C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000550167169 650590403 /nfs/dbraw/zinc/59/04/03/650590403.db2.gz RSVPTFZORQGLPE-UHFFFAOYSA-N -1 3 385.427 1.689 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCn2cccn2)c1 ZINC000158128949 644833996 /nfs/dbraw/zinc/83/39/96/644833996.db2.gz 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1.888 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000821745177 607415469 /nfs/dbraw/zinc/41/54/69/607415469.db2.gz IJZNEIXEKQVVLU-UHFFFAOYSA-N -1 3 388.315 1.862 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000821745177 607415471 /nfs/dbraw/zinc/41/54/71/607415471.db2.gz IJZNEIXEKQVVLU-UHFFFAOYSA-N -1 3 388.315 1.862 20 5 GDBDHM COc1cc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826181431 607434085 /nfs/dbraw/zinc/43/40/85/607434085.db2.gz ZDVZFXLRRPLJNB-UHFFFAOYSA-N -1 3 384.352 1.825 20 5 GDBDHM COc1cc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826181431 607434086 /nfs/dbraw/zinc/43/40/86/607434086.db2.gz ZDVZFXLRRPLJNB-UHFFFAOYSA-N -1 3 384.352 1.825 20 5 GDBDHM O=C([O-])[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000738526902 600430039 /nfs/dbraw/zinc/43/00/39/600430039.db2.gz XOXXJYCQFVNKPL-OAHLLOKOSA-N -1 3 379.394 1.289 20 5 GDBDHM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826500970 607576249 /nfs/dbraw/zinc/57/62/49/607576249.db2.gz TZQQNBWHXSWPCY-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM Cc1cccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826304753 607605051 /nfs/dbraw/zinc/60/50/51/607605051.db2.gz WSYIVNMTYCYQLR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1c(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236307 607695336 /nfs/dbraw/zinc/69/53/36/607695336.db2.gz GWZQQQBXBFEDSC-UHFFFAOYSA-N -1 3 382.380 1.821 20 5 GDBDHM CCc1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000821476930 606107638 /nfs/dbraw/zinc/10/76/38/606107638.db2.gz VGIUNOURAKBDQA-UHFFFAOYSA-N -1 3 382.384 1.574 20 5 GDBDHM CCc1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000821476930 606107641 /nfs/dbraw/zinc/10/76/41/606107641.db2.gz VGIUNOURAKBDQA-UHFFFAOYSA-N -1 3 382.384 1.574 20 5 GDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000823111126 606142787 /nfs/dbraw/zinc/14/27/87/606142787.db2.gz AOJMKLBYVIMGKQ-UHFFFAOYSA-N -1 3 397.347 1.927 20 5 GDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000823111126 606142788 /nfs/dbraw/zinc/14/27/88/606142788.db2.gz AOJMKLBYVIMGKQ-UHFFFAOYSA-N -1 3 397.347 1.927 20 5 GDBDHM CN(Cc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821612092 606176880 /nfs/dbraw/zinc/17/68/80/606176880.db2.gz IJFXXQHZYUJJNY-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM CN(Cc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821612092 606176882 /nfs/dbraw/zinc/17/68/82/606176882.db2.gz IJFXXQHZYUJJNY-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM COC(=O)[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821642101 606298503 /nfs/dbraw/zinc/29/85/03/606298503.db2.gz DJFBRUTVMDIZEQ-INIZCTEOSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821642101 606298505 /nfs/dbraw/zinc/29/85/05/606298505.db2.gz DJFBRUTVMDIZEQ-INIZCTEOSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648740 606364638 /nfs/dbraw/zinc/36/46/38/606364638.db2.gz RCXHFVUZNJTUMH-CQSZACIVSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648740 606364641 /nfs/dbraw/zinc/36/46/41/606364641.db2.gz RCXHFVUZNJTUMH-CQSZACIVSA-N -1 3 383.320 1.846 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823223523 606403062 /nfs/dbraw/zinc/40/30/62/606403062.db2.gz BESNCEPMCGZZHL-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823223523 606403063 /nfs/dbraw/zinc/40/30/63/606403063.db2.gz BESNCEPMCGZZHL-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM Cc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229480 606417311 /nfs/dbraw/zinc/41/73/11/606417311.db2.gz VRLKWPZVGBVHHO-BDJLRTHQSA-N -1 3 381.396 1.961 20 5 GDBDHM Cc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229480 606417313 /nfs/dbraw/zinc/41/73/13/606417313.db2.gz VRLKWPZVGBVHHO-BDJLRTHQSA-N -1 3 381.396 1.961 20 5 GDBDHM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819992260 606435637 /nfs/dbraw/zinc/43/56/37/606435637.db2.gz TWEUXXVPGUMOSJ-UHFFFAOYSA-N -1 3 388.409 1.989 20 5 GDBDHM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819992260 606435638 /nfs/dbraw/zinc/43/56/38/606435638.db2.gz TWEUXXVPGUMOSJ-UHFFFAOYSA-N -1 3 388.409 1.989 20 5 GDBDHM C[C@H](CO[C@H]1CCOC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287871 606634181 /nfs/dbraw/zinc/63/41/81/606634181.db2.gz RLUSHIJOLUBCHF-PWSUYJOCSA-N -1 3 385.384 1.929 20 5 GDBDHM C[C@H](CO[C@H]1CCOC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287871 606634182 /nfs/dbraw/zinc/63/41/82/606634182.db2.gz RLUSHIJOLUBCHF-PWSUYJOCSA-N -1 3 385.384 1.929 20 5 GDBDHM CCN(C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000821165386 606645522 /nfs/dbraw/zinc/64/55/22/606645522.db2.gz QKUDNCVWNYXLQS-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000822983291 606748242 /nfs/dbraw/zinc/74/82/42/606748242.db2.gz PGIVXIPWIRUGKX-UHFFFAOYSA-N -1 3 383.368 1.758 20 5 GDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000822983291 606748244 /nfs/dbraw/zinc/74/82/44/606748244.db2.gz PGIVXIPWIRUGKX-UHFFFAOYSA-N -1 3 383.368 1.758 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648749 606796970 /nfs/dbraw/zinc/79/69/70/606796970.db2.gz RNKRHWYDKOKLEF-CYBMUJFWSA-N -1 3 384.308 1.241 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648749 606796971 /nfs/dbraw/zinc/79/69/71/606796971.db2.gz RNKRHWYDKOKLEF-CYBMUJFWSA-N -1 3 384.308 1.241 20 5 GDBDHM O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823665603 606849420 /nfs/dbraw/zinc/84/94/20/606849420.db2.gz RZGWBIDVOHFQCJ-HNNXBMFYSA-N -1 3 379.336 1.218 20 5 GDBDHM O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823665603 606849421 /nfs/dbraw/zinc/84/94/21/606849421.db2.gz RZGWBIDVOHFQCJ-HNNXBMFYSA-N -1 3 379.336 1.218 20 5 GDBDHM C[C@H](CC[S@@](C)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249727 607025662 /nfs/dbraw/zinc/02/56/62/607025662.db2.gz YYNMWCDDVLMNOT-ZJJDNZPOSA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@H](CC[S@@](C)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249727 607025663 /nfs/dbraw/zinc/02/56/63/607025663.db2.gz YYNMWCDDVLMNOT-ZJJDNZPOSA-N -1 3 375.414 1.892 20 5 GDBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000821304799 607101227 /nfs/dbraw/zinc/10/12/27/607101227.db2.gz RPJUNEXGXJKXED-UHFFFAOYSA-N -1 3 384.356 1.007 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822271073 607143278 /nfs/dbraw/zinc/14/32/78/607143278.db2.gz LGHMHTHCBBZEMG-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822271073 607143279 /nfs/dbraw/zinc/14/32/79/607143279.db2.gz LGHMHTHCBBZEMG-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1n[nH]c(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000822009694 607188269 /nfs/dbraw/zinc/18/82/69/607188269.db2.gz BNPKYXOWCDYJSS-UHFFFAOYSA-N -1 3 394.355 1.127 20 5 GDBDHM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825833304 607934233 /nfs/dbraw/zinc/93/42/33/607934233.db2.gz FRBZOVWDGZKXSQ-INIZCTEOSA-N -1 3 381.396 1.886 20 5 GDBDHM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825833304 607934234 /nfs/dbraw/zinc/93/42/34/607934234.db2.gz FRBZOVWDGZKXSQ-INIZCTEOSA-N -1 3 381.396 1.886 20 5 GDBDHM CC(C)C(=O)NCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824177267 607934954 /nfs/dbraw/zinc/93/49/54/607934954.db2.gz FZEOTMYNZPQRNM-UHFFFAOYSA-N -1 3 384.400 1.897 20 5 GDBDHM CC(C)C(=O)NCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824177267 607934955 /nfs/dbraw/zinc/93/49/55/607934955.db2.gz FZEOTMYNZPQRNM-UHFFFAOYSA-N -1 3 384.400 1.897 20 5 GDBDHM COc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])cc1OC ZINC000826177146 607953186 /nfs/dbraw/zinc/95/31/86/607953186.db2.gz UIIRKAZDCAHEKK-UHFFFAOYSA-N -1 3 396.363 1.995 20 5 GDBDHM COc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])cc1OC ZINC000826177146 607953187 /nfs/dbraw/zinc/95/31/87/607953187.db2.gz UIIRKAZDCAHEKK-UHFFFAOYSA-N -1 3 396.363 1.995 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826439835 607983856 /nfs/dbraw/zinc/98/38/56/607983856.db2.gz MNPIAQNYONNNRG-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826439835 607983857 /nfs/dbraw/zinc/98/38/57/607983857.db2.gz MNPIAQNYONNNRG-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM CN1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000826022574 608162797 /nfs/dbraw/zinc/16/27/97/608162797.db2.gz OKXQNTYBUZTNCU-SSDOTTSWSA-N -1 3 379.764 1.235 20 5 GDBDHM CN1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000826022574 608162798 /nfs/dbraw/zinc/16/27/98/608162798.db2.gz OKXQNTYBUZTNCU-SSDOTTSWSA-N -1 3 379.764 1.235 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000826176548 608407164 /nfs/dbraw/zinc/40/71/64/608407164.db2.gz UGRICSWXVILFEO-UHFFFAOYSA-N -1 3 392.759 1.678 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000826176548 608407165 /nfs/dbraw/zinc/40/71/65/608407165.db2.gz UGRICSWXVILFEO-UHFFFAOYSA-N -1 3 392.759 1.678 20 5 GDBDHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824633498 608426066 /nfs/dbraw/zinc/42/60/66/608426066.db2.gz ORWBNSKZTGFCSV-NSHDSACASA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824633498 608426068 /nfs/dbraw/zinc/42/60/68/608426068.db2.gz ORWBNSKZTGFCSV-NSHDSACASA-N -1 3 388.409 1.956 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826473565 608721571 /nfs/dbraw/zinc/72/15/71/608721571.db2.gz CVVBWDLHJQCOLO-UHFFFAOYSA-N -1 3 399.436 1.794 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826473565 608721572 /nfs/dbraw/zinc/72/15/72/608721572.db2.gz CVVBWDLHJQCOLO-UHFFFAOYSA-N -1 3 399.436 1.794 20 5 GDBDHM Nc1nc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ncc1[N+](=O)[O-] ZINC000826396374 608866966 /nfs/dbraw/zinc/86/69/66/608866966.db2.gz VBIVMBFLWYIWHJ-UHFFFAOYSA-N -1 3 379.344 1.149 20 5 GDBDHM Nc1nc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ncc1[N+](=O)[O-] ZINC000826396374 608866969 /nfs/dbraw/zinc/86/69/69/608866969.db2.gz VBIVMBFLWYIWHJ-UHFFFAOYSA-N -1 3 379.344 1.149 20 5 GDBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781933938 609370274 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20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nc1 ZINC000826498809 607728938 /nfs/dbraw/zinc/72/89/38/607728938.db2.gz KMPITVAWZAOTIH-JTQLQIEISA-N -1 3 397.355 1.769 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nc1 ZINC000826498809 607728939 /nfs/dbraw/zinc/72/89/39/607728939.db2.gz KMPITVAWZAOTIH-JTQLQIEISA-N -1 3 397.355 1.769 20 5 GDBDHM CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCO1 ZINC000833688920 605021245 /nfs/dbraw/zinc/02/12/45/605021245.db2.gz FQRZIRBZJFVRPM-CYBMUJFWSA-N -1 3 397.453 1.564 20 5 GDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825976973 607739751 /nfs/dbraw/zinc/73/97/51/607739751.db2.gz UFECVNFWKOZEKX-UHFFFAOYSA-N -1 3 388.409 1.737 20 5 GDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825976973 607739752 /nfs/dbraw/zinc/73/97/52/607739752.db2.gz UFECVNFWKOZEKX-UHFFFAOYSA-N -1 3 388.409 1.737 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000821846309 606361342 /nfs/dbraw/zinc/36/13/42/606361342.db2.gz QERGQFLZLYGBOA-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000821846309 606361343 /nfs/dbraw/zinc/36/13/43/606361343.db2.gz QERGQFLZLYGBOA-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM Cc1nn(C)c(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000822496561 606481295 /nfs/dbraw/zinc/48/12/95/606481295.db2.gz QYALELDSNYNNCD-UHFFFAOYSA-N -1 3 383.416 1.898 20 5 GDBDHM Cc1nn(C)c(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000822496561 606481297 /nfs/dbraw/zinc/48/12/97/606481297.db2.gz QYALELDSNYNNCD-UHFFFAOYSA-N -1 3 383.416 1.898 20 5 GDBDHM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820913525 606614519 /nfs/dbraw/zinc/61/45/19/606614519.db2.gz IEEBBNTVNMSEOL-OAHLLOKOSA-N -1 3 395.379 1.981 20 5 GDBDHM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820913525 606614520 /nfs/dbraw/zinc/61/45/20/606614520.db2.gz IEEBBNTVNMSEOL-OAHLLOKOSA-N -1 3 395.379 1.981 20 5 GDBDHM COc1ccccc1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821899206 606706593 /nfs/dbraw/zinc/70/65/93/606706593.db2.gz VWGWQNDUEIMBMV-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM COc1ccccc1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821899206 606706595 /nfs/dbraw/zinc/70/65/95/606706595.db2.gz VWGWQNDUEIMBMV-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000823620933 606709600 /nfs/dbraw/zinc/70/96/00/606709600.db2.gz SYULFUCZGMODNE-OAHLLOKOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000823620933 606709602 /nfs/dbraw/zinc/70/96/02/606709602.db2.gz SYULFUCZGMODNE-OAHLLOKOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823018753 606754135 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BZQCGKFFICNDQN-OAHLLOKOSA-N -1 3 378.352 1.767 20 5 GDBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823409399 606901924 /nfs/dbraw/zinc/90/19/24/606901924.db2.gz GHBXKLKWWDKDFA-UHFFFAOYSA-N -1 3 397.273 1.847 20 5 GDBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823409399 606901925 /nfs/dbraw/zinc/90/19/25/606901925.db2.gz GHBXKLKWWDKDFA-UHFFFAOYSA-N -1 3 397.273 1.847 20 5 GDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823640214 607143648 /nfs/dbraw/zinc/14/36/48/607143648.db2.gz XNDCBTNOPIVQQG-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823640214 607143650 /nfs/dbraw/zinc/14/36/50/607143650.db2.gz XNDCBTNOPIVQQG-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM COCCNC(=O)[C@H](CC(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826160282 607905463 /nfs/dbraw/zinc/90/54/63/607905463.db2.gz MCMANMQRDZTPQM-AWEZNQCLSA-N -1 3 377.405 1.364 20 5 GDBDHM COCCNC(=O)[C@H](CC(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826160282 607905464 /nfs/dbraw/zinc/90/54/64/607905464.db2.gz MCMANMQRDZTPQM-AWEZNQCLSA-N -1 3 377.405 1.364 20 5 GDBDHM CCS(=O)(=O)CCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825663395 607968625 /nfs/dbraw/zinc/96/86/25/607968625.db2.gz NDQNHCYMFZFZFA-UHFFFAOYSA-N -1 3 391.413 1.194 20 5 GDBDHM CCS(=O)(=O)CCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825663395 607968626 /nfs/dbraw/zinc/96/86/26/607968626.db2.gz NDQNHCYMFZFZFA-UHFFFAOYSA-N -1 3 391.413 1.194 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824010958 607973102 /nfs/dbraw/zinc/97/31/02/607973102.db2.gz VLLXMOYMMVDEJI-UHFFFAOYSA-N -1 3 382.336 1.995 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824010958 607973103 /nfs/dbraw/zinc/97/31/03/607973103.db2.gz VLLXMOYMMVDEJI-UHFFFAOYSA-N -1 3 382.336 1.995 20 5 GDBDHM O=[N+]([O-])c1cccc([C@H](O)CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826499530 608071309 /nfs/dbraw/zinc/07/13/09/608071309.db2.gz MMIWZMBZLUSOJW-QZTJIDSGSA-N -1 3 396.407 1.882 20 5 GDBDHM O=[N+]([O-])c1cccc([C@H](O)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826499530 608071310 /nfs/dbraw/zinc/07/13/10/608071310.db2.gz MMIWZMBZLUSOJW-QZTJIDSGSA-N -1 3 396.407 1.882 20 5 GDBDHM Cc1cc(C)n(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265294 608163451 /nfs/dbraw/zinc/16/34/51/608163451.db2.gz TUJQDIIMNGFNSE-UHFFFAOYSA-N -1 3 376.764 1.880 20 5 GDBDHM Cc1cc(C)n(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265294 608163452 /nfs/dbraw/zinc/16/34/52/608163452.db2.gz TUJQDIIMNGFNSE-UHFFFAOYSA-N -1 3 376.764 1.880 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000826171980 608348264 /nfs/dbraw/zinc/34/82/64/608348264.db2.gz HRODWPFRXOJBMS-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000826171980 608348266 /nfs/dbraw/zinc/34/82/66/608348266.db2.gz HRODWPFRXOJBMS-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM Cc1nccn1-c1ncccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826330707 608383516 /nfs/dbraw/zinc/38/35/16/608383516.db2.gz FEXSHWMOOVKZLC-UHFFFAOYSA-N -1 3 378.356 1.671 20 5 GDBDHM Cc1nccn1-c1ncccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826330707 608383518 /nfs/dbraw/zinc/38/35/18/608383518.db2.gz FEXSHWMOOVKZLC-UHFFFAOYSA-N -1 3 378.356 1.671 20 5 GDBDHM Cn1cnnc1[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826365975 608443983 /nfs/dbraw/zinc/44/39/83/608443983.db2.gz MOIHHOPWYYYAKJ-CQSZACIVSA-N -1 3 392.383 1.793 20 5 GDBDHM Cn1cnnc1[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826365975 608443985 /nfs/dbraw/zinc/44/39/85/608443985.db2.gz MOIHHOPWYYYAKJ-CQSZACIVSA-N -1 3 392.383 1.793 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824473252 608471279 /nfs/dbraw/zinc/47/12/79/608471279.db2.gz YZRKSCLXQUCHGN-VIFPVBQESA-N 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ZINC000824029888 607679342 /nfs/dbraw/zinc/67/93/42/607679342.db2.gz TUBJZRRTULPPNO-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633858 607739799 /nfs/dbraw/zinc/73/97/99/607739799.db2.gz QWRUKXOUVIKDAY-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633858 607739800 /nfs/dbraw/zinc/73/98/00/607739800.db2.gz QWRUKXOUVIKDAY-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM CCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821475928 606130855 /nfs/dbraw/zinc/13/08/55/606130855.db2.gz DIHUTAGAHRCKOA-OAHLLOKOSA-N -1 3 396.363 1.721 20 5 GDBDHM CCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821475928 606130856 /nfs/dbraw/zinc/13/08/56/606130856.db2.gz DIHUTAGAHRCKOA-OAHLLOKOSA-N -1 3 396.363 1.721 20 5 GDBDHM COC(=O)c1cc(NCCNc2ccc(-c3nnn[n-]3)cn2)cc(C)c1[N+](=O)[O-] ZINC000821668254 606787117 /nfs/dbraw/zinc/78/71/17/606787117.db2.gz XJTUNBKOJUPKLK-UHFFFAOYSA-N -1 3 398.383 1.789 20 5 GDBDHM COC(=O)c1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)cc(C)c1[N+](=O)[O-] ZINC000821668254 606787118 /nfs/dbraw/zinc/78/71/18/606787118.db2.gz XJTUNBKOJUPKLK-UHFFFAOYSA-N -1 3 398.383 1.789 20 5 GDBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc([N+](=O)[O-])cn1 ZINC000823445128 606797672 /nfs/dbraw/zinc/79/76/72/606797672.db2.gz SWYFKEPMEGNLDU-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc([N+](=O)[O-])cn1 ZINC000823445128 606797673 /nfs/dbraw/zinc/79/76/73/606797673.db2.gz SWYFKEPMEGNLDU-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM C[C@H](CC[S@](C)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249724 607025894 /nfs/dbraw/zinc/02/58/94/607025894.db2.gz YYNMWCDDVLMNOT-BGGANLFTSA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@H](CC[S@](C)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249724 607025895 /nfs/dbraw/zinc/02/58/95/607025895.db2.gz YYNMWCDDVLMNOT-BGGANLFTSA-N -1 3 375.414 1.892 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000823650893 607175864 /nfs/dbraw/zinc/17/58/64/607175864.db2.gz CYIVMEJQTSUHCP-UHFFFAOYSA-N -1 3 387.310 1.910 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000823650893 607175865 /nfs/dbraw/zinc/17/58/65/607175865.db2.gz CYIVMEJQTSUHCP-UHFFFAOYSA-N -1 3 387.310 1.910 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c([N+](=O)[O-])n1 ZINC000825804903 607851783 /nfs/dbraw/zinc/85/17/83/607851783.db2.gz JXQOKIKZJSSXJJ-UHFFFAOYSA-N -1 3 379.358 1.067 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c([N+](=O)[O-])n1 ZINC000825804903 607851784 /nfs/dbraw/zinc/85/17/84/607851784.db2.gz JXQOKIKZJSSXJJ-UHFFFAOYSA-N -1 3 379.358 1.067 20 5 GDBDHM CC(=O)c1cccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000824029931 607870469 /nfs/dbraw/zinc/87/04/69/607870469.db2.gz VSERSBNKKSFZQV-CQSZACIVSA-N -1 3 399.363 1.796 20 5 GDBDHM CC(=O)c1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000824029931 607870470 /nfs/dbraw/zinc/87/04/70/607870470.db2.gz VSERSBNKKSFZQV-CQSZACIVSA-N -1 3 399.363 1.796 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824009645 607972895 /nfs/dbraw/zinc/97/28/95/607972895.db2.gz BUUKWAUIHRDEDI-UHFFFAOYSA-N -1 3 396.363 1.673 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824009645 607972896 /nfs/dbraw/zinc/97/28/96/607972896.db2.gz BUUKWAUIHRDEDI-UHFFFAOYSA-N -1 3 396.363 1.673 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824010383 607981683 /nfs/dbraw/zinc/98/16/83/607981683.db2.gz LNPVPHIHQYKNFE-AWEZNQCLSA-N -1 3 399.363 1.796 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474075 608084330 /nfs/dbraw/zinc/08/43/30/608084330.db2.gz ZHEYVPKPLZFCGU-OAHLLOKOSA-N -1 3 381.352 1.384 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474075 608084331 /nfs/dbraw/zinc/08/43/31/608084331.db2.gz ZHEYVPKPLZFCGU-OAHLLOKOSA-N -1 3 381.352 1.384 20 5 GDBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826475104 608123927 /nfs/dbraw/zinc/12/39/27/608123927.db2.gz SKMIIVKCAIBAQI-UHFFFAOYSA-N -1 3 384.356 1.182 20 5 GDBDHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826098555 608237807 /nfs/dbraw/zinc/23/78/07/608237807.db2.gz IDIGUCQOKUELOT-SNVBAGLBSA-N -1 3 375.389 1.586 20 5 GDBDHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826098555 608237808 /nfs/dbraw/zinc/23/78/08/608237808.db2.gz IDIGUCQOKUELOT-SNVBAGLBSA-N -1 3 375.389 1.586 20 5 GDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826499256 608330612 /nfs/dbraw/zinc/33/06/12/608330612.db2.gz BGBWPEHSUJXPES-UHFFFAOYSA-N -1 3 392.372 1.534 20 5 GDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826499256 608330613 /nfs/dbraw/zinc/33/06/13/608330613.db2.gz BGBWPEHSUJXPES-UHFFFAOYSA-N -1 3 392.372 1.534 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826298888 608472966 /nfs/dbraw/zinc/47/29/66/608472966.db2.gz JYFCBUZYQZHLFW-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826298888 608472967 /nfs/dbraw/zinc/47/29/67/608472967.db2.gz JYFCBUZYQZHLFW-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826363004 608485056 /nfs/dbraw/zinc/48/50/56/608485056.db2.gz RXBZGHVSNPRVPF-UHFFFAOYSA-N -1 3 380.368 1.438 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826363004 608485057 /nfs/dbraw/zinc/48/50/57/608485057.db2.gz RXBZGHVSNPRVPF-UHFFFAOYSA-N -1 3 380.368 1.438 20 5 GDBDHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000826429885 608604015 /nfs/dbraw/zinc/60/40/15/608604015.db2.gz OZPYWMSYPBKVQC-UHFFFAOYSA-N -1 3 399.371 1.013 20 5 GDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000825971561 609427967 /nfs/dbraw/zinc/42/79/67/609427967.db2.gz LLJRFQKIIXKAIL-UHFFFAOYSA-N -1 3 382.336 1.776 20 5 GDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000825971561 609427969 /nfs/dbraw/zinc/42/79/69/609427969.db2.gz LLJRFQKIIXKAIL-UHFFFAOYSA-N -1 3 382.336 1.776 20 5 GDBDHM COc1cc(COC(=O)COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180013 609460534 /nfs/dbraw/zinc/46/05/34/609460534.db2.gz OSMJTGFWYRIXIU-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM COc1cc(COC(=O)COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826180013 609460537 /nfs/dbraw/zinc/46/05/37/609460537.db2.gz OSMJTGFWYRIXIU-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000825610279 609512327 /nfs/dbraw/zinc/51/23/27/609512327.db2.gz ZIWSGSFYCPVZAT-UHFFFAOYSA-N -1 3 393.747 1.780 20 5 GDBDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000825610279 609512328 /nfs/dbraw/zinc/51/23/28/609512328.db2.gz ZIWSGSFYCPVZAT-UHFFFAOYSA-N -1 3 393.747 1.780 20 5 GDBDHM CS(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000546885378 650489325 /nfs/dbraw/zinc/48/93/25/650489325.db2.gz VZTLXBOHRPQTIN-OAHLLOKOSA-N -1 3 384.435 1.659 20 5 GDBDHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331334096 645501511 /nfs/dbraw/zinc/50/15/11/645501511.db2.gz JDJSNJQQWNFXOX-VIFPVBQESA-N -1 3 392.231 1.256 20 5 GDBDHM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000420698779 645950831 /nfs/dbraw/zinc/95/08/31/645950831.db2.gz AKSNZYMJAVIPBX-UHFFFAOYSA-N -1 3 381.332 1.548 20 5 GDBDHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000571956669 651087945 /nfs/dbraw/zinc/08/79/45/651087945.db2.gz MMCXBKRCWJMXKN-UHFFFAOYSA-N -1 3 383.411 1.532 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)nc1 ZINC000593561960 652215972 /nfs/dbraw/zinc/21/59/72/652215972.db2.gz BMIOAYDANUHSDZ-JTQLQIEISA-N -1 3 383.817 1.595 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(C(F)(F)F)c1 ZINC000593637475 652229552 /nfs/dbraw/zinc/22/95/52/652229552.db2.gz PFWVZBUUKVJOJO-GFCCVEGCSA-N -1 3 384.332 1.433 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(Br)c1 ZINC000593638202 652229572 /nfs/dbraw/zinc/22/95/72/652229572.db2.gz ZKXAPWULGKFUHX-GFCCVEGCSA-N -1 3 395.231 1.177 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598939461 652475967 /nfs/dbraw/zinc/47/59/67/652475967.db2.gz JVAANBMPGNHVQN-AWEZNQCLSA-N -1 3 381.435 1.956 20 5 GDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000604043435 652734480 /nfs/dbraw/zinc/73/44/80/652734480.db2.gz ILMHEZXESJKPRT-UHFFFAOYSA-N -1 3 386.407 1.930 20 5 GDBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC ZINC000742286821 654700085 /nfs/dbraw/zinc/70/00/85/654700085.db2.gz MOJJAXMCMPYDNA-LBPRGKRZSA-N -1 3 395.231 1.977 20 5 GDBDHM NS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000777904233 654725618 /nfs/dbraw/zinc/72/56/18/654725618.db2.gz ZSOSYLQFVYUKEP-UHFFFAOYSA-N -1 3 391.377 1.712 20 5 GDBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000745151990 654742318 /nfs/dbraw/zinc/74/23/18/654742318.db2.gz UJFZGYNGMCZWKO-UHFFFAOYSA-N -1 3 392.436 1.345 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)F)cc1Br ZINC000758235429 655054524 /nfs/dbraw/zinc/05/45/24/655054524.db2.gz QJRKFICQMRPCMJ-LURJTMIESA-N -1 3 389.174 1.652 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)ccc1Br ZINC000758251784 655055111 /nfs/dbraw/zinc/05/51/11/655055111.db2.gz BUJGKZGEZVWSDF-ZCFIWIBFSA-N -1 3 389.174 1.652 20 5 GDBDHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1 ZINC000759168846 655078953 /nfs/dbraw/zinc/07/89/53/655078953.db2.gz TZHPITZJEFNIMY-UHFFFAOYSA-N -1 3 386.773 1.735 20 5 GDBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000822193363 945977096 /nfs/dbraw/zinc/97/70/96/945977096.db2.gz UVGYZZFODCFEMC-NSHDSACASA-N -1 3 376.402 1.136 20 5 GDBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000822193363 945977107 /nfs/dbraw/zinc/97/71/07/945977107.db2.gz UVGYZZFODCFEMC-NSHDSACASA-N -1 3 376.402 1.136 20 5 GDBDHM Cn1ccnc1CN1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000826364016 948140624 /nfs/dbraw/zinc/14/06/24/948140624.db2.gz IFIOTUFKFNZRRQ-ZDUSSCGKSA-N -1 3 397.399 1.112 20 5 GDBDHM Cn1ccnc1CN1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000826364016 948140628 /nfs/dbraw/zinc/14/06/28/948140628.db2.gz IFIOTUFKFNZRRQ-ZDUSSCGKSA-N -1 3 397.399 1.112 20 5 GDBDHM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575206797 952531095 /nfs/dbraw/zinc/53/10/95/952531095.db2.gz LWAIECJIOUIKFP-SNVBAGLBSA-N -1 3 393.367 1.380 20 5 GDBDHM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575206797 952531098 /nfs/dbraw/zinc/53/10/98/952531098.db2.gz LWAIECJIOUIKFP-SNVBAGLBSA-N -1 3 393.367 1.380 20 5 GDBDHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001593700044 954103536 /nfs/dbraw/zinc/10/35/36/954103536.db2.gz YJLLBWJCLLHVRY-UHFFFAOYSA-N -1 3 389.206 1.028 20 5 GDBDHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842934081 955611608 /nfs/dbraw/zinc/61/16/08/955611608.db2.gz AERJRTXEEGJNCG-CABCVRRESA-N -1 3 390.440 1.429 20 5 GDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)n1 ZINC001327206329 961149281 /nfs/dbraw/zinc/14/92/81/961149281.db2.gz PKOPOCMVZJVXRF-DOMZBBRYSA-N -1 3 377.445 1.459 20 5 GDBDHM 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O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)ccc1Br ZINC000162790015 530571071 /nfs/dbraw/zinc/57/10/71/530571071.db2.gz LVQRQOPRXZCJON-PELKAZGASA-N -1 3 379.232 1.797 20 5 GDBDHM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179025527 530734197 /nfs/dbraw/zinc/73/41/97/530734197.db2.gz SCNKLXKQSLJMCA-SNVBAGLBSA-N -1 3 381.332 1.561 20 5 GDBDHM CN(C)C(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179028674 530734339 /nfs/dbraw/zinc/73/43/39/530734339.db2.gz MIDCNDWTTVTMPQ-UHFFFAOYSA-N -1 3 383.348 1.760 20 5 GDBDHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000108400052 530857226 /nfs/dbraw/zinc/85/72/26/530857226.db2.gz CCDYKYPAWNOYAE-GFCCVEGCSA-N -1 3 377.850 1.637 20 5 GDBDHM C[C@@H](CCN1CCN(C)CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185337563 530840567 /nfs/dbraw/zinc/84/05/67/530840567.db2.gz RVQIKRHSGUQWBF-LBPRGKRZSA-N -1 3 390.893 1.553 20 5 GDBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(C)CC1 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ZINC000298841466 531930506 /nfs/dbraw/zinc/93/05/06/531930506.db2.gz HWRIYPRFIWUWKP-UHFFFAOYSA-N -1 3 384.439 1.568 20 5 GDBDHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000271745708 532048998 /nfs/dbraw/zinc/04/89/98/532048998.db2.gz XIJBIJQOGLHMGC-XCBNKYQSSA-N -1 3 399.288 1.748 20 5 GDBDHM CON1CCC([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000420746461 532049296 /nfs/dbraw/zinc/04/92/96/532049296.db2.gz FMMAOEQKOQUBBE-UHFFFAOYSA-N -1 3 394.247 1.661 20 5 GDBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000285386856 532077418 /nfs/dbraw/zinc/07/74/18/532077418.db2.gz NTBCXCAPTOXBSF-ZCFIWIBFSA-N -1 3 390.219 1.823 20 5 GDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCC2)c1[N+](=O)[O-] ZINC000285678155 532104805 /nfs/dbraw/zinc/10/48/05/532104805.db2.gz QUKILKGRIZVDMW-UHFFFAOYSA-N -1 3 390.483 1.847 20 5 GDBDHM CN1CC=C(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000273981863 532179047 /nfs/dbraw/zinc/17/90/47/532179047.db2.gz QOXLYWYZFBKEFA-UHFFFAOYSA-N -1 3 390.259 1.898 20 5 GDBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)OC ZINC000274213124 532195141 /nfs/dbraw/zinc/19/51/41/532195141.db2.gz QTVQDXGHLRJQHE-JTQLQIEISA-N -1 3 384.332 1.930 20 5 GDBDHM NC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000287311649 532208200 /nfs/dbraw/zinc/20/82/00/532208200.db2.gz FAKNWMXFRIMQAT-VIFPVBQESA-N -1 3 376.822 1.317 20 5 GDBDHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287319002 532208568 /nfs/dbraw/zinc/20/85/68/532208568.db2.gz FLPGZTCGDHXJEM-VIFPVBQESA-N -1 3 385.167 1.147 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000275073143 532261307 /nfs/dbraw/zinc/26/13/07/532261307.db2.gz LAGNVEPAVVMHIM-ZFWWWQNUSA-N -1 3 376.406 1.962 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000275318455 532286003 /nfs/dbraw/zinc/28/60/03/532286003.db2.gz XIUPSOLZQWHMIQ-VIFPVBQESA-N -1 3 375.378 1.032 20 5 GDBDHM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOC1=O ZINC000289450672 532324474 /nfs/dbraw/zinc/32/44/74/532324474.db2.gz FOZMIOIPQGAKDK-LLVKDONJSA-N -1 3 379.188 1.341 20 5 GDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738358260 598874571 /nfs/dbraw/zinc/87/45/71/598874571.db2.gz DETKDGXVXYXRRT-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000738358260 598874573 /nfs/dbraw/zinc/87/45/73/598874573.db2.gz DETKDGXVXYXRRT-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM COC(=O)[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892638 598878424 /nfs/dbraw/zinc/87/84/24/598878424.db2.gz AYYWOVUARBYRED-MRXNPFEDSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892638 598878425 /nfs/dbraw/zinc/87/84/25/598878425.db2.gz AYYWOVUARBYRED-MRXNPFEDSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900263 598893518 /nfs/dbraw/zinc/89/35/18/598893518.db2.gz RMRCKPNXVXSHSR-CQSZACIVSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900263 598893519 /nfs/dbraw/zinc/89/35/19/598893519.db2.gz RMRCKPNXVXSHSR-CQSZACIVSA-N -1 3 383.320 1.846 20 5 GDBDHM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737483755 598922785 /nfs/dbraw/zinc/92/27/85/598922785.db2.gz YSLDXCCUGYBWOW-UHFFFAOYSA-N -1 3 391.351 1.338 20 5 GDBDHM CCc1nncn1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821553450 599090241 /nfs/dbraw/zinc/09/02/41/599090241.db2.gz IKJQJVIAWRBSKI-UHFFFAOYSA-N -1 3 380.372 1.589 20 5 GDBDHM CCc1nncn1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821553450 599090244 /nfs/dbraw/zinc/09/02/44/599090244.db2.gz IKJQJVIAWRBSKI-UHFFFAOYSA-N -1 3 380.372 1.589 20 5 GDBDHM Cc1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737238445 599113489 /nfs/dbraw/zinc/11/34/89/599113489.db2.gz NCVCELPBCYYWOK-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737238445 599113490 /nfs/dbraw/zinc/11/34/90/599113490.db2.gz NCVCELPBCYYWOK-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM COc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737073096 599113637 /nfs/dbraw/zinc/11/36/37/599113637.db2.gz ZEHBHMOARDTCLY-AWEZNQCLSA-N -1 3 398.335 1.167 20 5 GDBDHM COc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737073096 599113639 /nfs/dbraw/zinc/11/36/39/599113639.db2.gz ZEHBHMOARDTCLY-AWEZNQCLSA-N -1 3 398.335 1.167 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821755385 599148261 /nfs/dbraw/zinc/14/82/61/599148261.db2.gz FRQWCIIGDGCNPQ-UHFFFAOYSA-N -1 3 383.368 1.858 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821755385 599148263 /nfs/dbraw/zinc/14/82/63/599148263.db2.gz FRQWCIIGDGCNPQ-UHFFFAOYSA-N -1 3 383.368 1.858 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2nnn[n-]2)c1 ZINC000823651160 599186802 /nfs/dbraw/zinc/18/68/02/599186802.db2.gz HJDWTBRDMZBEMP-UHFFFAOYSA-N -1 3 397.355 1.405 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2nn[n-]n2)c1 ZINC000823651160 599186805 /nfs/dbraw/zinc/18/68/05/599186805.db2.gz HJDWTBRDMZBEMP-UHFFFAOYSA-N -1 3 397.355 1.405 20 5 GDBDHM CNc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000736888198 599243697 /nfs/dbraw/zinc/24/36/97/599243697.db2.gz VJRZVZXTJLPARE-UHFFFAOYSA-N -1 3 383.368 1.625 20 5 GDBDHM COC(=O)C1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736912263 599255286 /nfs/dbraw/zinc/25/52/86/599255286.db2.gz NIZDOGPEPQIOIP-UHFFFAOYSA-N -1 3 383.368 1.713 20 5 GDBDHM COC(=O)C1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736912263 599255288 /nfs/dbraw/zinc/25/52/88/599255288.db2.gz NIZDOGPEPQIOIP-UHFFFAOYSA-N -1 3 383.368 1.713 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000738359574 598245579 /nfs/dbraw/zinc/24/55/79/598245579.db2.gz SXJJAGUDXUBTSL-SNVBAGLBSA-N -1 3 392.322 1.905 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000738359574 598245580 /nfs/dbraw/zinc/24/55/80/598245580.db2.gz SXJJAGUDXUBTSL-SNVBAGLBSA-N -1 3 392.322 1.905 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737410081 598312464 /nfs/dbraw/zinc/31/24/64/598312464.db2.gz DZRMTBSDQXNZCI-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737410081 598312466 /nfs/dbraw/zinc/31/24/66/598312466.db2.gz DZRMTBSDQXNZCI-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)nn1 ZINC000737353982 598335378 /nfs/dbraw/zinc/33/53/78/598335378.db2.gz YYCRBRLZGOKECP-ZDUSSCGKSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nn1 ZINC000737353982 598335379 /nfs/dbraw/zinc/33/53/79/598335379.db2.gz YYCRBRLZGOKECP-ZDUSSCGKSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737497709 598367778 /nfs/dbraw/zinc/36/77/78/598367778.db2.gz DUZJERGZGVYZNW-UHFFFAOYSA-N -1 3 383.324 1.274 20 5 GDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737497709 598367780 /nfs/dbraw/zinc/36/77/80/598367780.db2.gz DUZJERGZGVYZNW-UHFFFAOYSA-N -1 3 383.324 1.274 20 5 GDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000738194295 598380363 /nfs/dbraw/zinc/38/03/63/598380363.db2.gz CBUUQWBKCOLSKD-UHFFFAOYSA-N -1 3 390.157 1.607 20 5 GDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000738194295 598380365 /nfs/dbraw/zinc/38/03/65/598380365.db2.gz CBUUQWBKCOLSKD-UHFFFAOYSA-N -1 3 390.157 1.607 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826418305 607358140 /nfs/dbraw/zinc/35/81/40/607358140.db2.gz ZVFXUJADVKFGJR-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826418305 607358142 /nfs/dbraw/zinc/35/81/42/607358142.db2.gz ZVFXUJADVKFGJR-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nn1 ZINC000737352793 598502649 /nfs/dbraw/zinc/50/26/49/598502649.db2.gz SALYNZWBCRPPJK-LLVKDONJSA-N -1 3 382.388 1.349 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nn1 ZINC000737352793 598502650 /nfs/dbraw/zinc/50/26/50/598502650.db2.gz SALYNZWBCRPPJK-LLVKDONJSA-N -1 3 382.388 1.349 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738249812 598564563 /nfs/dbraw/zinc/56/45/63/598564563.db2.gz WRODLNPXDYLHEJ-UHFFFAOYSA-N -1 3 382.384 1.061 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738249812 598564564 /nfs/dbraw/zinc/56/45/64/598564564.db2.gz WRODLNPXDYLHEJ-UHFFFAOYSA-N -1 3 382.384 1.061 20 5 GDBDHM Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737483937 598569063 /nfs/dbraw/zinc/56/90/63/598569063.db2.gz QRIRESMLAQMNFG-UHFFFAOYSA-N -1 3 392.173 1.925 20 5 GDBDHM Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737483937 598569064 /nfs/dbraw/zinc/56/90/64/598569064.db2.gz QRIRESMLAQMNFG-UHFFFAOYSA-N -1 3 392.173 1.925 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000738368057 598694567 /nfs/dbraw/zinc/69/45/67/598694567.db2.gz ZOJGAPQCUDQCAU-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM Nc1nc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000737775963 598756255 /nfs/dbraw/zinc/75/62/55/598756255.db2.gz FEHHUPNAMCGXFJ-UHFFFAOYSA-N -1 3 383.372 1.195 20 5 GDBDHM COC(=O)[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000821644497 599383353 /nfs/dbraw/zinc/38/33/53/599383353.db2.gz BAUZCIYBTYGTNC-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM COC(=O)[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000821644497 599383355 /nfs/dbraw/zinc/38/33/55/599383355.db2.gz BAUZCIYBTYGTNC-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H](C)N1CCOCC1 ZINC000820452129 599527794 /nfs/dbraw/zinc/52/77/94/599527794.db2.gz ZYRRRYBTWLPFOC-RYUDHWBXSA-N -1 3 398.427 1.844 20 5 GDBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H](C)N1CCOCC1 ZINC000820452129 599527796 /nfs/dbraw/zinc/52/77/96/599527796.db2.gz ZYRRRYBTWLPFOC-RYUDHWBXSA-N -1 3 398.427 1.844 20 5 GDBDHM NC(=O)[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822860131 599567829 /nfs/dbraw/zinc/56/78/29/599567829.db2.gz NSLRRNZHVHTWNM-NXEZZACHSA-N -1 3 382.384 1.779 20 5 GDBDHM NC(=O)[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822860131 599567830 /nfs/dbraw/zinc/56/78/30/599567830.db2.gz NSLRRNZHVHTWNM-NXEZZACHSA-N -1 3 382.384 1.779 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccnc1Cl ZINC000738358725 599594666 /nfs/dbraw/zinc/59/46/66/599594666.db2.gz OHNIZPKBIPRRKI-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccnc1Cl ZINC000738358725 599594667 /nfs/dbraw/zinc/59/46/67/599594667.db2.gz OHNIZPKBIPRRKI-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM Cc1c(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236352 607390554 /nfs/dbraw/zinc/39/05/54/607390554.db2.gz IKFMUHKWSZZBEX-INIZCTEOSA-N -1 3 396.363 1.396 20 5 GDBDHM Cc1c(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236352 607390555 /nfs/dbraw/zinc/39/05/55/607390555.db2.gz IKFMUHKWSZZBEX-INIZCTEOSA-N -1 3 396.363 1.396 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826500371 607591768 /nfs/dbraw/zinc/59/17/68/607591768.db2.gz WAMVRGFQXOJVJX-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826499604 607741823 /nfs/dbraw/zinc/74/18/23/607741823.db2.gz PEZMKDYNPCVSDU-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826499604 607741824 /nfs/dbraw/zinc/74/18/24/607741824.db2.gz PEZMKDYNPCVSDU-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826424653 607770826 /nfs/dbraw/zinc/77/08/26/607770826.db2.gz WZGDYWIWTJBDJS-UHFFFAOYSA-N -1 3 397.380 1.734 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826424653 607770827 /nfs/dbraw/zinc/77/08/27/607770827.db2.gz WZGDYWIWTJBDJS-UHFFFAOYSA-N -1 3 397.380 1.734 20 5 GDBDHM CCOc1cc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000821400851 606446865 /nfs/dbraw/zinc/44/68/65/606446865.db2.gz QJVCOWFLVSFUCW-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM CCOc1cc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000821400851 606446867 /nfs/dbraw/zinc/44/68/67/606446867.db2.gz QJVCOWFLVSFUCW-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM CCCNC(=O)CN1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821114437 606644864 /nfs/dbraw/zinc/64/48/64/606644864.db2.gz SBFVGTCNZGNEPR-UHFFFAOYSA-N -1 3 388.432 1.177 20 5 GDBDHM CCCNC(=O)CN1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821114437 606644865 /nfs/dbraw/zinc/64/48/65/606644865.db2.gz SBFVGTCNZGNEPR-UHFFFAOYSA-N -1 3 388.432 1.177 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000821701992 606778603 /nfs/dbraw/zinc/77/86/03/606778603.db2.gz COPRHRQNZRTEPJ-UHFFFAOYSA-N -1 3 392.759 1.678 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000821701992 606778605 /nfs/dbraw/zinc/77/86/05/606778605.db2.gz COPRHRQNZRTEPJ-UHFFFAOYSA-N -1 3 392.759 1.678 20 5 GDBDHM Nc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc(F)cc1[N+](=O)[O-] ZINC000822903934 606995848 /nfs/dbraw/zinc/99/58/48/606995848.db2.gz QIKKCQIRQSSARQ-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc(F)cc1[N+](=O)[O-] ZINC000822903934 606995850 /nfs/dbraw/zinc/99/58/50/606995850.db2.gz QIKKCQIRQSSARQ-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155450 607039308 /nfs/dbraw/zinc/03/93/08/607039308.db2.gz ZNILBQBJCDOFCX-GFCCVEGCSA-N -1 3 397.395 1.546 20 5 GDBDHM CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155450 607039310 /nfs/dbraw/zinc/03/93/10/607039310.db2.gz ZNILBQBJCDOFCX-GFCCVEGCSA-N -1 3 397.395 1.546 20 5 GDBDHM COc1cccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000821864088 607040391 /nfs/dbraw/zinc/04/03/91/607040391.db2.gz STPSSLRGQSYHBN-OAHLLOKOSA-N -1 3 383.368 1.756 20 5 GDBDHM COc1cccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000821864088 607040393 /nfs/dbraw/zinc/04/03/93/607040393.db2.gz STPSSLRGQSYHBN-OAHLLOKOSA-N -1 3 383.368 1.756 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735633044 607235335 /nfs/dbraw/zinc/23/53/35/607235335.db2.gz LSEPDJFLRKXBEK-VIFPVBQESA-N -1 3 376.377 1.273 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735633044 607235336 /nfs/dbraw/zinc/23/53/36/607235336.db2.gz LSEPDJFLRKXBEK-VIFPVBQESA-N -1 3 376.377 1.273 20 5 GDBDHM COC(=O)c1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1 ZINC000821666775 607245328 /nfs/dbraw/zinc/24/53/28/607245328.db2.gz FGBYGGIPDHWMAK-UHFFFAOYSA-N -1 3 387.283 1.920 20 5 GDBDHM COC(=O)c1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1 ZINC000821666775 607245329 /nfs/dbraw/zinc/24/53/29/607245329.db2.gz FGBYGGIPDHWMAK-UHFFFAOYSA-N -1 3 387.283 1.920 20 5 GDBDHM CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1-c1nnn[n-]1 ZINC000825833179 607789810 /nfs/dbraw/zinc/78/98/10/607789810.db2.gz AXVKPJIKBAGDQT-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1-c1nn[n-]n1 ZINC000825833179 607789811 /nfs/dbraw/zinc/78/98/11/607789811.db2.gz AXVKPJIKBAGDQT-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM CC(=O)OC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824010061 607809902 /nfs/dbraw/zinc/80/99/02/607809902.db2.gz HPPWSDPIRLRSKS-UHFFFAOYSA-N -1 3 383.368 1.855 20 5 GDBDHM CC(=O)OC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824010061 607809903 /nfs/dbraw/zinc/80/99/03/607809903.db2.gz HPPWSDPIRLRSKS-UHFFFAOYSA-N -1 3 383.368 1.855 20 5 GDBDHM Cn1cc([C@H](CO)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000826358708 607935031 /nfs/dbraw/zinc/93/50/31/607935031.db2.gz FEGXKPQLNOWMGR-AWEZNQCLSA-N -1 3 381.356 1.202 20 5 GDBDHM Cn1cc([C@H](CO)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000826358708 607935032 /nfs/dbraw/zinc/93/50/32/607935032.db2.gz FEGXKPQLNOWMGR-AWEZNQCLSA-N -1 3 381.356 1.202 20 5 GDBDHM 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COC(=O)[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCOC1 ZINC000268075351 531472629 /nfs/dbraw/zinc/47/26/29/531472629.db2.gz SPGQURNDLDGBQW-CYBMUJFWSA-N -1 3 378.790 1.167 20 5 GDBDHM CN1CC=C(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000545464781 531492274 /nfs/dbraw/zinc/49/22/74/531492274.db2.gz KBDAKHDEZOEOLJ-UHFFFAOYSA-N -1 3 390.259 1.898 20 5 GDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000610957439 531519463 /nfs/dbraw/zinc/51/94/63/531519463.db2.gz ARRWBPRKYZWQBI-UHFFFAOYSA-N -1 3 375.204 1.867 20 5 GDBDHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000294892766 531506009 /nfs/dbraw/zinc/50/60/09/531506009.db2.gz BEVYVTXWBCIFKH-ZETCQYMHSA-N -1 3 378.204 1.265 20 5 GDBDHM CC(C)(C)[C@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000551576831 531541515 /nfs/dbraw/zinc/54/15/15/531541515.db2.gz SVENYTDSKZSOIC-GXFFZTMASA-N -1 3 380.850 1.685 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000491607845 531554379 /nfs/dbraw/zinc/55/43/79/531554379.db2.gz RSYUULFQRTYILP-BDAKNGLRSA-N -1 3 375.378 1.065 20 5 GDBDHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268892563 531584665 /nfs/dbraw/zinc/58/46/65/531584665.db2.gz UZYOXKYWTLLNDK-SSDOTTSWSA-N -1 3 380.220 1.160 20 5 GDBDHM CCOC(=O)COCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000295564684 531598279 /nfs/dbraw/zinc/59/82/79/531598279.db2.gz UFOUBPPRHXNPOF-UHFFFAOYSA-N -1 3 380.806 1.415 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC(F)F ZINC000416520192 531659895 /nfs/dbraw/zinc/65/98/95/531659895.db2.gz GIJVUQNKWBGHCN-UHFFFAOYSA-N -1 3 391.274 1.273 20 5 GDBDHM COCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269470225 531675252 /nfs/dbraw/zinc/67/52/52/531675252.db2.gz LBQUEBZVOFCOIV-UHFFFAOYSA-N -1 3 386.348 1.945 20 5 GDBDHM Cc1noc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000269498539 531681224 /nfs/dbraw/zinc/68/12/24/531681224.db2.gz WHWBXMOKSLWUQW-UHFFFAOYSA-N -1 3 391.203 1.570 20 5 GDBDHM CSCC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281953843 531684853 /nfs/dbraw/zinc/68/48/53/531684853.db2.gz QCSJIFZTUBEFPZ-UHFFFAOYSA-N -1 3 375.472 1.379 20 5 GDBDHM CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000416628066 531715706 /nfs/dbraw/zinc/71/57/06/531715706.db2.gz GCIHHCVHEPULEW-UHFFFAOYSA-N -1 3 396.874 1.741 20 5 GDBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000591328299 531716468 /nfs/dbraw/zinc/71/64/68/531716468.db2.gz JXOALWNSOTXXJX-VIFPVBQESA-N -1 3 381.332 1.513 20 5 GDBDHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000591328445 531716773 /nfs/dbraw/zinc/71/67/73/531716773.db2.gz XNYBEFYLGHDNJL-SECBINFHSA-N -1 3 381.332 1.513 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000269783612 531755522 /nfs/dbraw/zinc/75/55/22/531755522.db2.gz PFGZPOBKINBOHY-UHFFFAOYSA-N -1 3 377.850 1.292 20 5 GDBDHM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000271180451 531976422 /nfs/dbraw/zinc/97/64/22/531976422.db2.gz CJDOSXUUMKJXCK-VIFPVBQESA-N -1 3 383.220 1.033 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C ZINC000284724863 531984697 /nfs/dbraw/zinc/98/46/97/531984697.db2.gz RRGLDEDDVVWHJT-HZMBPMFUSA-N -1 3 376.431 1.040 20 5 GDBDHM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000273478001 532152186 /nfs/dbraw/zinc/15/21/86/532152186.db2.gz FWSIJMIKKNQXES-IIYDVTGLSA-N -1 3 385.261 1.403 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000275034231 532255685 /nfs/dbraw/zinc/25/56/85/532255685.db2.gz ASFOIVYGCIFFGA-AWEZNQCLSA-N -1 3 376.406 1.818 20 5 GDBDHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275134825 532268666 /nfs/dbraw/zinc/26/86/66/532268666.db2.gz CLYLCGGSVUBFMC-UHFFFAOYSA-N -1 3 377.394 1.183 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(O)C2)c(Br)c1 ZINC000432297823 532282630 /nfs/dbraw/zinc/28/26/30/532282630.db2.gz LBUHNLCBVHAPEW-UHFFFAOYSA-N -1 3 379.232 1.797 20 5 GDBDHM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1=O ZINC000289631244 532330077 /nfs/dbraw/zinc/33/00/77/532330077.db2.gz RXHJBSAVGAGSTN-NSHDSACASA-N -1 3 379.188 1.341 20 5 GDBDHM O=Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000738314102 598867547 /nfs/dbraw/zinc/86/75/47/598867547.db2.gz QQIOHCUMGTUIHN-UHFFFAOYSA-N -1 3 393.312 1.494 20 5 GDBDHM O=Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000738314102 598867549 /nfs/dbraw/zinc/86/75/49/598867549.db2.gz QQIOHCUMGTUIHN-UHFFFAOYSA-N -1 3 393.312 1.494 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736132847 598870173 /nfs/dbraw/zinc/87/01/73/598870173.db2.gz XVULTMHGTUZCHW-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736132847 598870174 /nfs/dbraw/zinc/87/01/74/598870174.db2.gz XVULTMHGTUZCHW-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM COC(=O)[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736899021 598893336 /nfs/dbraw/zinc/89/33/36/598893336.db2.gz MITWLXVTCOPPTQ-MRXNPFEDSA-N -1 3 397.347 1.775 20 5 GDBDHM COC(=O)[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736899021 598893338 /nfs/dbraw/zinc/89/33/38/598893338.db2.gz MITWLXVTCOPPTQ-MRXNPFEDSA-N -1 3 397.347 1.775 20 5 GDBDHM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000738367300 598900864 /nfs/dbraw/zinc/90/08/64/598900864.db2.gz PZBNAXWHBBYUOF-UHFFFAOYSA-N -1 3 386.393 1.916 20 5 GDBDHM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000738367300 598900865 /nfs/dbraw/zinc/90/08/65/598900865.db2.gz PZBNAXWHBBYUOF-UHFFFAOYSA-N -1 3 386.393 1.916 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000737301422 598957203 /nfs/dbraw/zinc/95/72/03/598957203.db2.gz MPWYZWLVEVEOIR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000737301422 598957204 /nfs/dbraw/zinc/95/72/04/598957204.db2.gz MPWYZWLVEVEOIR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM COC(=O)COc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736931981 599058681 /nfs/dbraw/zinc/05/86/81/599058681.db2.gz XHMUWCWHEOXNHD-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM COC(=O)COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736931981 599058683 /nfs/dbraw/zinc/05/86/83/599058683.db2.gz XHMUWCWHEOXNHD-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM Cc1cc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000822206846 599107903 /nfs/dbraw/zinc/10/79/03/599107903.db2.gz BDHPMGUYXUGURJ-ZDUSSCGKSA-N -1 3 397.399 1.424 20 5 GDBDHM Cc1cc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000822206846 599107908 /nfs/dbraw/zinc/10/79/08/599107908.db2.gz BDHPMGUYXUGURJ-ZDUSSCGKSA-N -1 3 397.399 1.424 20 5 GDBDHM C[C@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000533186705 596903046 /nfs/dbraw/zinc/90/30/46/596903046.db2.gz NNKCCCGNAVENNO-AWEZNQCLSA-N -1 3 392.456 1.920 20 5 GDBDHM Cc1c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822061794 607274764 /nfs/dbraw/zinc/27/47/64/607274764.db2.gz YAFSRPQDFCDFOE-UHFFFAOYSA-N -1 3 381.352 1.338 20 5 GDBDHM Cc1c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822061794 607274765 /nfs/dbraw/zinc/27/47/65/607274765.db2.gz YAFSRPQDFCDFOE-UHFFFAOYSA-N -1 3 381.352 1.338 20 5 GDBDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822699106 607305745 /nfs/dbraw/zinc/30/57/45/607305745.db2.gz OJHOCXORTCVAQI-IAQYHMDHSA-N -1 3 384.400 1.458 20 5 GDBDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822699106 607305746 /nfs/dbraw/zinc/30/57/46/607305746.db2.gz OJHOCXORTCVAQI-IAQYHMDHSA-N -1 3 384.400 1.458 20 5 GDBDHM O=[N+]([O-])c1cnc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000738369738 598499703 /nfs/dbraw/zinc/49/97/03/598499703.db2.gz NQBOXCYULJXIJY-BETUJISGSA-N -1 3 378.396 1.743 20 5 GDBDHM O=[N+]([O-])c1cnc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000738369738 598499704 /nfs/dbraw/zinc/49/97/04/598499704.db2.gz NQBOXCYULJXIJY-BETUJISGSA-N -1 3 378.396 1.743 20 5 GDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738247038 598569040 /nfs/dbraw/zinc/56/90/40/598569040.db2.gz MLAQAUURNOCOHA-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738247038 598569041 /nfs/dbraw/zinc/56/90/41/598569041.db2.gz MLAQAUURNOCOHA-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C(COc1ccccc1-c1nnn[n-]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737929997 598588303 /nfs/dbraw/zinc/58/83/03/598588303.db2.gz LOGCUZZHMJQVEF-UHFFFAOYSA-N -1 3 384.352 1.349 20 5 GDBDHM O=C(COc1ccccc1-c1nn[n-]n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737929997 598588304 /nfs/dbraw/zinc/58/83/04/598588304.db2.gz LOGCUZZHMJQVEF-UHFFFAOYSA-N -1 3 384.352 1.349 20 5 GDBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737847286 598591162 /nfs/dbraw/zinc/59/11/62/598591162.db2.gz OKAJSSYSUZBFPC-UHFFFAOYSA-N -1 3 399.342 1.673 20 5 GDBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737847286 598591163 /nfs/dbraw/zinc/59/11/63/598591163.db2.gz OKAJSSYSUZBFPC-UHFFFAOYSA-N -1 3 399.342 1.673 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737372761 598690924 /nfs/dbraw/zinc/69/09/24/598690924.db2.gz JZSYGTDNNYTRDR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000736797700 599362215 /nfs/dbraw/zinc/36/22/15/599362215.db2.gz JYDNNNWSUBLADB-UHFFFAOYSA-N -1 3 395.387 1.092 20 5 GDBDHM CN(CCN1CCCC1=O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821601378 599555248 /nfs/dbraw/zinc/55/52/48/599555248.db2.gz DOBRXWFLZOIHCG-UHFFFAOYSA-N -1 3 382.384 1.382 20 5 GDBDHM CN(CCN1CCCC1=O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821601378 599555249 /nfs/dbraw/zinc/55/52/49/599555249.db2.gz DOBRXWFLZOIHCG-UHFFFAOYSA-N -1 3 382.384 1.382 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823118625 599632403 /nfs/dbraw/zinc/63/24/03/599632403.db2.gz JDGISFGEPJRPHN-UHFFFAOYSA-N -1 3 382.262 1.629 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823118625 599632404 /nfs/dbraw/zinc/63/24/04/599632404.db2.gz JDGISFGEPJRPHN-UHFFFAOYSA-N -1 3 382.262 1.629 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@](O)(C(F)(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645129 599686018 /nfs/dbraw/zinc/68/60/18/599686018.db2.gz OOKGGTZXFVOOJE-AWEZNQCLSA-N -1 3 395.301 1.827 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@](O)(C(F)(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645129 599686019 /nfs/dbraw/zinc/68/60/19/599686019.db2.gz OOKGGTZXFVOOJE-AWEZNQCLSA-N -1 3 395.301 1.827 20 5 GDBDHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000274200945 600140788 /nfs/dbraw/zinc/14/07/88/600140788.db2.gz NDIBTOGRQWPVLT-CQSZACIVSA-N -1 3 376.413 1.040 20 5 GDBDHM O=C(COCC(F)(F)F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826416505 607523507 /nfs/dbraw/zinc/52/35/07/607523507.db2.gz CBMHPZPHINFSEA-UHFFFAOYSA-N -1 3 380.670 1.946 20 5 GDBDHM O=C(COCC(F)(F)F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826416505 607523508 /nfs/dbraw/zinc/52/35/08/607523508.db2.gz CBMHPZPHINFSEA-UHFFFAOYSA-N -1 3 380.670 1.946 20 5 GDBDHM COc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826196758 607586029 /nfs/dbraw/zinc/58/60/29/607586029.db2.gz NAAGNMKBLMPASG-UHFFFAOYSA-N -1 3 397.395 1.536 20 5 GDBDHM COc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826196758 607586030 /nfs/dbraw/zinc/58/60/30/607586030.db2.gz NAAGNMKBLMPASG-UHFFFAOYSA-N -1 3 397.395 1.536 20 5 GDBDHM CCCc1n[nH]c(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000825348695 607628652 /nfs/dbraw/zinc/62/86/52/607628652.db2.gz WSZUUJVXDARDRP-UHFFFAOYSA-N -1 3 386.372 1.389 20 5 GDBDHM CCCc1n[nH]c(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000825348695 607628653 /nfs/dbraw/zinc/62/86/53/607628653.db2.gz WSZUUJVXDARDRP-UHFFFAOYSA-N -1 3 386.372 1.389 20 5 GDBDHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000824200011 607734852 /nfs/dbraw/zinc/73/48/52/607734852.db2.gz NZKSHXGNRIJRJE-LLVKDONJSA-N -1 3 397.359 1.752 20 5 GDBDHM CC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000823972655 607735636 /nfs/dbraw/zinc/73/56/36/607735636.db2.gz DTNZDHDRLXNXQS-ZUZCIYMTSA-N -1 3 396.411 1.992 20 5 GDBDHM CC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000823972655 607735637 /nfs/dbraw/zinc/73/56/37/607735637.db2.gz DTNZDHDRLXNXQS-ZUZCIYMTSA-N -1 3 396.411 1.992 20 5 GDBDHM CCOC(=O)c1cc(NCCNc2ncccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821337834 606240466 /nfs/dbraw/zinc/24/04/66/606240466.db2.gz OFMQEZHMMODXPJ-UHFFFAOYSA-N -1 3 398.383 1.871 20 5 GDBDHM CCOC(=O)c1cc(NCCNc2ncccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821337834 606240467 /nfs/dbraw/zinc/24/04/67/606240467.db2.gz OFMQEZHMMODXPJ-UHFFFAOYSA-N -1 3 398.383 1.871 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822655650 606389293 /nfs/dbraw/zinc/38/92/93/606389293.db2.gz RGTMSYFZGVPXOO-AWEZNQCLSA-N -1 3 397.351 1.076 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822655650 606389296 /nfs/dbraw/zinc/38/92/96/606389296.db2.gz RGTMSYFZGVPXOO-AWEZNQCLSA-N -1 3 397.351 1.076 20 5 GDBDHM Cc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229481 606417268 /nfs/dbraw/zinc/41/72/68/606417268.db2.gz VRLKWPZVGBVHHO-BZNIZROVSA-N -1 3 381.396 1.961 20 5 GDBDHM Cc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229481 606417270 /nfs/dbraw/zinc/41/72/70/606417270.db2.gz VRLKWPZVGBVHHO-BZNIZROVSA-N -1 3 381.396 1.961 20 5 GDBDHM CN(C[C@H](O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821595099 606645400 /nfs/dbraw/zinc/64/54/00/606645400.db2.gz MUGPBIFOCJBSCD-HNNXBMFYSA-N -1 3 384.396 1.789 20 5 GDBDHM Cc1cc(N2CCC[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nc(C)n1 ZINC000822207303 606709025 /nfs/dbraw/zinc/70/90/25/606709025.db2.gz RBKJDPCCEHQXFQ-GFCCVEGCSA-N -1 3 396.415 1.658 20 5 GDBDHM Cc1cc(N2CCC[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nc(C)n1 ZINC000822207303 606709026 /nfs/dbraw/zinc/70/90/26/606709026.db2.gz RBKJDPCCEHQXFQ-GFCCVEGCSA-N -1 3 396.415 1.658 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@H]([C@@H]4CCCO4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644701 606802790 /nfs/dbraw/zinc/80/27/90/606802790.db2.gz KPTYFWBGBUZVCW-HOTGVXAUSA-N -1 3 397.395 1.707 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@H]([C@@H]4CCCO4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644701 606802792 /nfs/dbraw/zinc/80/27/92/606802792.db2.gz KPTYFWBGBUZVCW-HOTGVXAUSA-N -1 3 397.395 1.707 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@H]([C@H]4CCCO4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644700 606803095 /nfs/dbraw/zinc/80/30/95/606803095.db2.gz KPTYFWBGBUZVCW-CVEARBPZSA-N -1 3 397.395 1.707 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@H]([C@H]4CCCO4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644700 606803098 /nfs/dbraw/zinc/80/30/98/606803098.db2.gz KPTYFWBGBUZVCW-CVEARBPZSA-N -1 3 397.395 1.707 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821727658 607142440 /nfs/dbraw/zinc/14/24/40/607142440.db2.gz LYPYYVDLJKXVSH-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821727658 607142442 /nfs/dbraw/zinc/14/24/42/607142442.db2.gz LYPYYVDLJKXVSH-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM 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ZINC000826497543 607852315 /nfs/dbraw/zinc/85/23/15/607852315.db2.gz KRXOQSCPPSBGPC-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826272583 607866887 /nfs/dbraw/zinc/86/68/87/607866887.db2.gz QYTWQZWATCPNAJ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)COc1ccccc1F ZINC000826499811 607876729 /nfs/dbraw/zinc/87/67/29/607876729.db2.gz YNWZODXEMSDEOC-SNVBAGLBSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)COc1ccccc1F ZINC000826499811 607876730 /nfs/dbraw/zinc/87/67/30/607876730.db2.gz YNWZODXEMSDEOC-SNVBAGLBSA-N -1 3 375.316 1.733 20 5 GDBDHM Cn1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1=O ZINC000826363729 608161964 /nfs/dbraw/zinc/16/19/64/608161964.db2.gz ZTUGUDSMBSCEAR-UHFFFAOYSA-N -1 3 375.732 1.379 20 5 GDBDHM CC(=O)N1CC[C@@](C)(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973890 608162583 /nfs/dbraw/zinc/16/25/83/608162583.db2.gz LXVPODFNHHTABC-OAHLLOKOSA-N -1 3 393.791 1.625 20 5 GDBDHM CC(=O)N1CC[C@@](C)(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973890 608162584 /nfs/dbraw/zinc/16/25/84/608162584.db2.gz LXVPODFNHHTABC-OAHLLOKOSA-N -1 3 393.791 1.625 20 5 GDBDHM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000826359416 608301957 /nfs/dbraw/zinc/30/19/57/608301957.db2.gz GMIZYBMEETZDEY-LRDDRELGSA-N -1 3 384.400 1.601 20 5 GDBDHM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000826359416 608301959 /nfs/dbraw/zinc/30/19/59/608301959.db2.gz GMIZYBMEETZDEY-LRDDRELGSA-N -1 3 384.400 1.601 20 5 GDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781967543 609374642 /nfs/dbraw/zinc/37/46/42/609374642.db2.gz JSHOUYLTBQQVCF-MRXNPFEDSA-N -1 3 393.363 1.584 20 5 GDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781967543 609374644 /nfs/dbraw/zinc/37/46/44/609374644.db2.gz JSHOUYLTBQQVCF-MRXNPFEDSA-N -1 3 393.363 1.584 20 5 GDBDHM COCc1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826165223 609439892 /nfs/dbraw/zinc/43/98/92/609439892.db2.gz KXHPRMGDZXAWCO-UHFFFAOYSA-N -1 3 391.365 1.689 20 5 GDBDHM COCc1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826165223 609439895 /nfs/dbraw/zinc/43/98/95/609439895.db2.gz KXHPRMGDZXAWCO-UHFFFAOYSA-N -1 3 391.365 1.689 20 5 GDBDHM CC(C)c1nc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC000824358452 609494584 /nfs/dbraw/zinc/49/45/84/609494584.db2.gz KLBILWWHRXQHAJ-CYBMUJFWSA-N -1 3 386.372 1.859 20 5 GDBDHM CC(C)c1nc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC000824358452 609494586 /nfs/dbraw/zinc/49/45/86/609494586.db2.gz KLBILWWHRXQHAJ-CYBMUJFWSA-N -1 3 386.372 1.859 20 5 GDBDHM CC(C)c1nc([C@H]2COCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC000824359212 609494733 /nfs/dbraw/zinc/49/47/33/609494733.db2.gz UDIGNMJZVKDDOD-CYBMUJFWSA-N -1 3 386.372 1.859 20 5 GDBDHM CC(C)c1nc([C@H]2COCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC000824359212 609494735 /nfs/dbraw/zinc/49/47/35/609494735.db2.gz UDIGNMJZVKDDOD-CYBMUJFWSA-N -1 3 386.372 1.859 20 5 GDBDHM Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1=O ZINC000533464569 650053426 /nfs/dbraw/zinc/05/34/26/650053426.db2.gz BZVJKBROLDELMF-UHFFFAOYSA-N -1 3 388.199 1.857 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000367559370 645603314 /nfs/dbraw/zinc/60/33/14/645603314.db2.gz LHJRZTAGMZTWLQ-ONGXEEELSA-N -1 3 393.824 1.529 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000367559369 645603323 /nfs/dbraw/zinc/60/33/23/645603323.db2.gz LHJRZTAGMZTWLQ-MWLCHTKSSA-N -1 3 393.824 1.529 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593635644 652228968 /nfs/dbraw/zinc/22/89/68/652228968.db2.gz OEDVEXWDKMETHJ-LBPRGKRZSA-N -1 3 384.332 1.433 20 5 GDBDHM COC[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC 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598589658 /nfs/dbraw/zinc/58/96/58/598589658.db2.gz ISQLBJSXECLEDW-UHFFFAOYSA-N -1 3 386.299 1.938 20 5 GDBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000738165959 598589660 /nfs/dbraw/zinc/58/96/60/598589660.db2.gz ISQLBJSXECLEDW-UHFFFAOYSA-N -1 3 386.299 1.938 20 5 GDBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736296206 598601826 /nfs/dbraw/zinc/60/18/26/598601826.db2.gz GCLUMPHLDDXAAJ-GFCCVEGCSA-N -1 3 393.407 1.842 20 5 GDBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736296206 598601828 /nfs/dbraw/zinc/60/18/28/598601828.db2.gz GCLUMPHLDDXAAJ-GFCCVEGCSA-N -1 3 393.407 1.842 20 5 GDBDHM NC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000737731536 598799370 /nfs/dbraw/zinc/79/93/70/598799370.db2.gz SSMHWSPCYRDMGG-GFCCVEGCSA-N -1 3 385.359 1.670 20 5 GDBDHM NC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000737731536 598799371 /nfs/dbraw/zinc/79/93/71/598799371.db2.gz SSMHWSPCYRDMGG-GFCCVEGCSA-N -1 3 385.359 1.670 20 5 GDBDHM CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739542 599305203 /nfs/dbraw/zinc/30/52/03/599305203.db2.gz PTBFNQWEPJSTML-UHFFFAOYSA-N -1 3 395.335 1.346 20 5 GDBDHM CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739542 599305205 /nfs/dbraw/zinc/30/52/05/599305205.db2.gz PTBFNQWEPJSTML-UHFFFAOYSA-N -1 3 395.335 1.346 20 5 GDBDHM O=[N+]([O-])c1cnc(NCc2ccc(CN3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651983 599317498 /nfs/dbraw/zinc/31/74/98/599317498.db2.gz USPKIAGOOFCCRT-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=[N+]([O-])c1cnc(NCc2ccc(CN3CCOCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651983 599317501 /nfs/dbraw/zinc/31/75/01/599317501.db2.gz USPKIAGOOFCCRT-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM CN(Cc1cnn(-c2ccccc2)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616691 599320458 /nfs/dbraw/zinc/32/04/58/599320458.db2.gz CBWKUDKXOVAQPU-UHFFFAOYSA-N -1 3 377.368 1.992 20 5 GDBDHM 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POADVUFTKPEZCG-UHFFFAOYSA-N -1 3 394.395 1.569 20 5 GDBDHM COC(=O)c1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000821666888 606975689 /nfs/dbraw/zinc/97/56/89/606975689.db2.gz LAAKAOUOSBIUFG-UHFFFAOYSA-N -1 3 382.336 1.838 20 5 GDBDHM COC(=O)c1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000821666888 606975691 /nfs/dbraw/zinc/97/56/91/606975691.db2.gz LAAKAOUOSBIUFG-UHFFFAOYSA-N -1 3 382.336 1.838 20 5 GDBDHM Cc1nn(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822500768 606984674 /nfs/dbraw/zinc/98/46/74/606984674.db2.gz FXOPBXWXUZIEGO-UHFFFAOYSA-N -1 3 392.379 1.749 20 5 GDBDHM Cc1nn(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822500768 606984676 /nfs/dbraw/zinc/98/46/76/606984676.db2.gz FXOPBXWXUZIEGO-UHFFFAOYSA-N -1 3 392.379 1.749 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(N2CCOCC2)CCCCC1 ZINC000823619879 607163015 /nfs/dbraw/zinc/16/30/15/607163015.db2.gz CMGUGIWFTGVKCD-UHFFFAOYSA-N -1 3 388.432 1.617 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(N2CCOCC2)CCCCC1 ZINC000823619879 607163017 /nfs/dbraw/zinc/16/30/17/607163017.db2.gz CMGUGIWFTGVKCD-UHFFFAOYSA-N -1 3 388.432 1.617 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000823644260 607175813 /nfs/dbraw/zinc/17/58/13/607175813.db2.gz IDBGECRPGDSDOT-UHFFFAOYSA-N -1 3 396.327 1.540 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000823644260 607175814 /nfs/dbraw/zinc/17/58/14/607175814.db2.gz IDBGECRPGDSDOT-UHFFFAOYSA-N -1 3 396.327 1.540 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735632741 607235270 /nfs/dbraw/zinc/23/52/70/607235270.db2.gz HIPLORIDUGPSEC-JTQLQIEISA-N -1 3 375.389 1.878 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735632741 607235271 /nfs/dbraw/zinc/23/52/71/607235271.db2.gz HIPLORIDUGPSEC-JTQLQIEISA-N -1 3 375.389 1.878 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823635483 607251726 /nfs/dbraw/zinc/25/17/26/607251726.db2.gz XRUWUWXQJWNKFD-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823635483 607251727 /nfs/dbraw/zinc/25/17/27/607251727.db2.gz XRUWUWXQJWNKFD-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826501822 607863190 /nfs/dbraw/zinc/86/31/90/607863190.db2.gz IQIDKAKQGHDDFL-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826501822 607863191 /nfs/dbraw/zinc/86/31/91/607863191.db2.gz IQIDKAKQGHDDFL-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826272726 607866956 /nfs/dbraw/zinc/86/69/56/607866956.db2.gz YHLAGFQCXCQJIN-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826272726 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20 5 GDBDHM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416619330 531708986 /nfs/dbraw/zinc/70/89/86/531708986.db2.gz GYBNFHMBXACVMO-MRVPVSSYSA-N -1 3 383.348 1.805 20 5 GDBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269822772 531773914 /nfs/dbraw/zinc/77/39/14/531773914.db2.gz WFQWBXVRMIKAGE-LBPRGKRZSA-N -1 3 386.348 1.679 20 5 GDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCc2sccc2C1 ZINC000593532833 531838600 /nfs/dbraw/zinc/83/86/00/531838600.db2.gz ZTQSTHZYZLUBRV-NSHDSACASA-N -1 3 382.467 1.776 20 5 GDBDHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000270232142 531844200 /nfs/dbraw/zinc/84/42/00/531844200.db2.gz QWBDTPVXWXGUBD-SECBINFHSA-N -1 3 384.863 1.658 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)nc1 ZINC000593552907 531844326 /nfs/dbraw/zinc/84/43/26/531844326.db2.gz JWORVTOIBLJNQR-UHFFFAOYSA-N -1 3 382.345 1.986 20 5 GDBDHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594764223 531855880 /nfs/dbraw/zinc/85/58/80/531855880.db2.gz HLOSJUCJNULGTO-SNVBAGLBSA-N -1 3 387.439 1.245 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284605253 531972827 /nfs/dbraw/zinc/97/28/27/531972827.db2.gz IXFWRSNFZZYUDQ-YGRLFVJLSA-N -1 3 394.877 1.993 20 5 GDBDHM CC(C)[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(N)=O ZINC000285244295 532054533 /nfs/dbraw/zinc/05/45/33/532054533.db2.gz GTUUCIQFLBDMSE-GFCCVEGCSA-N -1 3 394.247 1.536 20 5 GDBDHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000272415534 532096032 /nfs/dbraw/zinc/09/60/32/532096032.db2.gz CXOPSBUYQDDLCW-SNVBAGLBSA-N -1 3 390.849 1.639 20 5 GDBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000274287145 532200632 /nfs/dbraw/zinc/20/06/32/532200632.db2.gz DHEXAJKBTKNNBN-GFCCVEGCSA-N -1 3 379.316 1.735 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275455215 532295962 /nfs/dbraw/zinc/29/59/62/532295962.db2.gz UKOXFENYFSLSGA-JTQLQIEISA-N -1 3 376.284 1.334 20 5 GDBDHM COCCn1cc2c(n1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000378543321 532291152 /nfs/dbraw/zinc/29/11/52/532291152.db2.gz IZLYKMBQDJGYBH-LLVKDONJSA-N -1 3 386.455 1.855 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000276262468 532325166 /nfs/dbraw/zinc/32/51/66/532325166.db2.gz UIQGZZYEXLRBHT-UHFFFAOYSA-N -1 3 385.423 1.933 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1csc(C)n1 ZINC000276285848 532325791 /nfs/dbraw/zinc/32/57/91/532325791.db2.gz YMGZQHVHFRTPKY-UHFFFAOYSA-N -1 3 385.423 1.667 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCN2CCCOCC2)c(Cl)cc1Cl ZINC000289680393 532330755 /nfs/dbraw/zinc/33/07/55/532330755.db2.gz COXQEUWMWZSCNZ-UHFFFAOYSA-N -1 3 398.268 1.902 20 5 GDBDHM COC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736899020 598893200 /nfs/dbraw/zinc/89/32/00/598893200.db2.gz MITWLXVTCOPPTQ-INIZCTEOSA-N -1 3 397.347 1.775 20 5 GDBDHM COC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736899020 598893201 /nfs/dbraw/zinc/89/32/01/598893201.db2.gz MITWLXVTCOPPTQ-INIZCTEOSA-N -1 3 397.347 1.775 20 5 GDBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000735671136 598933133 /nfs/dbraw/zinc/93/31/33/598933133.db2.gz OCXBJTOSXIFUBK-UHFFFAOYSA-N -1 3 379.446 1.030 20 5 GDBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000735671136 598933135 /nfs/dbraw/zinc/93/31/35/598933135.db2.gz OCXBJTOSXIFUBK-UHFFFAOYSA-N -1 3 379.446 1.030 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCc2ccc(F)cc21 ZINC000738358893 599042728 /nfs/dbraw/zinc/04/27/28/599042728.db2.gz DRQDOXBTRBXACP-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCc2ccc(F)cc21 ZINC000738358893 599042729 /nfs/dbraw/zinc/04/27/29/599042729.db2.gz 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O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823041301 599181503 /nfs/dbraw/zinc/18/15/03/599181503.db2.gz XUBHWPAUHFZPMQ-UHFFFAOYSA-N -1 3 390.306 1.748 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823041301 599181504 /nfs/dbraw/zinc/18/15/04/599181504.db2.gz XUBHWPAUHFZPMQ-UHFFFAOYSA-N -1 3 390.306 1.748 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737968093 599185631 /nfs/dbraw/zinc/18/56/31/599185631.db2.gz FEUONWPTCITPPW-UHFFFAOYSA-N -1 3 394.395 1.061 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737968093 599185633 /nfs/dbraw/zinc/18/56/33/599185633.db2.gz FEUONWPTCITPPW-UHFFFAOYSA-N -1 3 394.395 1.061 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737969657 599188496 /nfs/dbraw/zinc/18/84/96/599188496.db2.gz QPSRDFZSKBBLRC-UHFFFAOYSA-N -1 3 393.407 1.666 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737969657 599188499 /nfs/dbraw/zinc/18/84/99/599188499.db2.gz QPSRDFZSKBBLRC-UHFFFAOYSA-N -1 3 393.407 1.666 20 5 GDBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c(-c2nnn[n-]2)c1 ZINC000823651988 599195881 /nfs/dbraw/zinc/19/58/81/599195881.db2.gz UWAUAQCAFIYGPH-OAHLLOKOSA-N -1 3 396.411 1.483 20 5 GDBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c(-c2nn[n-]n2)c1 ZINC000823651988 599195882 /nfs/dbraw/zinc/19/58/82/599195882.db2.gz UWAUAQCAFIYGPH-OAHLLOKOSA-N -1 3 396.411 1.483 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000737369424 599239169 /nfs/dbraw/zinc/23/91/69/599239169.db2.gz UBJITZQSQXTAJO-UHFFFAOYSA-N -1 3 394.395 1.441 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000737369424 599239171 /nfs/dbraw/zinc/23/91/71/599239171.db2.gz UBJITZQSQXTAJO-UHFFFAOYSA-N -1 3 394.395 1.441 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738249796 598237537 /nfs/dbraw/zinc/23/75/37/598237537.db2.gz WMOIPOVFRABADE-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738249796 598237538 /nfs/dbraw/zinc/23/75/38/598237538.db2.gz WMOIPOVFRABADE-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000737026519 598325800 /nfs/dbraw/zinc/32/58/00/598325800.db2.gz XQIAVLZKENHWGM-UHFFFAOYSA-N -1 3 387.356 1.593 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000737026519 598325803 /nfs/dbraw/zinc/32/58/03/598325803.db2.gz XQIAVLZKENHWGM-UHFFFAOYSA-N -1 3 387.356 1.593 20 5 GDBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC000737892553 598410530 /nfs/dbraw/zinc/41/05/30/598410530.db2.gz WMZBZBNIVBTGLE-UHFFFAOYSA-N -1 3 388.365 1.310 20 5 GDBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC000737892553 598410532 /nfs/dbraw/zinc/41/05/32/598410532.db2.gz WMZBZBNIVBTGLE-UHFFFAOYSA-N -1 3 388.365 1.310 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738373460 598500180 /nfs/dbraw/zinc/50/01/80/598500180.db2.gz DBRJEVPQTXNRGS-UHFFFAOYSA-N -1 3 375.370 1.056 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738373460 598500181 /nfs/dbraw/zinc/50/01/81/598500181.db2.gz DBRJEVPQTXNRGS-UHFFFAOYSA-N -1 3 375.370 1.056 20 5 GDBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000738076818 598501492 /nfs/dbraw/zinc/50/14/92/598501492.db2.gz VVXAFUIVJKFZBN-UHFFFAOYSA-N -1 3 384.356 1.108 20 5 GDBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000738076818 598501493 /nfs/dbraw/zinc/50/14/93/598501493.db2.gz VVXAFUIVJKFZBN-UHFFFAOYSA-N -1 3 384.356 1.108 20 5 GDBDHM NC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737732097 598502350 /nfs/dbraw/zinc/50/23/50/598502350.db2.gz VUIJHBYTNODZIU-SNVBAGLBSA-N -1 3 386.347 1.065 20 5 GDBDHM NC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737732097 598502352 /nfs/dbraw/zinc/50/23/52/598502352.db2.gz VUIJHBYTNODZIU-SNVBAGLBSA-N -1 3 386.347 1.065 20 5 GDBDHM Cc1nc(C)n(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737473904 598502492 /nfs/dbraw/zinc/50/24/92/598502492.db2.gz JJPGDPDHVLXVBG-LBPRGKRZSA-N -1 3 384.404 1.295 20 5 GDBDHM Cc1nc(C)n(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737473904 598502494 /nfs/dbraw/zinc/50/24/94/598502494.db2.gz JJPGDPDHVLXVBG-LBPRGKRZSA-N -1 3 384.404 1.295 20 5 GDBDHM Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)oc1C ZINC000737479113 598502698 /nfs/dbraw/zinc/50/26/98/598502698.db2.gz ZQFJQWMBHQUAFK-UHFFFAOYSA-N -1 3 385.388 1.097 20 5 GDBDHM Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)oc1C ZINC000737479113 598502699 /nfs/dbraw/zinc/50/26/99/598502699.db2.gz ZQFJQWMBHQUAFK-UHFFFAOYSA-N -1 3 385.388 1.097 20 5 GDBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737878297 598530407 /nfs/dbraw/zinc/53/04/07/598530407.db2.gz NLQYVSJSODHLMX-UHFFFAOYSA-N -1 3 396.319 1.106 20 5 GDBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737878297 598530409 /nfs/dbraw/zinc/53/04/09/598530409.db2.gz NLQYVSJSODHLMX-UHFFFAOYSA-N -1 3 396.319 1.106 20 5 GDBDHM COC(=O)c1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736948627 598537147 /nfs/dbraw/zinc/53/71/47/598537147.db2.gz KNHYPUOXJWCBGJ-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM COC(=O)c1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736948627 598537148 /nfs/dbraw/zinc/53/71/48/598537148.db2.gz KNHYPUOXJWCBGJ-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM CCS(=O)(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736658804 598556784 /nfs/dbraw/zinc/55/67/84/598556784.db2.gz JDJQHOYOIXTFPI-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM CCS(=O)(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736658804 598556785 /nfs/dbraw/zinc/55/67/85/598556785.db2.gz JDJQHOYOIXTFPI-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737051985 598603194 /nfs/dbraw/zinc/60/31/94/598603194.db2.gz OKWZFIRASQAVOK-UHFFFAOYSA-N -1 3 387.331 1.973 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737051985 598603196 /nfs/dbraw/zinc/60/31/96/598603196.db2.gz OKWZFIRASQAVOK-UHFFFAOYSA-N -1 3 387.331 1.973 20 5 GDBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738224854 598739449 /nfs/dbraw/zinc/73/94/49/598739449.db2.gz WOWPVANOPZUBJI-UHFFFAOYSA-N -1 3 399.323 1.168 20 5 GDBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738224854 598739450 /nfs/dbraw/zinc/73/94/50/598739450.db2.gz WOWPVANOPZUBJI-UHFFFAOYSA-N -1 3 399.323 1.168 20 5 GDBDHM CN(CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000825897889 607376392 /nfs/dbraw/zinc/37/63/92/607376392.db2.gz PVUJVWPOUUXWTF-UHFFFAOYSA-N -1 3 396.363 1.637 20 5 GDBDHM CN(CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000825897889 607376393 /nfs/dbraw/zinc/37/63/93/607376393.db2.gz PVUJVWPOUUXWTF-UHFFFAOYSA-N -1 3 396.363 1.637 20 5 GDBDHM CC(=O)NCC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819810845 599492001 /nfs/dbraw/zinc/49/20/01/599492001.db2.gz RODZDDJNYWRJPK-UHFFFAOYSA-N -1 3 396.411 1.676 20 5 GDBDHM CC(=O)NCC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819810845 599492003 /nfs/dbraw/zinc/49/20/03/599492003.db2.gz RODZDDJNYWRJPK-UHFFFAOYSA-N -1 3 396.411 1.676 20 5 GDBDHM CC(=O)NC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803668 599500055 /nfs/dbraw/zinc/50/00/55/599500055.db2.gz PAAQSWQXRQRPRX-GFCCVEGCSA-N -1 3 396.411 1.676 20 5 GDBDHM CC(=O)NC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803668 599500059 /nfs/dbraw/zinc/50/00/59/599500059.db2.gz PAAQSWQXRQRPRX-GFCCVEGCSA-N -1 3 396.411 1.676 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](OCCO)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645558 599560702 /nfs/dbraw/zinc/56/07/02/599560702.db2.gz TXMRGYBFCMBGKX-LBPRGKRZSA-N -1 3 385.384 1.301 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](OCCO)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645558 599560704 /nfs/dbraw/zinc/56/07/04/599560704.db2.gz TXMRGYBFCMBGKX-LBPRGKRZSA-N -1 3 385.384 1.301 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@](O)(C(F)(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645130 599685973 /nfs/dbraw/zinc/68/59/73/599685973.db2.gz OOKGGTZXFVOOJE-CQSZACIVSA-N -1 3 395.301 1.827 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@](O)(C(F)(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645130 599685974 /nfs/dbraw/zinc/68/59/74/599685974.db2.gz OOKGGTZXFVOOJE-CQSZACIVSA-N -1 3 395.301 1.827 20 5 GDBDHM O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409742 607463521 /nfs/dbraw/zinc/46/35/21/607463521.db2.gz NISUWYIUDHZPLA-UHFFFAOYSA-N -1 3 378.304 1.254 20 5 GDBDHM O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409742 607463522 /nfs/dbraw/zinc/46/35/22/607463522.db2.gz NISUWYIUDHZPLA-UHFFFAOYSA-N -1 3 378.304 1.254 20 5 GDBDHM COC1CCN(CCNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831536738 601213834 /nfs/dbraw/zinc/21/38/34/601213834.db2.gz JYEZDQPUADPFQU-GFCCVEGCSA-N -1 3 394.428 1.320 20 5 GDBDHM O=C(CCOC[C@@H]1CCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826407809 607525588 /nfs/dbraw/zinc/52/55/88/607525588.db2.gz BUBCSAIFTVPPDP-JTQLQIEISA-N -1 3 396.791 1.953 20 5 GDBDHM O=C(CCOC[C@@H]1CCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826407809 607525590 /nfs/dbraw/zinc/52/55/90/607525590.db2.gz BUBCSAIFTVPPDP-JTQLQIEISA-N -1 3 396.791 1.953 20 5 GDBDHM COc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826201903 607628112 /nfs/dbraw/zinc/62/81/12/607628112.db2.gz IBGBGEKSWZDJNZ-UHFFFAOYSA-N -1 3 386.372 1.560 20 5 GDBDHM COc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826201903 607628113 /nfs/dbraw/zinc/62/81/13/607628113.db2.gz IBGBGEKSWZDJNZ-UHFFFAOYSA-N -1 3 386.372 1.560 20 5 GDBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823409049 606225524 /nfs/dbraw/zinc/22/55/24/606225524.db2.gz BJGOSUPIMYUNPT-CQSZACIVSA-N -1 3 398.383 1.184 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000822632501 606230421 /nfs/dbraw/zinc/23/04/21/606230421.db2.gz XBTOVUBAWJYDHZ-UHFFFAOYSA-N -1 3 382.384 1.076 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000822632501 606230423 /nfs/dbraw/zinc/23/04/23/606230423.db2.gz XBTOVUBAWJYDHZ-UHFFFAOYSA-N -1 3 382.384 1.076 20 5 GDBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000820455352 606644504 /nfs/dbraw/zinc/64/45/04/606644504.db2.gz HMXDFKHNKQDGNC-VIFPVBQESA-N -1 3 389.397 1.595 20 5 GDBDHM CS(=O)(=O)Cc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821926244 606645770 /nfs/dbraw/zinc/64/57/70/606645770.db2.gz CMBASUSQPYTVDP-UHFFFAOYSA-N -1 3 388.409 1.932 20 5 GDBDHM CC(=O)N1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000819797315 606876356 /nfs/dbraw/zinc/87/63/56/606876356.db2.gz ZIXMTANHLACYES-JTQLQIEISA-N -1 3 382.384 1.380 20 5 GDBDHM CC(=O)N1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000819797315 606876357 /nfs/dbraw/zinc/87/63/57/606876357.db2.gz ZIXMTANHLACYES-JTQLQIEISA-N -1 3 382.384 1.380 20 5 GDBDHM CCn1c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000821565319 607036511 /nfs/dbraw/zinc/03/65/11/607036511.db2.gz NNNHDWCJUBQXMJ-UHFFFAOYSA-N -1 3 396.396 1.995 20 5 GDBDHM CCn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000821565319 607036512 /nfs/dbraw/zinc/03/65/12/607036512.db2.gz NNNHDWCJUBQXMJ-UHFFFAOYSA-N -1 3 396.396 1.995 20 5 GDBDHM O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823665460 607040670 /nfs/dbraw/zinc/04/06/70/607040670.db2.gz KXGHTABKFMUVIQ-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000823665460 607040671 /nfs/dbraw/zinc/04/06/71/607040671.db2.gz KXGHTABKFMUVIQ-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826500337 607817545 /nfs/dbraw/zinc/81/75/45/607817545.db2.gz UNPNTCLUNZXSOD-UHFFFAOYSA-N -1 3 386.393 1.916 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826500337 607817546 /nfs/dbraw/zinc/81/75/46/607817546.db2.gz UNPNTCLUNZXSOD-UHFFFAOYSA-N -1 3 386.393 1.916 20 5 GDBDHM COc1ccc(OC)c([C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826211058 607873363 /nfs/dbraw/zinc/87/33/63/607873363.db2.gz NNGVAXFVTQNGNY-CQSZACIVSA-N -1 3 387.352 1.905 20 5 GDBDHM COc1ccc(OC)c([C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826211058 607873364 /nfs/dbraw/zinc/87/33/64/607873364.db2.gz NNGVAXFVTQNGNY-CQSZACIVSA-N -1 3 387.352 1.905 20 5 GDBDHM O=[N+]([O-])c1cc(F)ccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826498190 607873402 /nfs/dbraw/zinc/87/34/02/607873402.db2.gz KQDZKVKEZAJGGC-LBPRGKRZSA-N -1 3 375.316 1.733 20 5 GDBDHM COCC1(O)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826153175 607968053 /nfs/dbraw/zinc/96/80/53/607968053.db2.gz DQLORIRHLLPCDG-UHFFFAOYSA-N -1 3 385.384 1.301 20 5 GDBDHM COCC1(O)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826153175 607968054 /nfs/dbraw/zinc/96/80/54/607968054.db2.gz DQLORIRHLLPCDG-UHFFFAOYSA-N -1 3 385.384 1.301 20 5 GDBDHM Cn1cnn(-c2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)c1=O ZINC000826365186 608194516 /nfs/dbraw/zinc/19/45/16/608194516.db2.gz FCVDDJSMEWNCND-UHFFFAOYSA-N -1 3 379.340 1.403 20 5 GDBDHM Cn1cnn(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)c1=O ZINC000826365186 608194518 /nfs/dbraw/zinc/19/45/18/608194518.db2.gz FCVDDJSMEWNCND-UHFFFAOYSA-N -1 3 379.340 1.403 20 5 GDBDHM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826060444 608234096 /nfs/dbraw/zinc/23/40/96/608234096.db2.gz MSSUVUNHNYGXBX-GXFFZTMASA-N -1 3 382.384 1.650 20 5 GDBDHM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826060444 608234097 /nfs/dbraw/zinc/23/40/97/608234097.db2.gz MSSUVUNHNYGXBX-GXFFZTMASA-N -1 3 382.384 1.650 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000826363053 608255846 /nfs/dbraw/zinc/25/58/46/608255846.db2.gz VBBNOJNRVYBTPW-UHFFFAOYSA-N -1 3 395.282 1.467 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000826363053 608255848 /nfs/dbraw/zinc/25/58/48/608255848.db2.gz VBBNOJNRVYBTPW-UHFFFAOYSA-N -1 3 395.282 1.467 20 5 GDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826366550 608327216 /nfs/dbraw/zinc/32/72/16/608327216.db2.gz NPOMPMJICSEOQM-UHFFFAOYSA-N -1 3 388.413 1.172 20 5 GDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826366550 608327217 /nfs/dbraw/zinc/32/72/17/608327217.db2.gz NPOMPMJICSEOQM-UHFFFAOYSA-N -1 3 388.413 1.172 20 5 GDBDHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824641049 608426339 /nfs/dbraw/zinc/42/63/39/608426339.db2.gz RSFZOGQTIDJORK-SECBINFHSA-N -1 3 392.372 1.954 20 5 GDBDHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824641049 608426341 /nfs/dbraw/zinc/42/63/41/608426341.db2.gz RSFZOGQTIDJORK-SECBINFHSA-N -1 3 392.372 1.954 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824471018 608471276 /nfs/dbraw/zinc/47/12/76/608471276.db2.gz NABQSCMDLORUAH-SNVBAGLBSA-N -1 3 381.352 1.591 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824471018 608471277 /nfs/dbraw/zinc/47/12/77/608471277.db2.gz NABQSCMDLORUAH-SNVBAGLBSA-N -1 3 381.352 1.591 20 5 GDBDHM COC(=O)CN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826138274 609172747 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O=C([O-])[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000738523955 600428961 /nfs/dbraw/zinc/42/89/61/600428961.db2.gz FYCIKAGONGXJRH-OAHLLOKOSA-N -1 3 379.394 1.289 20 5 GDBDHM CC(=O)N1CCCN([C@@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]2C)CC1 ZINC000833394411 605191724 /nfs/dbraw/zinc/19/17/24/605191724.db2.gz YEZVGWDPRBFION-FZKQIMNGSA-N -1 3 390.440 1.672 20 5 GDBDHM Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)nc(C)n1 ZINC000822207073 606102353 /nfs/dbraw/zinc/10/23/53/606102353.db2.gz KBICDWXRSIQMSO-UHFFFAOYSA-N -1 3 396.415 1.658 20 5 GDBDHM Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000822207073 606102355 /nfs/dbraw/zinc/10/23/55/606102355.db2.gz KBICDWXRSIQMSO-UHFFFAOYSA-N -1 3 396.415 1.658 20 5 GDBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821695004 606136340 /nfs/dbraw/zinc/13/63/40/606136340.db2.gz DMJLDNIIJHLYIL-UHFFFAOYSA-N -1 3 396.411 1.643 20 5 GDBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821695004 606136342 /nfs/dbraw/zinc/13/63/42/606136342.db2.gz DMJLDNIIJHLYIL-UHFFFAOYSA-N -1 3 396.411 1.643 20 5 GDBDHM O=C(COC(=O)Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000823022556 606144292 /nfs/dbraw/zinc/14/42/92/606144292.db2.gz IPEMYFMWRPZRAN-UHFFFAOYSA-N -1 3 382.336 1.499 20 5 GDBDHM O=C(COC(=O)Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000823022556 606144294 /nfs/dbraw/zinc/14/42/94/606144294.db2.gz IPEMYFMWRPZRAN-UHFFFAOYSA-N -1 3 382.336 1.499 20 5 GDBDHM CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000821931157 606175681 /nfs/dbraw/zinc/17/56/81/606175681.db2.gz ACSUNVJINVSRCU-UHFFFAOYSA-N -1 3 392.372 1.880 20 5 GDBDHM CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821931157 606175683 /nfs/dbraw/zinc/17/56/83/606175683.db2.gz ACSUNVJINVSRCU-UHFFFAOYSA-N -1 3 392.372 1.880 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000822645717 606290908 /nfs/dbraw/zinc/29/09/08/606290908.db2.gz LTPXFIQEFFLOAM-UHFFFAOYSA-N -1 3 379.340 1.756 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000822645717 606290910 /nfs/dbraw/zinc/29/09/10/606290910.db2.gz LTPXFIQEFFLOAM-UHFFFAOYSA-N -1 3 379.340 1.756 20 5 GDBDHM COC(=O)[C@]1(F)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821654222 606421608 /nfs/dbraw/zinc/42/16/08/606421608.db2.gz XLYGBXFYQUCVRG-INIZCTEOSA-N -1 3 387.331 1.415 20 5 GDBDHM COC(=O)[C@]1(F)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821654222 606421610 /nfs/dbraw/zinc/42/16/10/606421610.db2.gz XLYGBXFYQUCVRG-INIZCTEOSA-N -1 3 387.331 1.415 20 5 GDBDHM COC(=O)[C@@]1(F)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821654223 606421991 /nfs/dbraw/zinc/42/19/91/606421991.db2.gz XLYGBXFYQUCVRG-MRXNPFEDSA-N -1 3 387.331 1.415 20 5 GDBDHM COC(=O)[C@@]1(F)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821654223 606421992 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3 397.399 1.539 20 5 GDBDHM CCNC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821286674 606724674 /nfs/dbraw/zinc/72/46/74/606724674.db2.gz VFXBHRJMOAKUCY-SNVBAGLBSA-N -1 3 397.399 1.539 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823656365 606869020 /nfs/dbraw/zinc/86/90/20/606869020.db2.gz CHQGSMQLYOUIBD-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823656365 606869021 /nfs/dbraw/zinc/86/90/21/606869021.db2.gz CHQGSMQLYOUIBD-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000823647687 606884225 /nfs/dbraw/zinc/88/42/25/606884225.db2.gz OEBDDFBJCNIPTP-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000823647687 606884227 /nfs/dbraw/zinc/88/42/27/606884227.db2.gz OEBDDFBJCNIPTP-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCCc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000823651935 606947711 /nfs/dbraw/zinc/94/77/11/606947711.db2.gz RZXPMIFBHSVBKP-UHFFFAOYSA-N -1 3 383.368 1.986 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCCc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000823651935 606947713 /nfs/dbraw/zinc/94/77/13/606947713.db2.gz RZXPMIFBHSVBKP-UHFFFAOYSA-N -1 3 383.368 1.986 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648626 607002972 /nfs/dbraw/zinc/00/29/72/607002972.db2.gz OLGOPKCEGXEJHF-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648626 607002974 /nfs/dbraw/zinc/00/29/74/607002974.db2.gz OLGOPKCEGXEJHF-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC000821728574 607048086 /nfs/dbraw/zinc/04/80/86/607048086.db2.gz WXVNJCHHJWNVMP-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC000821728574 607048087 /nfs/dbraw/zinc/04/80/87/607048087.db2.gz WXVNJCHHJWNVMP-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM Cc1cnc(CN(C)[C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)o1 ZINC000822389368 607174840 /nfs/dbraw/zinc/17/48/40/607174840.db2.gz UACXLWZCAOQXFC-LLVKDONJSA-N -1 3 385.388 1.177 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823634201 607251569 /nfs/dbraw/zinc/25/15/69/607251569.db2.gz CPPCIJAYBPSUEU-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823634201 607251570 /nfs/dbraw/zinc/25/15/70/607251570.db2.gz CPPCIJAYBPSUEU-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000823647547 607251585 /nfs/dbraw/zinc/25/15/85/607251585.db2.gz LYQKXCMELLZJOW-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000823647547 607251586 /nfs/dbraw/zinc/25/15/86/607251586.db2.gz LYQKXCMELLZJOW-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826499481 607875909 /nfs/dbraw/zinc/87/59/09/607875909.db2.gz KDXKWFJVADUKAZ-GFCCVEGCSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826499481 607875910 /nfs/dbraw/zinc/87/59/10/607875910.db2.gz KDXKWFJVADUKAZ-GFCCVEGCSA-N -1 3 375.316 1.733 20 5 GDBDHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826388696 607943146 /nfs/dbraw/zinc/94/31/46/607943146.db2.gz HFXVXCYUYWRXHV-MRXNPFEDSA-N -1 3 379.380 1.360 20 5 GDBDHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826388696 607943147 /nfs/dbraw/zinc/94/31/47/607943147.db2.gz HFXVXCYUYWRXHV-MRXNPFEDSA-N -1 3 379.380 1.360 20 5 GDBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826438078 607979985 /nfs/dbraw/zinc/97/99/85/607979985.db2.gz MCQSKYVPAIAKSD-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826438078 607979986 /nfs/dbraw/zinc/97/99/86/607979986.db2.gz MCQSKYVPAIAKSD-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826439855 607983968 /nfs/dbraw/zinc/98/39/68/607983968.db2.gz NNNRNUXFAOSWGG-UHFFFAOYSA-N -1 3 381.352 1.072 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826439855 607983969 /nfs/dbraw/zinc/98/39/69/607983969.db2.gz NNNRNUXFAOSWGG-UHFFFAOYSA-N -1 3 381.352 1.072 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1F ZINC000826272452 608001722 /nfs/dbraw/zinc/00/17/22/608001722.db2.gz KINOQAKZRHOLKJ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1F ZINC000826272452 608001723 /nfs/dbraw/zinc/00/17/23/608001723.db2.gz KINOQAKZRHOLKJ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cn1c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826355159 608085545 /nfs/dbraw/zinc/08/55/45/608085545.db2.gz MTIVNTMVQJCJRJ-CQSZACIVSA-N -1 3 383.368 1.327 20 5 GDBDHM Cn1c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826355159 608085546 /nfs/dbraw/zinc/08/55/46/608085546.db2.gz MTIVNTMVQJCJRJ-CQSZACIVSA-N -1 3 383.368 1.327 20 5 GDBDHM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404006 608161515 /nfs/dbraw/zinc/16/15/15/608161515.db2.gz LBBQWTXKESOXNV-ZETCQYMHSA-N -1 3 398.788 1.315 20 5 GDBDHM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826404006 608161517 /nfs/dbraw/zinc/16/15/17/608161517.db2.gz LBBQWTXKESOXNV-ZETCQYMHSA-N -1 3 398.788 1.315 20 5 GDBDHM CCn1cc(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000825799109 608162842 /nfs/dbraw/zinc/16/28/42/608162842.db2.gz DPBBQPATNKLYMG-UHFFFAOYSA-N -1 3 390.747 1.466 20 5 GDBDHM CCn1cc(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000825799109 608162844 /nfs/dbraw/zinc/16/28/44/608162844.db2.gz DPBBQPATNKLYMG-UHFFFAOYSA-N -1 3 390.747 1.466 20 5 GDBDHM CN1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000826022575 608163202 /nfs/dbraw/zinc/16/32/02/608163202.db2.gz OKXQNTYBUZTNCU-ZETCQYMHSA-N -1 3 379.764 1.235 20 5 GDBDHM CN1CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000826022575 608163203 /nfs/dbraw/zinc/16/32/03/608163203.db2.gz OKXQNTYBUZTNCU-ZETCQYMHSA-N -1 3 379.764 1.235 20 5 GDBDHM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000826359853 608301999 /nfs/dbraw/zinc/30/19/99/608301999.db2.gz RPFFLMOFYBKHOK-BBRMVZONSA-N -1 3 384.400 1.601 20 5 GDBDHM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000826359853 608302001 /nfs/dbraw/zinc/30/20/01/608302001.db2.gz RPFFLMOFYBKHOK-BBRMVZONSA-N -1 3 384.400 1.601 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000826170668 608319642 /nfs/dbraw/zinc/31/96/42/608319642.db2.gz KKWZLLZNOVQBFP-UHFFFAOYSA-N -1 3 385.384 1.800 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000826170668 608319643 /nfs/dbraw/zinc/31/96/43/608319643.db2.gz KKWZLLZNOVQBFP-UHFFFAOYSA-N -1 3 385.384 1.800 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3nncn3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500518 608408619 /nfs/dbraw/zinc/40/86/19/608408619.db2.gz ATVSNPZSTQIZDW-JTQLQIEISA-N -1 3 382.388 1.480 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3nncn3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500518 608408621 /nfs/dbraw/zinc/40/86/21/608408621.db2.gz ATVSNPZSTQIZDW-JTQLQIEISA-N -1 3 382.388 1.480 20 5 GDBDHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480455 608433585 /nfs/dbraw/zinc/43/35/85/608433585.db2.gz WHTFYOITHVDQLN-LLVKDONJSA-N -1 3 395.379 1.382 20 5 GDBDHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480455 608433586 /nfs/dbraw/zinc/43/35/86/608433586.db2.gz WHTFYOITHVDQLN-LLVKDONJSA-N -1 3 395.379 1.382 20 5 GDBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440211 609246407 /nfs/dbraw/zinc/24/64/07/609246407.db2.gz DHYSPIDGSUBKPC-AWEZNQCLSA-N -1 3 388.771 1.778 20 5 GDBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440211 609246409 /nfs/dbraw/zinc/24/64/09/609246409.db2.gz DHYSPIDGSUBKPC-AWEZNQCLSA-N -1 3 388.771 1.778 20 5 GDBDHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826456870 609372471 /nfs/dbraw/zinc/37/24/71/609372471.db2.gz BSGGIUZLFUMIFF-OAHLLOKOSA-N -1 3 379.336 1.907 20 5 GDBDHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826456870 609372473 /nfs/dbraw/zinc/37/24/73/609372473.db2.gz BSGGIUZLFUMIFF-OAHLLOKOSA-N -1 3 379.336 1.907 20 5 GDBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000826167590 609510852 /nfs/dbraw/zinc/51/08/52/609510852.db2.gz KJXSUAPRJMWODL-UHFFFAOYSA-N -1 3 379.720 1.390 20 5 GDBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000826167590 609510853 /nfs/dbraw/zinc/51/08/53/609510853.db2.gz KJXSUAPRJMWODL-UHFFFAOYSA-N -1 3 379.720 1.390 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)c(Cl)c1 ZINC000533095558 650041709 /nfs/dbraw/zinc/04/17/09/650041709.db2.gz BPOCRLDBYNLXPP-GFCCVEGCSA-N -1 3 386.813 1.966 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@]2(CO)CCCO2)c(Cl)c1 ZINC000549989497 650586910 /nfs/dbraw/zinc/58/69/10/650586910.db2.gz CYUYWVBOMSGCTD-HUUCEWRRSA-N -1 3 390.845 1.847 20 5 GDBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000442965515 647166319 /nfs/dbraw/zinc/16/63/19/647166319.db2.gz KAZNNWSREURRNS-UHFFFAOYSA-N -1 3 390.780 1.424 20 5 GDBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc([N+](=O)[O-])[nH]1 ZINC000443970573 647232031 /nfs/dbraw/zinc/23/20/31/647232031.db2.gz UBTTZEKCFCUNGG-UHFFFAOYSA-N -1 3 378.819 1.346 20 5 GDBDHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 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MVNPRDBPMXSREB-NXEZZACHSA-N -1 3 393.824 1.529 20 5 GDBDHM COC(=O)N(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000849472098 655541987 /nfs/dbraw/zinc/54/19/87/655541987.db2.gz XYEUMJMZGHCYSA-UHFFFAOYSA-N -1 3 396.219 1.334 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000859433285 655784120 /nfs/dbraw/zinc/78/41/20/655784120.db2.gz AITBBZHLPXIWDC-NSHDSACASA-N -1 3 387.845 1.988 20 5 GDBDHM CCOC(=O)c1cnn(CCCOc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000825571031 947234576 /nfs/dbraw/zinc/23/45/76/947234576.db2.gz SPOMSTXEGTWEJU-UHFFFAOYSA-N -1 3 387.356 1.617 20 5 GDBDHM COc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826209746 947611770 /nfs/dbraw/zinc/61/17/70/947611770.db2.gz OPFBSQZTIZKRGS-UHFFFAOYSA-N -1 3 397.351 1.152 20 5 GDBDHM COc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826209746 947611778 /nfs/dbraw/zinc/61/17/78/947611778.db2.gz OPFBSQZTIZKRGS-UHFFFAOYSA-N -1 3 397.351 1.152 20 5 GDBDHM 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O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066575495 530763069 /nfs/dbraw/zinc/76/30/69/530763069.db2.gz WTGZOEZOLKBHQV-NSHDSACASA-N -1 3 392.231 1.304 20 5 GDBDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000067431984 530776179 /nfs/dbraw/zinc/77/61/79/530776179.db2.gz QCHICIXNFPZWLX-UHFFFAOYSA-N -1 3 383.451 1.813 20 5 GDBDHM CCCc1n[nH]c(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)c1[N+](=O)[O-] ZINC000069300551 530797345 /nfs/dbraw/zinc/79/73/45/530797345.db2.gz WGLACGGPPISZLE-UHFFFAOYSA-N -1 3 387.443 1.170 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)c(F)c1 ZINC000096998312 530818869 /nfs/dbraw/zinc/81/88/69/530818869.db2.gz ZTCMAGRNKZQBSJ-SECBINFHSA-N -1 3 385.339 1.896 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)ccc1Br ZINC000188309126 530890920 /nfs/dbraw/zinc/89/09/20/530890920.db2.gz JQPIGOFKTAZHOF-RKDXNWHRSA-N -1 3 379.232 1.797 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N(C)C 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JJEZEJXOSFOHFG-UHFFFAOYSA-N -1 3 391.812 1.665 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)CN2CCCCC2)cc1Cl ZINC000290641198 531246257 /nfs/dbraw/zinc/24/62/57/531246257.db2.gz DJURXOCUNRPLCZ-JTQLQIEISA-N -1 3 395.840 1.512 20 5 GDBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCNC(=O)c2ccc([O-])cc2)s1 ZINC000436722906 531283214 /nfs/dbraw/zinc/28/32/14/531283214.db2.gz KFYKBUIOCNIVDZ-UHFFFAOYSA-N -1 3 385.423 1.607 20 5 GDBDHM Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)ncc1[N+](=O)[O-] ZINC000440656165 531341750 /nfs/dbraw/zinc/34/17/50/531341750.db2.gz RLWQAQMMKLQSMU-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GDBDHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000292590200 531364018 /nfs/dbraw/zinc/36/40/18/531364018.db2.gz HDXJMRDVIIKDQI-SNVBAGLBSA-N -1 3 377.369 1.377 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCOC2)c1 ZINC000443266914 531388926 /nfs/dbraw/zinc/38/89/26/531388926.db2.gz CKVKIJKNIDLRNY-PELKAZGASA-N -1 3 395.231 1.033 20 5 GDBDHM 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ZINC000826500550 607843437 /nfs/dbraw/zinc/84/34/37/607843437.db2.gz BTDDQKDPBJBXJC-JTQLQIEISA-N -1 3 381.805 1.778 20 5 GDBDHM O=[N+]([O-])c1cnn(C[C@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826500550 607843438 /nfs/dbraw/zinc/84/34/38/607843438.db2.gz BTDDQKDPBJBXJC-JTQLQIEISA-N -1 3 381.805 1.778 20 5 GDBDHM COCCNC(=O)[C@H](CC(C)C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826160159 607905424 /nfs/dbraw/zinc/90/54/24/607905424.db2.gz HOZBBNHALCLPSR-ZDUSSCGKSA-N -1 3 377.405 1.364 20 5 GDBDHM COCCNC(=O)[C@H](CC(C)C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826160159 607905425 /nfs/dbraw/zinc/90/54/25/607905425.db2.gz HOZBBNHALCLPSR-ZDUSSCGKSA-N -1 3 377.405 1.364 20 5 GDBDHM CS(=O)(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000826221892 607987087 /nfs/dbraw/zinc/98/70/87/607987087.db2.gz ACSACHAZLRTRTN-HNNXBMFYSA-N -1 3 388.409 1.973 20 5 GDBDHM CS(=O)(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000826221892 607987088 /nfs/dbraw/zinc/98/70/88/607987088.db2.gz ACSACHAZLRTRTN-HNNXBMFYSA-N -1 3 388.409 1.973 20 5 GDBDHM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824466750 608124003 /nfs/dbraw/zinc/12/40/03/608124003.db2.gz YNYNNBIBODXNOR-SNVBAGLBSA-N -1 3 393.367 1.380 20 5 GDBDHM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824466750 608124004 /nfs/dbraw/zinc/12/40/04/608124004.db2.gz YNYNNBIBODXNOR-SNVBAGLBSA-N -1 3 393.367 1.380 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826502118 608125398 /nfs/dbraw/zinc/12/53/98/608125398.db2.gz VBEWHWKJFKGYHR-UHFFFAOYSA-N -1 3 395.335 1.671 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826500084 608329563 /nfs/dbraw/zinc/32/95/63/608329563.db2.gz KPFSTBPDTJNMDF-UHFFFAOYSA-N -1 3 392.372 1.534 20 5 GDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826498193 608332544 /nfs/dbraw/zinc/33/25/44/608332544.db2.gz KSUMZMJQSZJBFW-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826498193 608332545 /nfs/dbraw/zinc/33/25/45/608332545.db2.gz KSUMZMJQSZJBFW-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273096 608384464 /nfs/dbraw/zinc/38/44/64/608384464.db2.gz PGSFYUCEEWEGQS-HNNXBMFYSA-N -1 3 396.407 1.886 20 5 GDBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826392989 608444272 /nfs/dbraw/zinc/44/42/72/608444272.db2.gz WSLNZZKXTINVEO-UHFFFAOYSA-N -1 3 392.379 1.563 20 5 GDBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826392989 608444274 /nfs/dbraw/zinc/44/42/74/608444274.db2.gz WSLNZZKXTINVEO-UHFFFAOYSA-N -1 3 392.379 1.563 20 5 GDBDHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826458619 609312423 /nfs/dbraw/zinc/31/24/23/609312423.db2.gz YKKJBFIAFKBUQO-UHFFFAOYSA-N -1 3 383.303 1.680 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826268319 609317093 /nfs/dbraw/zinc/31/70/93/609317093.db2.gz SHUHRFQWVSCLBO-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826268319 609317095 /nfs/dbraw/zinc/31/70/95/609317095.db2.gz SHUHRFQWVSCLBO-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccncc1-c1nnn[n-]1 ZINC000826408515 609384001 /nfs/dbraw/zinc/38/40/01/609384001.db2.gz JOKFNCVCMRQYAG-UHFFFAOYSA-N -1 3 384.312 1.071 20 5 GDBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccncc1-c1nn[n-]n1 ZINC000826408515 609384004 /nfs/dbraw/zinc/38/40/04/609384004.db2.gz JOKFNCVCMRQYAG-UHFFFAOYSA-N -1 3 384.312 1.071 20 5 GDBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000533094144 650041405 /nfs/dbraw/zinc/04/14/05/650041405.db2.gz BQZDABSRXMAMCR-LLVKDONJSA-N -1 3 383.220 1.033 20 5 GDBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000542465512 650405527 /nfs/dbraw/zinc/40/55/27/650405527.db2.gz FQVNEZGOPKJMKF-UHFFFAOYSA-N -1 3 393.194 1.671 20 5 GDBDHM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000546885377 650489377 /nfs/dbraw/zinc/48/93/77/650489377.db2.gz VZTLXBOHRPQTIN-HNNXBMFYSA-N -1 3 384.435 1.659 20 5 GDBDHM O=C1CCCC(=O)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000466861202 647621382 /nfs/dbraw/zinc/62/13/82/647621382.db2.gz BNWPHLSSAJOIKN-UHFFFAOYSA-N -1 3 375.790 1.066 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000467074893 647629961 /nfs/dbraw/zinc/62/99/61/647629961.db2.gz NESOYPKWPRMRFI-ZDUSSCGKSA-N -1 3 391.471 1.126 20 5 GDBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCCOC1 ZINC000467082978 647630915 /nfs/dbraw/zinc/63/09/15/647630915.db2.gz DDRKNZWPHQRZNV-GWCFXTLKSA-N -1 3 392.455 1.601 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)n1 ZINC000495298434 648011237 /nfs/dbraw/zinc/01/12/37/648011237.db2.gz BLCBUROZFZYZRZ-UHFFFAOYSA-N -1 3 381.395 1.594 20 5 GDBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000511427078 648377324 /nfs/dbraw/zinc/37/73/24/648377324.db2.gz RBQPCEMCPAVNCT-UHFFFAOYSA-N -1 3 380.419 1.370 20 5 GDBDHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593637590 652229397 /nfs/dbraw/zinc/22/93/97/652229397.db2.gz ZBKOSQSVUAJHGR-MRVPVSSYSA-N -1 3 388.295 1.793 20 5 GDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594471944 652302011 /nfs/dbraw/zinc/30/20/11/652302011.db2.gz TVVUMQLLBXUDTD-UTUOFQBUSA-N -1 3 375.422 1.510 20 5 GDBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1(F)F ZINC000595351337 652410932 /nfs/dbraw/zinc/41/09/32/652410932.db2.gz RNCCBYVQKYFODF-GFCCVEGCSA-N -1 3 378.353 1.936 20 5 GDBDHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1cccnc1 ZINC000609916860 652862585 /nfs/dbraw/zinc/86/25/85/652862585.db2.gz KFHYJUILDZAPMH-UHFFFAOYSA-N -1 3 384.801 1.950 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000613474173 652958417 /nfs/dbraw/zinc/95/84/17/652958417.db2.gz GHMQYOUEUFAIMT-ZDUSSCGKSA-N -1 3 375.472 1.890 20 5 GDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](OC)C(F)(F)F ZINC000784322528 654882904 /nfs/dbraw/zinc/88/29/04/654882904.db2.gz YTUPOMQAFHRQES-SNVBAGLBSA-N -1 3 386.304 1.237 20 5 GDBDHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1=O ZINC000801714662 654931898 /nfs/dbraw/zinc/93/18/98/654931898.db2.gz WXDQCQRSERBWFG-SNVBAGLBSA-N -1 3 392.231 1.256 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)c(Cl)cc1Cl ZINC000809829219 655139529 /nfs/dbraw/zinc/13/95/29/655139529.db2.gz YFCDZLRCNBMAJX-VIFPVBQESA-N -1 3 395.268 1.180 20 5 GDBDHM O=C1O[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000848516010 655496322 /nfs/dbraw/zinc/49/63/22/655496322.db2.gz XISVZEYLPXIWCI-JTQLQIEISA-N -1 3 375.790 1.510 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F ZINC000849421784 655532332 /nfs/dbraw/zinc/53/23/32/655532332.db2.gz XNNJLSRYTPZVBA-QFIPXVFZSA-N -1 3 394.780 1.838 20 5 GDBDHM CCn1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 ZINC000859252467 655772110 /nfs/dbraw/zinc/77/21/10/655772110.db2.gz QGWZPRGHSIQQLZ-UHFFFAOYSA-N -1 3 390.219 1.447 20 5 GDBDHM C[C@@H]1CN(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820743284 945545383 /nfs/dbraw/zinc/54/53/83/945545383.db2.gz SPVYIBFYUOLNGQ-GHMZBOCLSA-N -1 3 376.421 1.470 20 5 GDBDHM C[C@@H]1CN(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820743284 945545390 /nfs/dbraw/zinc/54/53/90/945545390.db2.gz SPVYIBFYUOLNGQ-GHMZBOCLSA-N -1 3 376.421 1.470 20 5 GDBDHM C=C/C(C)=C\CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001573317190 947293393 /nfs/dbraw/zinc/29/33/93/947293393.db2.gz MKHDFEWXORSFRH-PQMHYQBVSA-N -1 3 383.412 1.946 20 5 GDBDHM C=C/C(C)=C\CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001573317190 947293401 /nfs/dbraw/zinc/29/34/01/947293401.db2.gz MKHDFEWXORSFRH-PQMHYQBVSA-N -1 3 383.412 1.946 20 5 GDBDHM Cc1ccc([C@H](C)NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826283564 947814574 /nfs/dbraw/zinc/81/45/74/947814574.db2.gz UQLZURPRZZHRMM-MEDUHNTESA-N -1 3 382.380 1.994 20 5 GDBDHM Cc1ccc([C@H](C)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826283564 947814591 /nfs/dbraw/zinc/81/45/91/947814591.db2.gz UQLZURPRZZHRMM-MEDUHNTESA-N -1 3 382.380 1.994 20 5 GDBDHM O=C([O-])c1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001608887620 970416527 /nfs/dbraw/zinc/41/65/27/970416527.db2.gz OYDZSBABNFPTSN-UHFFFAOYSA-N -1 3 379.394 1.361 20 5 GDBDHM CN1CCC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C(=O)[O-])C2)C1 ZINC001598598560 993541411 /nfs/dbraw/zinc/54/14/11/993541411.db2.gz PODCMAWFOUARTM-INIZCTEOSA-N -1 3 383.426 1.399 20 5 GDBDHM CN1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])C1 ZINC001598607691 993697921 /nfs/dbraw/zinc/69/79/21/993697921.db2.gz SKCMIJHRXKQTHY-HNNXBMFYSA-N -1 3 378.429 1.575 20 5 GDBDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(N)=O ZINC000163332434 530575129 /nfs/dbraw/zinc/57/51/29/530575129.db2.gz DHMHRUKFHHDGRU-JTQLQIEISA-N -1 3 383.348 1.792 20 5 GDBDHM CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055235461 530705939 /nfs/dbraw/zinc/70/59/39/530705939.db2.gz MSISQXPJJMGTLL-ZDUSSCGKSA-N -1 3 375.422 1.369 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)NCC1CC1 ZINC000179907666 530753083 /nfs/dbraw/zinc/75/30/83/530753083.db2.gz VXAMNPDUJGLEEN-UHFFFAOYSA-N -1 3 381.332 1.418 20 5 GDBDHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000184472549 530829143 /nfs/dbraw/zinc/82/91/43/530829143.db2.gz MEWAQAKQCSEYNV-JTQLQIEISA-N -1 3 381.332 1.177 20 5 GDBDHM C[C@@H](CCN1CCN(C)CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185334429 530839900 /nfs/dbraw/zinc/83/99/00/530839900.db2.gz DAMSFOQWETWAGQ-LBPRGKRZSA-N -1 3 390.893 1.553 20 5 GDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1cnc(C2CC2)s1 ZINC000134335684 531099702 /nfs/dbraw/zinc/09/97/02/531099702.db2.gz LHPGPQKCSVQMOA-UHFFFAOYSA-N -1 3 382.467 1.997 20 5 GDBDHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264035445 531165934 /nfs/dbraw/zinc/16/59/34/531165934.db2.gz BYKLNJLWZPFIPQ-VIFPVBQESA-N -1 3 389.231 1.921 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ncnn1C ZINC000276643544 531219508 /nfs/dbraw/zinc/21/95/08/531219508.db2.gz HUAWBBGPJOYSNV-SSDOTTSWSA-N -1 3 390.219 1.525 20 5 GDBDHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000290330560 531223868 /nfs/dbraw/zinc/22/38/68/531223868.db2.gz AQPXXYQCLUJJAE-VIFPVBQESA-N -1 3 397.284 1.426 20 5 GDBDHM O=C(CCc1nccs1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265225686 531235642 /nfs/dbraw/zinc/23/56/42/531235642.db2.gz AYIBHDOWPONEOQ-UHFFFAOYSA-N -1 3 384.439 1.079 20 5 GDBDHM COc1c(S(=O)(=O)[N-][C@H](C)CO)cc(Br)c(C)c1[N+](=O)[O-] ZINC000277098125 531257497 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1.667 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738368604 599596324 /nfs/dbraw/zinc/59/63/24/599596324.db2.gz FRFPSWAYOSTKDQ-UHFFFAOYSA-N -1 3 386.393 1.667 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313699 599618908 /nfs/dbraw/zinc/61/89/08/599618908.db2.gz FXFHIGDHQRXQMC-JTQLQIEISA-N -1 3 381.352 1.591 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313699 599618910 /nfs/dbraw/zinc/61/89/10/599618910.db2.gz FXFHIGDHQRXQMC-JTQLQIEISA-N -1 3 381.352 1.591 20 5 GDBDHM Cn1c(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1[N+](=O)[O-] ZINC000822596454 599651617 /nfs/dbraw/zinc/65/16/17/599651617.db2.gz KEYGGOCPFDVKBP-UHFFFAOYSA-N -1 3 396.323 1.520 20 5 GDBDHM Cn1c(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1[N+](=O)[O-] ZINC000822596454 599651618 /nfs/dbraw/zinc/65/16/18/599651618.db2.gz KEYGGOCPFDVKBP-UHFFFAOYSA-N -1 3 396.323 1.520 20 5 GDBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1sccc1-c1nnn[n-]1 ZINC000826424691 607521279 /nfs/dbraw/zinc/52/12/79/607521279.db2.gz YPSVOKOFRLKROL-UHFFFAOYSA-N -1 3 381.761 1.290 20 5 GDBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1sccc1-c1nn[n-]n1 ZINC000826424691 607521281 /nfs/dbraw/zinc/52/12/81/607521281.db2.gz YPSVOKOFRLKROL-UHFFFAOYSA-N -1 3 381.761 1.290 20 5 GDBDHM CCOCCO[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825604245 607543460 /nfs/dbraw/zinc/54/34/60/607543460.db2.gz FZRSSZOKBNYTLX-ZDUSSCGKSA-N -1 3 399.411 1.955 20 5 GDBDHM CCOCCO[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825604245 607543462 /nfs/dbraw/zinc/54/34/62/607543462.db2.gz FZRSSZOKBNYTLX-ZDUSSCGKSA-N -1 3 399.411 1.955 20 5 GDBDHM Cc1cccc(S(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826303883 607602429 /nfs/dbraw/zinc/60/24/29/607602429.db2.gz KMBKCGSMDOKBHM-UHFFFAOYSA-N -1 3 389.349 1.664 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826500343 607651432 /nfs/dbraw/zinc/65/14/32/607651432.db2.gz UYHMLGOHZHWULJ-UHFFFAOYSA-N -1 3 392.372 1.435 20 5 GDBDHM Cc1cccc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826303604 607651804 /nfs/dbraw/zinc/65/18/04/607651804.db2.gz WRYWOBBCRCIRFF-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM Cc1cccc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826303604 607651806 /nfs/dbraw/zinc/65/18/06/607651806.db2.gz WRYWOBBCRCIRFF-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM Cc1nnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2nnn[n-]2)c1C ZINC000826336040 607728095 /nfs/dbraw/zinc/72/80/95/607728095.db2.gz KWZNWQQQJUESTD-LLVKDONJSA-N -1 3 382.388 1.268 20 5 GDBDHM Cc1nnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2nn[n-]n2)c1C ZINC000826336040 607728096 /nfs/dbraw/zinc/72/80/96/607728096.db2.gz KWZNWQQQJUESTD-LLVKDONJSA-N -1 3 382.388 1.268 20 5 GDBDHM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000834240334 605565502 /nfs/dbraw/zinc/56/55/02/605565502.db2.gz JIVDDMCNFSMVMU-YFCVBGDOSA-N -1 3 376.413 1.704 20 5 GDBDHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000822208167 606218667 /nfs/dbraw/zinc/21/86/67/606218667.db2.gz DWRXVWFVPXBXBS-UHFFFAOYSA-N -1 3 393.367 1.860 20 5 GDBDHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000822208167 606218669 /nfs/dbraw/zinc/21/86/69/606218669.db2.gz DWRXVWFVPXBXBS-UHFFFAOYSA-N -1 3 393.367 1.860 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648707 606369171 /nfs/dbraw/zinc/36/91/71/606369171.db2.gz QLIPPTPNLIFVBI-CYBMUJFWSA-N -1 3 386.324 1.185 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648707 606369173 /nfs/dbraw/zinc/36/91/73/606369173.db2.gz QLIPPTPNLIFVBI-CYBMUJFWSA-N -1 3 386.324 1.185 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821650073 606372130 /nfs/dbraw/zinc/37/21/30/606372130.db2.gz JSLMLRVXBURCJP-LBPRGKRZSA-N -1 3 389.349 1.908 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821650073 606372131 /nfs/dbraw/zinc/37/21/31/606372131.db2.gz JSLMLRVXBURCJP-LBPRGKRZSA-N -1 3 389.349 1.908 20 5 GDBDHM Cc1nn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(N)c1-c1nnn[n-]1 ZINC000822500891 606654446 /nfs/dbraw/zinc/65/44/46/606654446.db2.gz LFWDSJRUYBUAIE-UHFFFAOYSA-N -1 3 377.752 1.154 20 5 GDBDHM Cc1nn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(N)c1-c1nn[n-]n1 ZINC000822500891 606654447 /nfs/dbraw/zinc/65/44/47/606654447.db2.gz LFWDSJRUYBUAIE-UHFFFAOYSA-N -1 3 377.752 1.154 20 5 GDBDHM COc1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821798997 606672222 /nfs/dbraw/zinc/67/22/22/606672222.db2.gz XCTXROYWSBGAAH-UHFFFAOYSA-N -1 3 390.306 1.992 20 5 GDBDHM COc1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821798997 606672223 /nfs/dbraw/zinc/67/22/23/606672223.db2.gz XCTXROYWSBGAAH-UHFFFAOYSA-N -1 3 390.306 1.992 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823658016 606693718 /nfs/dbraw/zinc/69/37/18/606693718.db2.gz YGOVNCKNGFFXMQ-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823658016 606693719 /nfs/dbraw/zinc/69/37/19/606693719.db2.gz YGOVNCKNGFFXMQ-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820438270 606748474 /nfs/dbraw/zinc/74/84/74/606748474.db2.gz LUSHVYYEOKOILJ-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820438270 606748475 /nfs/dbraw/zinc/74/84/75/606748475.db2.gz LUSHVYYEOKOILJ-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000823645233 606841378 /nfs/dbraw/zinc/84/13/78/606841378.db2.gz QAWLJDJBTRHQRW-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=c1c(Br)cn(Cc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000823657476 606870825 /nfs/dbraw/zinc/87/08/25/606870825.db2.gz PNXLGHXMTYKLBX-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cn(Cc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000823657476 606870826 /nfs/dbraw/zinc/87/08/26/606870826.db2.gz PNXLGHXMTYKLBX-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cn(Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000823656208 606871227 /nfs/dbraw/zinc/87/12/27/606871227.db2.gz AEEWXFHVJCZCDN-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=c1c(Br)cn(Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000823656208 606871228 /nfs/dbraw/zinc/87/12/28/606871228.db2.gz AEEWXFHVJCZCDN-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822907538 606900064 /nfs/dbraw/zinc/90/00/64/606900064.db2.gz RSKCGDHJXIGFBM-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822907538 606900065 /nfs/dbraw/zinc/90/00/65/606900065.db2.gz RSKCGDHJXIGFBM-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM C[C@@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[S@](C)=O ZINC000820242328 607041339 /nfs/dbraw/zinc/04/13/39/607041339.db2.gz MZGBSKDHKKOASC-MGGBDBEPSA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@@H](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[S@](C)=O ZINC000820242328 607041341 /nfs/dbraw/zinc/04/13/41/607041341.db2.gz MZGBSKDHKKOASC-MGGBDBEPSA-N -1 3 375.414 1.892 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821846277 607142328 /nfs/dbraw/zinc/14/23/28/607142328.db2.gz PCGUBANOJMESTO-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821846277 607142329 /nfs/dbraw/zinc/14/23/29/607142329.db2.gz PCGUBANOJMESTO-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000822196483 607175968 /nfs/dbraw/zinc/17/59/68/607175968.db2.gz KZQJGQXKZZFRGV-UHFFFAOYSA-N -1 3 379.384 1.670 20 5 GDBDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000822196483 607175969 /nfs/dbraw/zinc/17/59/69/607175969.db2.gz KZQJGQXKZZFRGV-UHFFFAOYSA-N -1 3 379.384 1.670 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)ncn1 ZINC000826091161 607841519 /nfs/dbraw/zinc/84/15/19/607841519.db2.gz XEQPDOZCZQXXLN-LBPRGKRZSA-N -1 3 396.415 1.688 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)ncn1 ZINC000826091161 607841520 /nfs/dbraw/zinc/84/15/20/607841520.db2.gz XEQPDOZCZQXXLN-LBPRGKRZSA-N -1 3 396.415 1.688 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])n1 ZINC000825805259 607851740 /nfs/dbraw/zinc/85/17/40/607851740.db2.gz ZONPHDTUDYJJLK-UHFFFAOYSA-N -1 3 399.776 1.412 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])n1 ZINC000825805259 607851741 /nfs/dbraw/zinc/85/17/41/607851741.db2.gz ZONPHDTUDYJJLK-UHFFFAOYSA-N -1 3 399.776 1.412 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826502081 607863156 /nfs/dbraw/zinc/86/31/56/607863156.db2.gz UCAJQHROBGULAL-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826502081 607863157 /nfs/dbraw/zinc/86/31/57/607863157.db2.gz UCAJQHROBGULAL-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM CC(=O)c1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029132 607873124 /nfs/dbraw/zinc/87/31/24/607873124.db2.gz FHLRSUUQXGIPGV-CQSZACIVSA-N -1 3 399.363 1.796 20 5 GDBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826499211 607873452 /nfs/dbraw/zinc/87/34/52/607873452.db2.gz ZVOYAANSWPNMHA-LBPRGKRZSA-N -1 3 375.316 1.733 20 5 GDBDHM CC(=O)c1ccc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC000824029606 607876136 /nfs/dbraw/zinc/87/61/36/607876136.db2.gz OIRBVUJNYUDAJH-CYBMUJFWSA-N -1 3 399.363 1.796 20 5 GDBDHM CC(=O)c1ccc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC000824029606 607876137 /nfs/dbraw/zinc/87/61/37/607876137.db2.gz OIRBVUJNYUDAJH-CYBMUJFWSA-N -1 3 399.363 1.796 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826439969 607983879 /nfs/dbraw/zinc/98/38/79/607983879.db2.gz SCGBSTLCFXAWAN-UHFFFAOYSA-N -1 3 381.352 1.072 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826439969 607983880 /nfs/dbraw/zinc/98/38/80/607983880.db2.gz SCGBSTLCFXAWAN-UHFFFAOYSA-N -1 3 381.352 1.072 20 5 GDBDHM O=C(CCOC1CCOCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826408076 608161568 /nfs/dbraw/zinc/16/15/68/608161568.db2.gz ORYYHDUKYPETBM-UHFFFAOYSA-N -1 3 396.791 1.953 20 5 GDBDHM O=C(CCOC1CCOCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826408076 608161569 /nfs/dbraw/zinc/16/15/69/608161569.db2.gz ORYYHDUKYPETBM-UHFFFAOYSA-N -1 3 396.791 1.953 20 5 GDBDHM CCC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CCOC ZINC000825261424 608303559 /nfs/dbraw/zinc/30/35/59/608303559.db2.gz YWYJNECEGIVSTI-GFCCVEGCSA-N -1 3 376.421 1.107 20 5 GDBDHM COCCOC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826160015 608379329 /nfs/dbraw/zinc/37/93/29/608379329.db2.gz BPHNKKSRUQADLL-UHFFFAOYSA-N -1 3 399.411 1.955 20 5 GDBDHM COCCOC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826160015 608379331 /nfs/dbraw/zinc/37/93/31/608379331.db2.gz BPHNKKSRUQADLL-UHFFFAOYSA-N -1 3 399.411 1.955 20 5 GDBDHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824641775 608426303 /nfs/dbraw/zinc/42/63/03/608426303.db2.gz YWQIYICZQVULFP-SECBINFHSA-N -1 3 392.372 1.954 20 5 GDBDHM O=[N+]([O-])c1cnc2ccc(N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)nn21 ZINC000826500635 608439236 /nfs/dbraw/zinc/43/92/36/608439236.db2.gz GDZIXMWNPLRVJD-ZDUSSCGKSA-N -1 3 393.367 1.396 20 5 GDBDHM O=[N+]([O-])c1cnc2ccc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)nn21 ZINC000826500635 608439237 /nfs/dbraw/zinc/43/92/37/608439237.db2.gz GDZIXMWNPLRVJD-ZDUSSCGKSA-N -1 3 393.367 1.396 20 5 GDBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824723383 608452987 /nfs/dbraw/zinc/45/29/87/608452987.db2.gz QYFJGBITBSLTPM-VIFPVBQESA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824723383 608452989 /nfs/dbraw/zinc/45/29/89/608452989.db2.gz QYFJGBITBSLTPM-VIFPVBQESA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824723382 608453053 /nfs/dbraw/zinc/45/30/53/608453053.db2.gz QYFJGBITBSLTPM-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824723382 608453054 /nfs/dbraw/zinc/45/30/54/608453054.db2.gz QYFJGBITBSLTPM-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471472 608471351 /nfs/dbraw/zinc/47/13/51/608471351.db2.gz QTQZTMXWNHOXFK-SNVBAGLBSA-N -1 3 381.352 1.591 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471472 608471352 /nfs/dbraw/zinc/47/13/52/608471352.db2.gz QTQZTMXWNHOXFK-SNVBAGLBSA-N -1 3 381.352 1.591 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826473710 608787650 /nfs/dbraw/zinc/78/76/50/608787650.db2.gz KBCMZOJDXCZJAH-UHFFFAOYSA-N -1 3 380.368 1.132 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826473710 608787651 /nfs/dbraw/zinc/78/76/51/608787651.db2.gz KBCMZOJDXCZJAH-UHFFFAOYSA-N -1 3 380.368 1.132 20 5 GDBDHM CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1-c1nnn[n-]1 ZINC000825812971 609395302 /nfs/dbraw/zinc/39/53/02/609395302.db2.gz ZCTYVVVJTNCXLN-INIZCTEOSA-N -1 3 393.363 1.931 20 5 GDBDHM CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1-c1nn[n-]n1 ZINC000825812971 609395304 /nfs/dbraw/zinc/39/53/04/609395304.db2.gz ZCTYVVVJTNCXLN-INIZCTEOSA-N -1 3 393.363 1.931 20 5 GDBDHM Cc1cc(C(=O)NCC(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826259134 609410001 /nfs/dbraw/zinc/41/00/01/609410001.db2.gz IWJCFZKVXXXMOG-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM Cc1cc(C(=O)NCC(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826259134 609410005 /nfs/dbraw/zinc/41/00/05/609410005.db2.gz IWJCFZKVXXXMOG-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826186301 609450901 /nfs/dbraw/zinc/45/09/01/609450901.db2.gz MURAOPPWEXJXBF-UHFFFAOYSA-N -1 3 384.308 1.765 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826186301 609450903 /nfs/dbraw/zinc/45/09/03/609450903.db2.gz MURAOPPWEXJXBF-UHFFFAOYSA-N -1 3 384.308 1.765 20 5 GDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000532795939 650034195 /nfs/dbraw/zinc/03/41/95/650034195.db2.gz XXGZPUPOOAXMSO-SNVBAGLBSA-N -1 3 383.202 1.908 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[S@@](=O)Cc2ccccc2)c(F)c1 ZINC000116898245 644649054 /nfs/dbraw/zinc/64/90/54/644649054.db2.gz FWBCTKRDVQVLLE-DEOSSOPVSA-N -1 3 386.426 1.961 20 5 GDBDHM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119894910 644663946 /nfs/dbraw/zinc/66/39/46/644663946.db2.gz PKLVIZOTHXFHNE-UHFFFAOYSA-N -1 3 394.247 1.408 20 5 GDBDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000158149442 644834679 /nfs/dbraw/zinc/83/46/79/644834679.db2.gz LEMRLCUMLUIRMT-JTQLQIEISA-N -1 3 380.220 1.146 20 5 GDBDHM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173021239 644886990 /nfs/dbraw/zinc/88/69/90/644886990.db2.gz MVFHQZSEGKJJRA-JTQLQIEISA-N -1 3 392.231 1.304 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCS(=O)CC2)c(C(F)(F)F)c1 ZINC000330826612 645423985 /nfs/dbraw/zinc/42/39/85/645423985.db2.gz FUHJYSNTHRSSCG-UHFFFAOYSA-N -1 3 386.373 1.803 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(Br)CC2)cc1[N+](=O)[O-] ZINC000920056893 660264789 /nfs/dbraw/zinc/26/47/89/660264789.db2.gz BNNUUBANPLCKNH-UHFFFAOYSA-N -1 3 383.195 1.948 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)c(F)c1 ZINC000921323262 660289763 /nfs/dbraw/zinc/28/97/63/660289763.db2.gz FIFAXNZIMAUVFB-QWHCGFSZSA-N -1 3 375.447 1.592 20 5 GDBDHM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000480395575 647846738 /nfs/dbraw/zinc/84/67/38/647846738.db2.gz REXHWKMWVHTGIW-UHFFFAOYSA-N -1 3 390.464 1.928 20 5 GDBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000574761938 651566807 /nfs/dbraw/zinc/56/68/07/651566807.db2.gz PPNANLVTPYFKOW-UHFFFAOYSA-N -1 3 382.316 1.988 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(Br)c1 ZINC000599392529 652489030 /nfs/dbraw/zinc/48/90/30/652489030.db2.gz VKKQCXYRIYIASQ-MNOVXSKESA-N -1 3 395.231 1.176 20 5 GDBDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1F ZINC000771162156 654531086 /nfs/dbraw/zinc/53/10/86/654531086.db2.gz HWLQRDADLQXTHD-UHFFFAOYSA-N -1 3 390.370 1.873 20 5 GDBDHM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277337 654699173 /nfs/dbraw/zinc/69/91/73/654699173.db2.gz XDQRREXROFJBOE-SECBINFHSA-N -1 3 389.231 1.921 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCCN2CCC(O)CC2)c1 ZINC000798228574 655259067 /nfs/dbraw/zinc/25/90/67/655259067.db2.gz NHUUMPJQLHONBV-UHFFFAOYSA-N -1 3 395.840 1.512 20 5 GDBDHM NC(=O)C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000841490860 655328564 /nfs/dbraw/zinc/32/85/64/655328564.db2.gz KFHWAWVHMBCGOD-UHFFFAOYSA-N -1 3 381.332 1.690 20 5 GDBDHM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000859403623 655781609 /nfs/dbraw/zinc/78/16/09/655781609.db2.gz YVASRTWWDQHSEL-ZETCQYMHSA-N -1 3 385.320 1.300 20 5 GDBDHM COc1cc(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000826179427 947556734 /nfs/dbraw/zinc/55/67/34/947556734.db2.gz NYZYRFHHUGOCPE-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM COc1cc(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000826179427 947556747 /nfs/dbraw/zinc/55/67/47/947556747.db2.gz NYZYRFHHUGOCPE-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826277829 947801080 /nfs/dbraw/zinc/80/10/80/947801080.db2.gz ILBZRXZBZNZDAT-UHFFFAOYSA-N -1 3 395.379 1.760 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826277829 947801089 /nfs/dbraw/zinc/80/10/89/947801089.db2.gz ILBZRXZBZNZDAT-UHFFFAOYSA-N -1 3 395.379 1.760 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826396215 948208715 /nfs/dbraw/zinc/20/87/15/948208715.db2.gz MZACRLBQLOXAMJ-UHFFFAOYSA-N -1 3 394.395 1.320 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826396215 948208722 /nfs/dbraw/zinc/20/87/22/948208722.db2.gz MZACRLBQLOXAMJ-UHFFFAOYSA-N -1 3 394.395 1.320 20 5 GDBDHM CC(C)(C)C(=O)NCCOCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001573802442 949420923 /nfs/dbraw/zinc/42/09/23/949420923.db2.gz HCGAURRIDBJSAX-UHFFFAOYSA-N -1 3 391.432 1.756 20 5 GDBDHM CC(C)(C)C(=O)NCCOCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001573802442 949420933 /nfs/dbraw/zinc/42/09/33/949420933.db2.gz HCGAURRIDBJSAX-UHFFFAOYSA-N -1 3 391.432 1.756 20 5 GDBDHM C[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)c(-c3nnn[n-]3)cc2C1 ZINC001576217335 950757601 /nfs/dbraw/zinc/75/76/01/950757601.db2.gz MRKONZFMGBMOGR-SECBINFHSA-N -1 3 382.384 1.886 20 5 GDBDHM C[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)c(-c3nn[n-]n3)cc2C1 ZINC001576217335 950757624 /nfs/dbraw/zinc/75/76/24/950757624.db2.gz MRKONZFMGBMOGR-SECBINFHSA-N -1 3 382.384 1.886 20 5 GDBDHM C[C@@](CO)(NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001575180280 952416653 /nfs/dbraw/zinc/41/66/53/952416653.db2.gz ZEJCGPZHSYTHJQ-KRWDZBQOSA-N -1 3 386.343 1.552 20 5 GDBDHM C[C@@](CO)(NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001575180280 952416657 /nfs/dbraw/zinc/41/66/57/952416657.db2.gz ZEJCGPZHSYTHJQ-KRWDZBQOSA-N -1 3 386.343 1.552 20 5 GDBDHM O=C([O-])c1cn([C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000593748156 974986722 /nfs/dbraw/zinc/98/67/22/974986722.db2.gz HEKVWGVSKNLVPL-CQSZACIVSA-N -1 3 375.385 1.991 20 5 GDBDHM CCO[C@H]1C[C@](CO)(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001596810961 985357632 /nfs/dbraw/zinc/35/76/32/985357632.db2.gz YPNYLRVDSOPIBS-MAUKXSAKSA-N -1 3 382.413 1.714 20 5 GDBDHM CN(C[C@@H](O)CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001598435220 991817151 /nfs/dbraw/zinc/81/71/51/991817151.db2.gz CZJUUMGZEUGMEQ-KBXCAEBGSA-N -1 3 397.428 1.712 20 5 GDBDHM CC(C)CN1CCO[C@H](CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591366901 992384191 /nfs/dbraw/zinc/38/41/91/992384191.db2.gz FTSPGHMCUAKSIF-OAHLLOKOSA-N -1 3 381.429 1.505 20 5 GDBDHM C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C(=O)[O-])cs1 ZINC001593270944 994598693 /nfs/dbraw/zinc/59/86/93/994598693.db2.gz CDZUAAKXOUCLLF-JTQLQIEISA-N -1 3 399.450 1.984 20 5 GDBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001593737533 996336842 /nfs/dbraw/zinc/33/68/42/996336842.db2.gz IGOSLMOOWQVWLM-DGCLKSJQSA-N -1 3 375.385 1.654 20 5 GDBDHM Cc1noc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000163161908 530573468 /nfs/dbraw/zinc/57/34/68/530573468.db2.gz RTMUNDQSABWYMF-UHFFFAOYSA-N -1 3 380.304 1.826 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(S(C)(=O)=O)cc1 ZINC000056057153 530714235 /nfs/dbraw/zinc/71/42/35/530714235.db2.gz RIXPOKKMQPWSBN-UHFFFAOYSA-N -1 3 384.435 1.785 20 5 GDBDHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000186348475 530855652 /nfs/dbraw/zinc/85/56/52/530855652.db2.gz NXNGPQDRFVFEPF-UHFFFAOYSA-N -1 3 387.801 1.988 20 5 GDBDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(N)=O ZINC000113290540 530888495 /nfs/dbraw/zinc/88/84/95/530888495.db2.gz FXTOVPJEBIBNFF-JTQLQIEISA-N -1 3 394.247 1.536 20 5 GDBDHM COc1c(S(=O)(=O)[N-]CCN(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276864846 531235130 /nfs/dbraw/zinc/23/51/30/531235130.db2.gz GXPMAGHSDBBXIZ-UHFFFAOYSA-N -1 3 396.263 1.514 20 5 GDBDHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472738658 531239479 /nfs/dbraw/zinc/23/94/79/531239479.db2.gz UMXJHNIYGUZOOF-ZMWSMAPVSA-N -1 3 379.232 1.963 20 5 GDBDHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1(C)C ZINC000474388079 531274260 /nfs/dbraw/zinc/27/42/60/531274260.db2.gz DQWMQVGKGNWQMF-RISCZKNCSA-N -1 3 378.472 1.809 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000525388805 531292170 /nfs/dbraw/zinc/29/21/70/531292170.db2.gz LNEJVBOFBKIOSH-CMPLNLGQSA-N -1 3 392.455 1.238 20 5 GDBDHM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000278819648 531392905 /nfs/dbraw/zinc/39/29/05/531392905.db2.gz SZPRCPMKQRRFEW-QPUJVOFHSA-N -1 3 395.231 1.176 20 5 GDBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCCSC1 ZINC000267376421 531422951 /nfs/dbraw/zinc/42/29/51/531422951.db2.gz UWEUBQVAUWZRFP-NSHDSACASA-N -1 3 388.471 1.068 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000267614741 531438900 /nfs/dbraw/zinc/43/89/00/531438900.db2.gz DJGGFCMDYDHGPF-UHFFFAOYSA-N -1 3 399.878 1.163 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2cnc(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000267663397 531442946 /nfs/dbraw/zinc/44/29/46/531442946.db2.gz XFEPBHVVTBUWPV-UHFFFAOYSA-N -1 3 387.849 1.835 20 5 GDBDHM CC(C)(C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000449887499 531481170 /nfs/dbraw/zinc/48/11/70/531481170.db2.gz KFBJBBVJSMSSKW-UHFFFAOYSA-N -1 3 379.385 1.671 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280966661 531562343 /nfs/dbraw/zinc/56/23/43/531562343.db2.gz LIYNVTAEKPUKQZ-QWRGUYRKSA-N -1 3 378.834 1.480 20 5 GDBDHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000492194902 531563005 /nfs/dbraw/zinc/56/30/05/531563005.db2.gz TVJSGGRCOYIFTK-QWRGUYRKSA-N -1 3 379.232 1.795 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000416356083 531578557 /nfs/dbraw/zinc/57/85/57/531578557.db2.gz APULMXCAHRGPPY-MRVPVSSYSA-N -1 3 388.345 1.079 20 5 GDBDHM COCCOCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416373167 531585702 /nfs/dbraw/zinc/58/57/02/531585702.db2.gz LWDVRQZGLSXKFI-UHFFFAOYSA-N -1 3 386.348 1.945 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000269149785 531615856 /nfs/dbraw/zinc/61/58/56/531615856.db2.gz ROKHOEZEFGYNBB-ABAIWWIYSA-N -1 3 388.467 1.936 20 5 GDBDHM Cc1nn(C)cc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416457514 531623284 /nfs/dbraw/zinc/62/32/84/531623284.db2.gz OICPUGXPLVAXHP-UHFFFAOYSA-N -1 3 389.231 1.878 20 5 GDBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269737421 531731279 /nfs/dbraw/zinc/73/12/79/531731279.db2.gz DJGBTNOPEFMRHV-NSHDSACASA-N -1 3 399.288 1.750 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c1 ZINC000452044190 531759168 /nfs/dbraw/zinc/75/91/68/531759168.db2.gz ILIYGBOQBCRQDE-LBPRGKRZSA-N -1 3 379.232 1.797 20 5 GDBDHM CN1CCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000282525687 531765715 /nfs/dbraw/zinc/76/57/15/531765715.db2.gz MBKUMIMDMRLKKG-UHFFFAOYSA-N -1 3 390.893 1.553 20 5 GDBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CS1(=O)=O ZINC000594847315 531860877 /nfs/dbraw/zinc/86/08/77/531860877.db2.gz DAFDVVKLUSXWPK-WPRPVWTQSA-N -1 3 382.847 1.492 20 5 GDBDHM CC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)OCCO1 ZINC000271084219 531963832 /nfs/dbraw/zinc/96/38/32/531963832.db2.gz YENREEIENAFCOG-UHFFFAOYSA-N -1 3 381.204 1.399 20 5 GDBDHM CC1(C)[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(F)F ZINC000598335822 531975792 /nfs/dbraw/zinc/97/57/92/531975792.db2.gz AIBDULXDAOHRQJ-NSHDSACASA-N -1 3 377.369 1.281 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCN(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000287345737 532210648 /nfs/dbraw/zinc/21/06/48/532210648.db2.gz HEXIWRXRNPBROX-JTQLQIEISA-N -1 3 390.849 1.626 20 5 GDBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000275347316 532288340 /nfs/dbraw/zinc/28/83/40/532288340.db2.gz GCKUMISMQMOCEE-SUHUHFCYSA-N -1 3 378.378 1.213 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736901229 598893552 /nfs/dbraw/zinc/89/35/52/598893552.db2.gz XAPUHZKGKAPJFX-CQSZACIVSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736901229 598893554 /nfs/dbraw/zinc/89/35/54/598893554.db2.gz XAPUHZKGKAPJFX-CQSZACIVSA-N -1 3 383.320 1.846 20 5 GDBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000736038789 599027613 /nfs/dbraw/zinc/02/76/13/599027613.db2.gz XVLAWKLRNDERKU-NSHDSACASA-N -1 3 387.356 1.372 20 5 GDBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000736038789 599027615 /nfs/dbraw/zinc/02/76/15/599027615.db2.gz XVLAWKLRNDERKU-NSHDSACASA-N -1 3 387.356 1.372 20 5 GDBDHM Cc1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737408536 599043049 /nfs/dbraw/zinc/04/30/49/599043049.db2.gz ISXYFFNCJRSOBV-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737408536 599043052 /nfs/dbraw/zinc/04/30/52/599043052.db2.gz ISXYFFNCJRSOBV-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccnc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000737436698 599044660 /nfs/dbraw/zinc/04/46/60/599044660.db2.gz KKBDNBWAXBPJQD-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM Cc1ccnc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000737436698 599044663 /nfs/dbraw/zinc/04/46/63/599044663.db2.gz KKBDNBWAXBPJQD-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000820667725 599097867 /nfs/dbraw/zinc/09/78/67/599097867.db2.gz NRSKMAJNWPDDSD-ZANVPECISA-N -1 3 383.372 1.114 20 5 GDBDHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000820667725 599097870 /nfs/dbraw/zinc/09/78/70/599097870.db2.gz NRSKMAJNWPDDSD-ZANVPECISA-N -1 3 383.372 1.114 20 5 GDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822974577 599181530 /nfs/dbraw/zinc/18/15/30/599181530.db2.gz SDCLNQFPRNUEBF-UHFFFAOYSA-N -1 3 386.343 1.999 20 5 GDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822974577 599181531 /nfs/dbraw/zinc/18/15/31/599181531.db2.gz SDCLNQFPRNUEBF-UHFFFAOYSA-N -1 3 386.343 1.999 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738089594 599221577 /nfs/dbraw/zinc/22/15/77/599221577.db2.gz NULAJLCRCGBJDD-UHFFFAOYSA-N -1 3 398.335 1.312 20 5 GDBDHM Cc1c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cccc1-c1nnn[n-]1 ZINC000822115354 607269026 /nfs/dbraw/zinc/26/90/26/607269026.db2.gz CXFKUIBDYAKRKG-UHFFFAOYSA-N -1 3 391.351 1.916 20 5 GDBDHM Cc1c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cccc1-c1nn[n-]n1 ZINC000822115354 607269027 /nfs/dbraw/zinc/26/90/27/607269027.db2.gz CXFKUIBDYAKRKG-UHFFFAOYSA-N -1 3 391.351 1.916 20 5 GDBDHM NC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737759136 599269537 /nfs/dbraw/zinc/26/95/37/599269537.db2.gz HPGIVNKEWPFUTA-UHFFFAOYSA-N -1 3 394.395 1.200 20 5 GDBDHM NC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737759136 599269539 /nfs/dbraw/zinc/26/95/39/599269539.db2.gz HPGIVNKEWPFUTA-UHFFFAOYSA-N -1 3 394.395 1.200 20 5 GDBDHM Cc1c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822108298 607321053 /nfs/dbraw/zinc/32/10/53/607321053.db2.gz GXXSDCBENXZZDE-UHFFFAOYSA-N -1 3 391.351 1.916 20 5 GDBDHM Cc1c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822108298 607321054 /nfs/dbraw/zinc/32/10/54/607321054.db2.gz GXXSDCBENXZZDE-UHFFFAOYSA-N -1 3 391.351 1.916 20 5 GDBDHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000736224653 598249207 /nfs/dbraw/zinc/24/92/07/598249207.db2.gz UDVKXIZTFIZEJM-SFHVURJKSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000736224653 598249208 /nfs/dbraw/zinc/24/92/08/598249208.db2.gz UDVKXIZTFIZEJM-SFHVURJKSA-N -1 3 393.363 1.742 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000737117507 598273465 /nfs/dbraw/zinc/27/34/65/598273465.db2.gz XICWPZAJNHLUAM-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000737117507 598273467 /nfs/dbraw/zinc/27/34/67/598273467.db2.gz XICWPZAJNHLUAM-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM Cc1nn(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1[N+](=O)[O-] ZINC000737512800 598298898 /nfs/dbraw/zinc/29/88/98/598298898.db2.gz ADUQRDWEQOOCBR-UHFFFAOYSA-N -1 3 388.363 1.434 20 5 GDBDHM Cc1nn(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1[N+](=O)[O-] ZINC000737512800 598298900 /nfs/dbraw/zinc/29/89/00/598298900.db2.gz ADUQRDWEQOOCBR-UHFFFAOYSA-N -1 3 388.363 1.434 20 5 GDBDHM CS(=O)(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000737172542 598310236 /nfs/dbraw/zinc/31/02/36/598310236.db2.gz CAIINNHSTWUFSO-UHFFFAOYSA-N -1 3 392.372 1.930 20 5 GDBDHM CS(=O)(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000737172542 598310239 /nfs/dbraw/zinc/31/02/39/598310239.db2.gz CAIINNHSTWUFSO-UHFFFAOYSA-N -1 3 392.372 1.930 20 5 GDBDHM CCN1CCN(C2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)C1=O ZINC000736568865 598337442 /nfs/dbraw/zinc/33/74/42/598337442.db2.gz DQPBAOFAHJLEPS-UHFFFAOYSA-N -1 3 386.416 1.501 20 5 GDBDHM CCN1CCN(C2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)C1=O ZINC000736568865 598337444 /nfs/dbraw/zinc/33/74/44/598337444.db2.gz DQPBAOFAHJLEPS-UHFFFAOYSA-N -1 3 386.416 1.501 20 5 GDBDHM Cn1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000737592392 598545952 /nfs/dbraw/zinc/54/59/52/598545952.db2.gz MXYHASGNLKVAMF-UHFFFAOYSA-N -1 3 379.283 1.967 20 5 GDBDHM Cn1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000737592392 598545953 /nfs/dbraw/zinc/54/59/53/598545953.db2.gz MXYHASGNLKVAMF-UHFFFAOYSA-N -1 3 379.283 1.967 20 5 GDBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738369734 598559519 /nfs/dbraw/zinc/55/95/19/598559519.db2.gz NNQDFKIIJPRBJA-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738369734 598559520 /nfs/dbraw/zinc/55/95/20/598559520.db2.gz NNQDFKIIJPRBJA-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM COC(=O)c1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000736942094 598592332 /nfs/dbraw/zinc/59/23/32/598592332.db2.gz YYZFPOBKRSNMLI-UHFFFAOYSA-N -1 3 386.299 1.953 20 5 GDBDHM COC(=O)c1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000736942094 598592333 /nfs/dbraw/zinc/59/23/33/598592333.db2.gz YYZFPOBKRSNMLI-UHFFFAOYSA-N -1 3 386.299 1.953 20 5 GDBDHM O=Cc1ccc(OCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000738312834 598599950 /nfs/dbraw/zinc/59/99/50/598599950.db2.gz FCIIEXOCUIQIFB-UHFFFAOYSA-N -1 3 383.320 1.710 20 5 GDBDHM O=Cc1ccc(OCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000738312834 598599952 /nfs/dbraw/zinc/59/99/52/598599952.db2.gz FCIIEXOCUIQIFB-UHFFFAOYSA-N -1 3 383.320 1.710 20 5 GDBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737924295 598615916 /nfs/dbraw/zinc/61/59/16/598615916.db2.gz ADSHPYUBSHSOTG-UHFFFAOYSA-N -1 3 388.369 1.095 20 5 GDBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737924295 598615918 /nfs/dbraw/zinc/61/59/18/598615918.db2.gz ADSHPYUBSHSOTG-UHFFFAOYSA-N -1 3 388.369 1.095 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](N4CCOCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367955 599299986 /nfs/dbraw/zinc/29/99/86/599299986.db2.gz XRFYYVBQPXROKB-ZDUSSCGKSA-N -1 3 396.411 1.234 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](N4CCOCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367955 599299987 /nfs/dbraw/zinc/29/99/87/599299987.db2.gz XRFYYVBQPXROKB-ZDUSSCGKSA-N -1 3 396.411 1.234 20 5 GDBDHM Nc1n[nH]c(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)c1-c1nnn[n-]1 ZINC000737768912 599363399 /nfs/dbraw/zinc/36/33/99/599363399.db2.gz BAANCLGPYNQGGY-UHFFFAOYSA-N -1 3 381.360 1.068 20 5 GDBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823360352 599553832 /nfs/dbraw/zinc/55/38/32/599553832.db2.gz ZTTDUDGUWJEGPV-ZDUSSCGKSA-N -1 3 395.383 1.888 20 5 GDBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823360352 599553835 /nfs/dbraw/zinc/55/38/35/599553835.db2.gz ZTTDUDGUWJEGPV-ZDUSSCGKSA-N -1 3 395.383 1.888 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000822318918 599602900 /nfs/dbraw/zinc/60/29/00/599602900.db2.gz BSXODAXAQQFBND-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000822318918 599602902 /nfs/dbraw/zinc/60/29/02/599602902.db2.gz BSXODAXAQQFBND-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713436 601904388 /nfs/dbraw/zinc/90/43/88/601904388.db2.gz FJBJBSQJYWKVRO-IINYFYTJSA-N -1 3 388.302 1.327 20 5 GDBDHM Cc1c(CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cccc1[N+](=O)[O-] ZINC000826236179 607661528 /nfs/dbraw/zinc/66/15/28/607661528.db2.gz ATJPUYFRQADFCV-UHFFFAOYSA-N -1 3 382.384 1.249 20 5 GDBDHM Cc1c(CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cccc1[N+](=O)[O-] ZINC000826236179 607661529 /nfs/dbraw/zinc/66/15/29/607661529.db2.gz ATJPUYFRQADFCV-UHFFFAOYSA-N -1 3 382.384 1.249 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nc1 ZINC000826498810 607729051 /nfs/dbraw/zinc/72/90/51/607729051.db2.gz KMPITVAWZAOTIH-SNVBAGLBSA-N -1 3 397.355 1.769 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nc1 ZINC000826498810 607729052 /nfs/dbraw/zinc/72/90/52/607729052.db2.gz KMPITVAWZAOTIH-SNVBAGLBSA-N -1 3 397.355 1.769 20 5 GDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826499650 607741683 /nfs/dbraw/zinc/74/16/83/607741683.db2.gz RBHYTMXMANLPOK-UHFFFAOYSA-N -1 3 392.372 1.534 20 5 GDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826499650 607741684 /nfs/dbraw/zinc/74/16/84/607741684.db2.gz RBHYTMXMANLPOK-UHFFFAOYSA-N -1 3 392.372 1.534 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823648363 606106553 /nfs/dbraw/zinc/10/65/53/606106553.db2.gz VTJDMKTUSULFNH-AWEZNQCLSA-N -1 3 389.416 1.724 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823648363 606106562 /nfs/dbraw/zinc/10/65/62/606106562.db2.gz VTJDMKTUSULFNH-AWEZNQCLSA-N -1 3 389.416 1.724 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822685179 606112483 /nfs/dbraw/zinc/11/24/83/606112483.db2.gz UHHGQCKVQBBEIW-UHFFFAOYSA-N -1 3 396.411 1.512 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822685179 606112485 /nfs/dbraw/zinc/11/24/85/606112485.db2.gz UHHGQCKVQBBEIW-UHFFFAOYSA-N -1 3 396.411 1.512 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648118 606364418 /nfs/dbraw/zinc/36/44/18/606364418.db2.gz BHBDENWFBATUOU-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648118 606364419 /nfs/dbraw/zinc/36/44/19/606364419.db2.gz BHBDENWFBATUOU-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM CC(C)COC[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820102575 606454966 /nfs/dbraw/zinc/45/49/66/606454966.db2.gz BUXBXBYOMFBLCE-GFCCVEGCSA-N -1 3 387.400 1.769 20 5 GDBDHM CC(C)COC[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820102575 606454967 /nfs/dbraw/zinc/45/49/67/606454967.db2.gz BUXBXBYOMFBLCE-GFCCVEGCSA-N -1 3 387.400 1.769 20 5 GDBDHM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914615 606614858 /nfs/dbraw/zinc/61/48/58/606614858.db2.gz QEYDEJPFNIIHMT-OAHLLOKOSA-N -1 3 395.379 1.981 20 5 GDBDHM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914615 606614860 /nfs/dbraw/zinc/61/48/60/606614860.db2.gz QEYDEJPFNIIHMT-OAHLLOKOSA-N -1 3 395.379 1.981 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(CN2CCOCC2)c1 ZINC000823625119 606700897 /nfs/dbraw/zinc/70/08/97/606700897.db2.gz PMUNSPLQHNMBIQ-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(CN2CCOCC2)c1 ZINC000823625119 606700898 /nfs/dbraw/zinc/70/08/98/606700898.db2.gz PMUNSPLQHNMBIQ-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCCO[C@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644714 606801532 /nfs/dbraw/zinc/80/15/32/606801532.db2.gz KRAUJSDNYASJCA-LBPRGKRZSA-N -1 3 385.384 1.931 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCCO[C@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644714 606801534 /nfs/dbraw/zinc/80/15/34/606801534.db2.gz KRAUJSDNYASJCA-LBPRGKRZSA-N -1 3 385.384 1.931 20 5 GDBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000823375645 606807156 /nfs/dbraw/zinc/80/71/56/606807156.db2.gz CUULAAWCHJQUGI-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155451 607039071 /nfs/dbraw/zinc/03/90/71/607039071.db2.gz ZNILBQBJCDOFCX-LBPRGKRZSA-N -1 3 397.395 1.546 20 5 GDBDHM CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155451 607039073 /nfs/dbraw/zinc/03/90/73/607039073.db2.gz ZNILBQBJCDOFCX-LBPRGKRZSA-N -1 3 397.395 1.546 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821727826 607048187 /nfs/dbraw/zinc/04/81/87/607048187.db2.gz OSXWKGPKXUCADW-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821727826 607048188 /nfs/dbraw/zinc/04/81/88/607048188.db2.gz OSXWKGPKXUCADW-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000822655467 607132820 /nfs/dbraw/zinc/13/28/20/607132820.db2.gz KFJGAAIUBOCJQF-AAEUAGOBSA-N -1 3 386.372 1.651 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000822655467 607132822 /nfs/dbraw/zinc/13/28/22/607132822.db2.gz KFJGAAIUBOCJQF-AAEUAGOBSA-N -1 3 386.372 1.651 20 5 GDBDHM Cc1cnc(CN(C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)o1 ZINC000822389340 607174897 /nfs/dbraw/zinc/17/48/97/607174897.db2.gz SOIDRCCBZGYSKX-NSHDSACASA-N -1 3 385.388 1.177 20 5 GDBDHM Cc1cnc(CN(C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)o1 ZINC000822389340 607174898 /nfs/dbraw/zinc/17/48/98/607174898.db2.gz SOIDRCCBZGYSKX-NSHDSACASA-N -1 3 385.388 1.177 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cc(I)c1OCCCO ZINC000826497828 607863127 /nfs/dbraw/zinc/86/31/27/607863127.db2.gz WAPHUVGSRIKYQC-UHFFFAOYSA-N -1 3 391.125 1.141 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cc(I)c1OCCCO ZINC000826497828 607863128 /nfs/dbraw/zinc/86/31/28/607863128.db2.gz WAPHUVGSRIKYQC-UHFFFAOYSA-N -1 3 391.125 1.141 20 5 GDBDHM CN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1ccccc1-c1nnn[n-]1 ZINC000825999201 607866846 /nfs/dbraw/zinc/86/68/46/607866846.db2.gz QJGYBNMAVBFOCH-UHFFFAOYSA-N -1 3 394.351 1.686 20 5 GDBDHM CN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1ccccc1-c1nn[n-]n1 ZINC000825999201 607866847 /nfs/dbraw/zinc/86/68/47/607866847.db2.gz QJGYBNMAVBFOCH-UHFFFAOYSA-N -1 3 394.351 1.686 20 5 GDBDHM CN(CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1[N+](=O)[O-] ZINC000825892354 607955049 /nfs/dbraw/zinc/95/50/49/607955049.db2.gz LEWYDWJDTCXCIN-UHFFFAOYSA-N -1 3 379.380 1.800 20 5 GDBDHM CN(CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1[N+](=O)[O-] ZINC000825892354 607955050 /nfs/dbraw/zinc/95/50/50/607955050.db2.gz LEWYDWJDTCXCIN-UHFFFAOYSA-N -1 3 379.380 1.800 20 5 GDBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000825935254 608035893 /nfs/dbraw/zinc/03/58/93/608035893.db2.gz XORIYZDCQRGYCD-UHFFFAOYSA-N -1 3 375.368 1.284 20 5 GDBDHM CCC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CCOC ZINC000825261425 608303790 /nfs/dbraw/zinc/30/37/90/608303790.db2.gz YWYJNECEGIVSTI-LBPRGKRZSA-N -1 3 376.421 1.107 20 5 GDBDHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826429768 608642740 /nfs/dbraw/zinc/64/27/40/608642740.db2.gz MRSGSHZRODBUPH-UHFFFAOYSA-N -1 3 398.383 1.618 20 5 GDBDHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826429768 608642741 /nfs/dbraw/zinc/64/27/41/608642741.db2.gz MRSGSHZRODBUPH-UHFFFAOYSA-N -1 3 398.383 1.618 20 5 GDBDHM CC1CCC2(CC1)OC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)O2 ZINC000824919694 609173064 /nfs/dbraw/zinc/17/30/64/609173064.db2.gz WVFWLBVIDJTHQR-YWFMTQBDSA-N -1 3 375.389 1.904 20 5 GDBDHM CC1CCC2(CC1)OC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)O2 ZINC000824919694 609173066 /nfs/dbraw/zinc/17/30/66/609173066.db2.gz WVFWLBVIDJTHQR-YWFMTQBDSA-N -1 3 375.389 1.904 20 5 GDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826438680 609227943 /nfs/dbraw/zinc/22/79/43/609227943.db2.gz MOVAZEHXIRTRGP-OAHLLOKOSA-N -1 3 384.352 1.004 20 5 GDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826438680 609227945 /nfs/dbraw/zinc/22/79/45/609227945.db2.gz MOVAZEHXIRTRGP-OAHLLOKOSA-N -1 3 384.352 1.004 20 5 GDBDHM Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826336796 609305941 /nfs/dbraw/zinc/30/59/41/609305941.db2.gz OGQZTDYZOAUONX-UHFFFAOYSA-N -1 3 386.397 1.913 20 5 GDBDHM Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826336796 609305942 /nfs/dbraw/zinc/30/59/42/609305942.db2.gz 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GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)c1 ZINC000742279812 654699369 /nfs/dbraw/zinc/69/93/69/654699369.db2.gz ZQNXOMPOUXRAEX-SECBINFHSA-N -1 3 381.204 1.051 20 5 GDBDHM CC[S@](=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293114 654700490 /nfs/dbraw/zinc/70/04/90/654700490.db2.gz KPSMFQSPKDOLLH-IBGZPJMESA-N -1 3 385.261 1.404 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@]2(O)CCSC2)c1 ZINC000751475627 654894812 /nfs/dbraw/zinc/89/48/12/654894812.db2.gz MHDOBJVOIVQGNK-LLVKDONJSA-N -1 3 397.272 1.504 20 5 GDBDHM O=C(OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000841536492 655340626 /nfs/dbraw/zinc/34/06/26/655340626.db2.gz IGJABJQLTGBBMS-UHFFFAOYSA-N -1 3 393.215 1.589 20 5 GDBDHM CCN(OC)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828173575 655519752 /nfs/dbraw/zinc/51/97/52/655519752.db2.gz AYXNDKFCBZYUBF-UHFFFAOYSA-N -1 3 396.219 1.046 20 5 GDBDHM O=[N+]([O-])c1ccc([C@@H](O)CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826498384 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C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000273495289 532153172 /nfs/dbraw/zinc/15/31/72/532153172.db2.gz HKDNQFHATOUUEK-ZDVLTJLQSA-N -1 3 385.261 1.403 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC2(CCC2(F)F)C1 ZINC000427724502 532188003 /nfs/dbraw/zinc/18/80/03/532188003.db2.gz YXINJGHDFLDPHK-UHFFFAOYSA-N -1 3 375.353 1.131 20 5 GDBDHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287318998 532208128 /nfs/dbraw/zinc/20/81/28/532208128.db2.gz FLPGZTCGDHXJEM-SECBINFHSA-N -1 3 385.167 1.147 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCCS(C)(=O)=O)c1C ZINC000274776162 532232425 /nfs/dbraw/zinc/23/24/25/532232425.db2.gz XXRZHFJZGBGBGR-UHFFFAOYSA-N -1 3 378.472 1.705 20 5 GDBDHM COCCCO[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000287749033 532238210 /nfs/dbraw/zinc/23/82/10/532238210.db2.gz IJEYSQYGBGJDSP-UHFFFAOYSA-N -1 3 380.138 1.897 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000276334019 532327310 /nfs/dbraw/zinc/32/73/10/532327310.db2.gz JBWCQNZCNVZJJY-VIFPVBQESA-N -1 3 385.423 1.920 20 5 GDBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039774 207260857 /nfs/dbraw/zinc/26/08/57/207260857.db2.gz DJJBTMFUZSAMIR-SECBINFHSA-N -1 3 378.248 1.587 20 5 GDBDHM COc1cc(CCNC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000737043142 598857672 /nfs/dbraw/zinc/85/76/72/598857672.db2.gz FQPMMEOZMVZEPH-UHFFFAOYSA-N -1 3 398.379 1.765 20 5 GDBDHM COc1cc(CCNC(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000737043142 598857674 /nfs/dbraw/zinc/85/76/74/598857674.db2.gz FQPMMEOZMVZEPH-UHFFFAOYSA-N -1 3 398.379 1.765 20 5 GDBDHM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000738360327 598936861 /nfs/dbraw/zinc/93/68/61/598936861.db2.gz OMWBCNZFRFBMII-STQMWFEESA-N -1 3 391.775 1.330 20 5 GDBDHM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000738360327 598936865 /nfs/dbraw/zinc/93/68/65/598936865.db2.gz OMWBCNZFRFBMII-STQMWFEESA-N -1 3 391.775 1.330 20 5 GDBDHM Cc1cccc(C)c1NC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822293816 599158796 /nfs/dbraw/zinc/15/87/96/599158796.db2.gz MPYCWOZMFBLGAD-UHFFFAOYSA-N -1 3 382.384 1.862 20 5 GDBDHM Cc1cccc(C)c1NC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822293816 599158798 /nfs/dbraw/zinc/15/87/98/599158798.db2.gz MPYCWOZMFBLGAD-UHFFFAOYSA-N -1 3 382.384 1.862 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737367922 599185800 /nfs/dbraw/zinc/18/58/00/599185800.db2.gz DDIHWHXAOSAFHL-UHFFFAOYSA-N -1 3 394.395 1.441 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737367922 599185804 /nfs/dbraw/zinc/18/58/04/599185804.db2.gz DDIHWHXAOSAFHL-UHFFFAOYSA-N -1 3 394.395 1.441 20 5 GDBDHM CCCc1n[nH]c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736498053 599245039 /nfs/dbraw/zinc/24/50/39/599245039.db2.gz OIRVSHBWXBSWOT-UHFFFAOYSA-N -1 3 386.372 1.259 20 5 GDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823373433 607314554 /nfs/dbraw/zinc/31/45/54/607314554.db2.gz ZTKUYRBLVGKWFV-UHFFFAOYSA-N -1 3 390.157 1.607 20 5 GDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823373433 607314555 /nfs/dbraw/zinc/31/45/55/607314555.db2.gz ZTKUYRBLVGKWFV-UHFFFAOYSA-N -1 3 390.157 1.607 20 5 GDBDHM O=C(NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000738066519 598313693 /nfs/dbraw/zinc/31/36/93/598313693.db2.gz PEEQWKLNFWKGQU-UHFFFAOYSA-N -1 3 383.368 1.713 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)nn1 ZINC000737353979 598335236 /nfs/dbraw/zinc/33/52/36/598335236.db2.gz YYCRBRLZGOKECP-CYBMUJFWSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nn1 ZINC000737353979 598335238 /nfs/dbraw/zinc/33/52/38/598335238.db2.gz YYCRBRLZGOKECP-CYBMUJFWSA-N -1 3 381.400 1.954 20 5 GDBDHM CCOC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736599478 598394192 /nfs/dbraw/zinc/39/41/92/598394192.db2.gz NMRFYTBUFAPSQU-UHFFFAOYSA-N -1 3 375.389 1.832 20 5 GDBDHM CCOC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736599478 598394194 /nfs/dbraw/zinc/39/41/94/598394194.db2.gz NMRFYTBUFAPSQU-UHFFFAOYSA-N -1 3 375.389 1.832 20 5 GDBDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736158774 598480833 /nfs/dbraw/zinc/48/08/33/598480833.db2.gz IXEKWZIIRUBPJU-VIFPVBQESA-N -1 3 383.324 1.354 20 5 GDBDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736158774 598480835 /nfs/dbraw/zinc/48/08/35/598480835.db2.gz IXEKWZIIRUBPJU-VIFPVBQESA-N -1 3 383.324 1.354 20 5 GDBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736159223 598481838 /nfs/dbraw/zinc/48/18/38/598481838.db2.gz LGQFQMQRJPPHGC-SECBINFHSA-N -1 3 383.324 1.354 20 5 GDBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736159223 598481839 /nfs/dbraw/zinc/48/18/39/598481839.db2.gz LGQFQMQRJPPHGC-SECBINFHSA-N -1 3 383.324 1.354 20 5 GDBDHM CS(=O)(=O)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737162469 598500701 /nfs/dbraw/zinc/50/07/01/598500701.db2.gz KUJXMTRFKMJNGS-UHFFFAOYSA-N -1 3 375.370 1.458 20 5 GDBDHM CS(=O)(=O)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737162469 598500702 /nfs/dbraw/zinc/50/07/02/598500702.db2.gz KUJXMTRFKMJNGS-UHFFFAOYSA-N -1 3 375.370 1.458 20 5 GDBDHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737917065 598548135 /nfs/dbraw/zinc/54/81/35/598548135.db2.gz UJOLANVZUCNHDE-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737917065 598548136 /nfs/dbraw/zinc/54/81/36/598548136.db2.gz UJOLANVZUCNHDE-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737903994 598583978 /nfs/dbraw/zinc/58/39/78/598583978.db2.gz GHISSRNEPWGDTC-UHFFFAOYSA-N 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CS(=O)(=O)N(Cc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737165152 598757197 /nfs/dbraw/zinc/75/71/97/598757197.db2.gz GWCJQFQIXQTGEA-UHFFFAOYSA-N -1 3 392.372 1.880 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000738152634 598806675 /nfs/dbraw/zinc/80/66/75/598806675.db2.gz ZNRFYMYRXSVLMG-UHFFFAOYSA-N -1 3 396.367 1.259 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000738152634 598806676 /nfs/dbraw/zinc/80/66/76/598806676.db2.gz ZNRFYMYRXSVLMG-UHFFFAOYSA-N -1 3 396.367 1.259 20 5 GDBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737796888 599294857 /nfs/dbraw/zinc/29/48/57/599294857.db2.gz HMQDEWJYDWEYJG-UTCJRWHESA-N -1 3 384.381 1.729 20 5 GDBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737796888 599294859 /nfs/dbraw/zinc/29/48/59/599294859.db2.gz HMQDEWJYDWEYJG-UTCJRWHESA-N -1 3 384.381 1.729 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4nccn4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367503 599294904 /nfs/dbraw/zinc/29/49/04/599294904.db2.gz STLXGFGHTLBACU-SNVBAGLBSA-N -1 3 377.368 1.947 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4nccn4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367503 599294906 /nfs/dbraw/zinc/29/49/06/599294906.db2.gz STLXGFGHTLBACU-SNVBAGLBSA-N -1 3 377.368 1.947 20 5 GDBDHM C[C@@H](CN1CCOCC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262290 599476399 /nfs/dbraw/zinc/47/63/99/599476399.db2.gz VAAXLAUJZFMYTH-NSHDSACASA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@@H](CN1CCOCC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262290 599476401 /nfs/dbraw/zinc/47/64/01/599476401.db2.gz VAAXLAUJZFMYTH-NSHDSACASA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820642496 599563489 /nfs/dbraw/zinc/56/34/89/599563489.db2.gz IXTSRJFQCZTXKQ-XTCNOXHKSA-N -1 3 387.425 1.669 20 5 GDBDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820642496 599563491 /nfs/dbraw/zinc/56/34/91/599563491.db2.gz IXTSRJFQCZTXKQ-XTCNOXHKSA-N -1 3 387.425 1.669 20 5 GDBDHM NC(=O)[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822860132 599567516 /nfs/dbraw/zinc/56/75/16/599567516.db2.gz NSLRRNZHVHTWNM-UWVGGRQHSA-N -1 3 382.384 1.779 20 5 GDBDHM NC(=O)[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822860132 599567519 /nfs/dbraw/zinc/56/75/19/599567519.db2.gz NSLRRNZHVHTWNM-UWVGGRQHSA-N -1 3 382.384 1.779 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822458030 607401220 /nfs/dbraw/zinc/40/12/20/607401220.db2.gz BXFHBUVNOAWRIM-UHFFFAOYSA-N -1 3 386.372 1.706 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822458030 607401221 /nfs/dbraw/zinc/40/12/21/607401221.db2.gz BXFHBUVNOAWRIM-UHFFFAOYSA-N -1 3 386.372 1.706 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826418165 607419595 /nfs/dbraw/zinc/41/95/95/607419595.db2.gz 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O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000738366932 598872991 /nfs/dbraw/zinc/87/29/91/598872991.db2.gz KXGPJFQLKFUNPJ-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM COC(=O)[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892636 598878397 /nfs/dbraw/zinc/87/83/97/598878397.db2.gz AYYWOVUARBYRED-INIZCTEOSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892636 598878398 /nfs/dbraw/zinc/87/83/98/598878398.db2.gz AYYWOVUARBYRED-INIZCTEOSA-N -1 3 397.395 1.691 20 5 GDBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000820667722 599098244 /nfs/dbraw/zinc/09/82/44/599098244.db2.gz NRSKMAJNWPDDSD-NOZJJQNGSA-N -1 3 383.372 1.114 20 5 GDBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000820667722 599098247 /nfs/dbraw/zinc/09/82/47/599098247.db2.gz NRSKMAJNWPDDSD-NOZJJQNGSA-N -1 3 383.372 1.114 20 5 GDBDHM 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O=C(COc1ccccc1-c1nn[n-]n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826419441 608002636 /nfs/dbraw/zinc/00/26/36/608002636.db2.gz YDPQEBOPNCAODT-UHFFFAOYSA-N -1 3 380.324 1.669 20 5 GDBDHM CCCN(CC(=O)N(C)C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825307670 608371142 /nfs/dbraw/zinc/37/11/42/608371142.db2.gz KTZMKXHOWPRHNY-UHFFFAOYSA-N -1 3 384.400 1.628 20 5 GDBDHM CCCN(CC(=O)N(C)C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825307670 608371143 /nfs/dbraw/zinc/37/11/43/608371143.db2.gz KTZMKXHOWPRHNY-UHFFFAOYSA-N -1 3 384.400 1.628 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500519 608408759 /nfs/dbraw/zinc/40/87/59/608408759.db2.gz ATVSNPZSTQIZDW-SNVBAGLBSA-N -1 3 382.388 1.480 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500519 608408760 /nfs/dbraw/zinc/40/87/60/608408760.db2.gz ATVSNPZSTQIZDW-SNVBAGLBSA-N -1 3 382.388 1.480 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824640269 608426202 /nfs/dbraw/zinc/42/62/02/608426202.db2.gz FJDJIZKNCCNWOP-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824640269 608426203 /nfs/dbraw/zinc/42/62/03/608426203.db2.gz FJDJIZKNCCNWOP-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM Cc1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000826287780 608836369 /nfs/dbraw/zinc/83/63/69/608836369.db2.gz CUBFAAYENWUTEC-CYBMUJFWSA-N -1 3 395.427 1.584 20 5 GDBDHM Cc1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000826287780 608836371 /nfs/dbraw/zinc/83/63/71/608836371.db2.gz CUBFAAYENWUTEC-CYBMUJFWSA-N -1 3 395.427 1.584 20 5 GDBDHM Nc1n[nH]c(CCCNc2ncnc3cccc([N+](=O)[O-])c32)c1-c1nnn[n-]1 ZINC000826395139 609212763 /nfs/dbraw/zinc/21/27/63/609212763.db2.gz OJWXGTZNLXJWTJ-UHFFFAOYSA-N -1 3 381.360 1.068 20 5 GDBDHM 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ZINC000826500568 609535476 /nfs/dbraw/zinc/53/54/76/609535476.db2.gz CCPBLWSTPKHGFY-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM Cc1noc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000158145154 644833811 /nfs/dbraw/zinc/83/38/11/644833811.db2.gz PYMSCWNBTPJJTQ-UHFFFAOYSA-N -1 3 391.203 1.570 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000589922701 652119914 /nfs/dbraw/zinc/11/99/14/652119914.db2.gz NABHDNVTOJGSNG-PRHODGIISA-N -1 3 384.332 1.728 20 5 GDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000594777583 652361098 /nfs/dbraw/zinc/36/10/98/652361098.db2.gz YIALMAAUUULGSX-NOZJJQNGSA-N -1 3 375.353 1.826 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(Br)c1 ZINC000594801459 652367500 /nfs/dbraw/zinc/36/75/00/652367500.db2.gz OUALKFZVQOATNQ-NSHDSACASA-N -1 3 379.232 1.797 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000599392015 652488905 /nfs/dbraw/zinc/48/89/05/652488905.db2.gz OVOIKYIDNMTDHU-WDEREUQCSA-N -1 3 384.332 1.432 20 5 GDBDHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000599456320 652500370 /nfs/dbraw/zinc/50/03/70/652500370.db2.gz KNBQENMYYNACMS-WDEREUQCSA-N -1 3 392.455 1.601 20 5 GDBDHM CCOC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751253401 654879489 /nfs/dbraw/zinc/87/94/89/654879489.db2.gz WZWUEFDACCIYBT-UHFFFAOYSA-N -1 3 381.204 1.589 20 5 GDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](OC)C(F)(F)F ZINC000784322527 654882956 /nfs/dbraw/zinc/88/29/56/654882956.db2.gz YTUPOMQAFHRQES-JTQLQIEISA-N -1 3 386.304 1.237 20 5 GDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl)OCCO2 ZINC000728293048 654886786 /nfs/dbraw/zinc/88/67/86/654886786.db2.gz WFBFTNRYJLMYDA-SSDOTTSWSA-N -1 3 383.209 1.838 20 5 GDBDHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000829957586 654921285 /nfs/dbraw/zinc/92/12/85/654921285.db2.gz ROQCBIWBVHYQSF-UHFFFAOYSA-N 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CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000859413587 655782362 /nfs/dbraw/zinc/78/23/62/655782362.db2.gz NSMMRTXEAXXNLM-SSDOTTSWSA-N -1 3 396.219 1.044 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCCN3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738366129 945263266 /nfs/dbraw/zinc/26/32/66/945263266.db2.gz DNKCVRPPWQAQPU-UHFFFAOYSA-N -1 3 384.400 1.457 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCCN3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000738366129 945263270 /nfs/dbraw/zinc/26/32/70/945263270.db2.gz DNKCVRPPWQAQPU-UHFFFAOYSA-N -1 3 384.400 1.457 20 5 GDBDHM CCN(CC)C(=O)CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736523831 944838457 /nfs/dbraw/zinc/83/84/57/944838457.db2.gz RNZREKNATYLERR-UHFFFAOYSA-N -1 3 384.400 1.628 20 5 GDBDHM CCN(CC)C(=O)CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736523831 944838465 /nfs/dbraw/zinc/83/84/65/944838465.db2.gz RNZREKNATYLERR-UHFFFAOYSA-N -1 3 384.400 1.628 20 5 GDBDHM CN(C)C(=O)C1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 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3 385.423 1.445 20 5 GDBDHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000057281854 530725748 /nfs/dbraw/zinc/72/57/48/530725748.db2.gz XEFJVNCYMVHSEA-QMMMGPOBSA-N -1 3 397.185 1.085 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000180652043 530770021 /nfs/dbraw/zinc/77/00/21/530770021.db2.gz PLCLRLLZKBGABZ-JTQLQIEISA-N -1 3 387.845 1.846 20 5 GDBDHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108400116 530857604 /nfs/dbraw/zinc/85/76/04/530857604.db2.gz OHAWYLPPIRMMCG-LLVKDONJSA-N -1 3 377.850 1.637 20 5 GDBDHM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000186706483 530859989 /nfs/dbraw/zinc/85/99/89/530859989.db2.gz IMGWJJRWFYSEMC-UHFFFAOYSA-N -1 3 380.220 1.290 20 5 GDBDHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000120452434 530940233 /nfs/dbraw/zinc/94/02/33/530940233.db2.gz NZMRCMUXPZGHQA-UHFFFAOYSA-N -1 3 377.850 1.997 20 5 GDBDHM 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O=[N+]([O-])c1cccc(CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826499681 607974643 /nfs/dbraw/zinc/97/46/43/607974643.db2.gz SDOCUQXQWFUTSX-UHFFFAOYSA-N -1 3 388.409 1.437 20 5 GDBDHM O=[N+]([O-])c1cccc(CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826499681 607974644 /nfs/dbraw/zinc/97/46/44/607974644.db2.gz SDOCUQXQWFUTSX-UHFFFAOYSA-N -1 3 388.409 1.437 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826174617 608008598 /nfs/dbraw/zinc/00/85/98/608008598.db2.gz DAOZZSOJNOLKGB-UHFFFAOYSA-N -1 3 398.379 1.521 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826174617 608008599 /nfs/dbraw/zinc/00/85/99/608008599.db2.gz DAOZZSOJNOLKGB-UHFFFAOYSA-N -1 3 398.379 1.521 20 5 GDBDHM CC(=CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000823943135 608146068 /nfs/dbraw/zinc/14/60/68/608146068.db2.gz OITSOVJXPSCLRC-ZRDIBKRKSA-N -1 3 394.395 1.802 20 5 GDBDHM CC(=CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000823943135 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ZINC000823648365 606106219 /nfs/dbraw/zinc/10/62/19/606106219.db2.gz VTJDMKTUSULFNH-CQSZACIVSA-N -1 3 389.416 1.724 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(OC[C@H]3CCCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823648365 606106220 /nfs/dbraw/zinc/10/62/20/606106220.db2.gz VTJDMKTUSULFNH-CQSZACIVSA-N -1 3 389.416 1.724 20 5 GDBDHM NC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822885682 606423150 /nfs/dbraw/zinc/42/31/50/606423150.db2.gz SHDINTZFTGBNDD-UHFFFAOYSA-N -1 3 380.324 1.627 20 5 GDBDHM NC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822885682 606423151 /nfs/dbraw/zinc/42/31/51/606423151.db2.gz SHDINTZFTGBNDD-UHFFFAOYSA-N -1 3 380.324 1.627 20 5 GDBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000823472437 606493565 /nfs/dbraw/zinc/49/35/65/606493565.db2.gz MJFMAUGLWUKEKR-UHFFFAOYSA-N -1 3 386.397 1.194 20 5 GDBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000823472437 606493567 /nfs/dbraw/zinc/49/35/67/606493567.db2.gz MJFMAUGLWUKEKR-UHFFFAOYSA-N -1 3 386.397 1.194 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(CCN2CCOCC2)CC1 ZINC000823620015 606705346 /nfs/dbraw/zinc/70/53/46/606705346.db2.gz GLQPGTVGJYOYCL-UHFFFAOYSA-N -1 3 388.432 1.109 20 5 GDBDHM COC(=O)[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000821656981 606729648 /nfs/dbraw/zinc/72/96/48/606729648.db2.gz DQZFWUSTUGLIGS-NOZJJQNGSA-N -1 3 383.368 1.568 20 5 GDBDHM COC(=O)[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000821656981 606729649 /nfs/dbraw/zinc/72/96/49/606729649.db2.gz DQZFWUSTUGLIGS-NOZJJQNGSA-N -1 3 383.368 1.568 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823118768 606779505 /nfs/dbraw/zinc/77/95/05/606779505.db2.gz PVQXXHWMEXSUHC-UHFFFAOYSA-N -1 3 375.732 1.229 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823118768 606779506 /nfs/dbraw/zinc/77/95/06/606779506.db2.gz PVQXXHWMEXSUHC-UHFFFAOYSA-N -1 3 375.732 1.229 20 5 GDBDHM CN(Cc1nc(-c2cccnc2)no1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616983 606798930 /nfs/dbraw/zinc/79/89/30/606798930.db2.gz QVYJPBXZQAPZLG-UHFFFAOYSA-N -1 3 380.328 1.251 20 5 GDBDHM CN(Cc1nc(-c2cccnc2)no1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616983 606798932 /nfs/dbraw/zinc/79/89/32/606798932.db2.gz QVYJPBXZQAPZLG-UHFFFAOYSA-N -1 3 380.328 1.251 20 5 GDBDHM O=c1c(Br)cn(Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000823656760 606870869 /nfs/dbraw/zinc/87/08/69/606870869.db2.gz HAQKCJYROYELPF-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cn(Cc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000823656760 606870870 /nfs/dbraw/zinc/87/08/70/606870870.db2.gz HAQKCJYROYELPF-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000823651141 607175778 /nfs/dbraw/zinc/17/57/78/607175778.db2.gz GVWOVYUGVUZHLF-UHFFFAOYSA-N -1 3 385.775 1.707 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000823651141 607175779 /nfs/dbraw/zinc/17/57/79/607175779.db2.gz GVWOVYUGVUZHLF-UHFFFAOYSA-N -1 3 385.775 1.707 20 5 GDBDHM COC(=O)CCN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821661404 607225669 /nfs/dbraw/zinc/22/56/69/607225669.db2.gz HSNKUWLYRRJKDW-GFCCVEGCSA-N -1 3 376.373 1.323 20 5 GDBDHM COC(=O)CCN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821661404 607225670 /nfs/dbraw/zinc/22/56/70/607225670.db2.gz HSNKUWLYRRJKDW-GFCCVEGCSA-N -1 3 376.373 1.323 20 5 GDBDHM CN(C[C@@H]1CCCN1c1cccnn1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825909105 607841978 /nfs/dbraw/zinc/84/19/78/607841978.db2.gz ROLIGRLBRWSXME-ZDUSSCGKSA-N -1 3 381.400 1.670 20 5 GDBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826292178 607866854 /nfs/dbraw/zinc/86/68/54/607866854.db2.gz KYGVWFOBKIWNPG-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826292178 607866855 /nfs/dbraw/zinc/86/68/55/607866855.db2.gz KYGVWFOBKIWNPG-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826167370 607871876 /nfs/dbraw/zinc/87/18/76/607871876.db2.gz ADJBVLLPTCONGI-SNVBAGLBSA-N -1 3 395.763 1.073 20 5 GDBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826167370 607871877 /nfs/dbraw/zinc/87/18/77/607871877.db2.gz ADJBVLLPTCONGI-SNVBAGLBSA-N -1 3 395.763 1.073 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826174613 607872077 /nfs/dbraw/zinc/87/20/77/607872077.db2.gz CYVSWKQZWJDQSQ-CYBMUJFWSA-N -1 3 387.352 1.602 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826174613 607872078 /nfs/dbraw/zinc/87/20/78/607872078.db2.gz CYVSWKQZWJDQSQ-CYBMUJFWSA-N -1 3 387.352 1.602 20 5 GDBDHM Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826292982 607933674 /nfs/dbraw/zinc/93/36/74/607933674.db2.gz WCCDQSWAYRFCLC-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826292982 607933675 /nfs/dbraw/zinc/93/36/75/607933675.db2.gz WCCDQSWAYRFCLC-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1nn(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(C)c1[N+](=O)[O-] ZINC000826334911 608054801 /nfs/dbraw/zinc/05/48/01/608054801.db2.gz OYZKHDSXGGLOGV-HNNXBMFYSA-N -1 3 384.400 1.619 20 5 GDBDHM Cc1nn(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(C)c1[N+](=O)[O-] ZINC000826334911 608054802 /nfs/dbraw/zinc/05/48/02/608054802.db2.gz OYZKHDSXGGLOGV-HNNXBMFYSA-N -1 3 384.400 1.619 20 5 GDBDHM Cn1c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1[N+](=O)[O-] ZINC000826354961 608163566 /nfs/dbraw/zinc/16/35/66/608163566.db2.gz DCPPAHJTZJNGHC-UHFFFAOYSA-N -1 3 392.719 1.927 20 5 GDBDHM Cn1c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1[N+](=O)[O-] ZINC000826354961 608163568 /nfs/dbraw/zinc/16/35/68/608163568.db2.gz DCPPAHJTZJNGHC-UHFFFAOYSA-N -1 3 392.719 1.927 20 5 GDBDHM CC[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000825133025 608226127 /nfs/dbraw/zinc/22/61/27/608226127.db2.gz HJTGKVHWKANUHW-AWEZNQCLSA-N -1 3 382.384 1.849 20 5 GDBDHM CC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000825133025 608226129 /nfs/dbraw/zinc/22/61/29/608226129.db2.gz HJTGKVHWKANUHW-AWEZNQCLSA-N -1 3 382.384 1.849 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824469930 608471025 /nfs/dbraw/zinc/47/10/25/608471025.db2.gz DMIWIFXIRJRDNZ-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824469930 608471028 /nfs/dbraw/zinc/47/10/28/608471028.db2.gz DMIWIFXIRJRDNZ-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471471 608471330 /nfs/dbraw/zinc/47/13/30/608471330.db2.gz QTQZTMXWNHOXFK-JTQLQIEISA-N -1 3 381.352 1.591 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471471 608471331 /nfs/dbraw/zinc/47/13/31/608471331.db2.gz QTQZTMXWNHOXFK-JTQLQIEISA-N -1 3 381.352 1.591 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826424536 608485426 /nfs/dbraw/zinc/48/54/26/608485426.db2.gz QTPVJSRGMYCEEI-UHFFFAOYSA-N -1 3 380.368 1.287 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826424536 608485427 /nfs/dbraw/zinc/48/54/27/608485427.db2.gz QTPVJSRGMYCEEI-UHFFFAOYSA-N -1 3 380.368 1.287 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826474071 608775531 /nfs/dbraw/zinc/77/55/31/608775531.db2.gz ZFKFGYMJELOAEJ-UHFFFAOYSA-N -1 3 386.397 1.194 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826474071 608775532 /nfs/dbraw/zinc/77/55/32/608775532.db2.gz ZFKFGYMJELOAEJ-UHFFFAOYSA-N -1 3 386.397 1.194 20 5 GDBDHM Cc1cccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826296221 609283538 /nfs/dbraw/zinc/28/35/38/609283538.db2.gz NRRYUKVHCBPQIR-UHFFFAOYSA-N -1 3 388.365 1.940 20 5 GDBDHM Cc1cccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826296221 609283539 /nfs/dbraw/zinc/28/35/39/609283539.db2.gz NRRYUKVHCBPQIR-UHFFFAOYSA-N -1 3 388.365 1.940 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826117841 609349725 /nfs/dbraw/zinc/34/97/25/609349725.db2.gz SXGQOINRDPCMEN-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826117841 609349727 /nfs/dbraw/zinc/34/97/27/609349727.db2.gz SXGQOINRDPCMEN-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826396343 609350880 /nfs/dbraw/zinc/35/08/80/609350880.db2.gz SVMHYWOPWLVIHQ-UHFFFAOYSA-N -1 3 389.353 1.214 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826396343 609350883 /nfs/dbraw/zinc/35/08/83/609350883.db2.gz SVMHYWOPWLVIHQ-UHFFFAOYSA-N -1 3 389.353 1.214 20 5 GDBDHM CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812244 609390820 /nfs/dbraw/zinc/39/08/20/609390820.db2.gz JCSXGEFXGDSMKL-MRXNPFEDSA-N -1 3 393.363 1.931 20 5 GDBDHM CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812244 609390823 /nfs/dbraw/zinc/39/08/23/609390823.db2.gz JCSXGEFXGDSMKL-MRXNPFEDSA-N -1 3 393.363 1.931 20 5 GDBDHM COc1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1-c1nnn[n-]1 ZINC000826200724 609452506 /nfs/dbraw/zinc/45/25/06/609452506.db2.gz GBXIPPVPGSSNLB-UHFFFAOYSA-N -1 3 398.335 1.442 20 5 GDBDHM COc1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1-c1nn[n-]n1 ZINC000826200724 609452507 /nfs/dbraw/zinc/45/25/07/609452507.db2.gz GBXIPPVPGSSNLB-UHFFFAOYSA-N -1 3 398.335 1.442 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826498664 609455878 /nfs/dbraw/zinc/45/58/78/609455878.db2.gz DWQCMOUBOPXYIR-UHFFFAOYSA-N -1 3 391.395 1.749 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826498664 609455882 /nfs/dbraw/zinc/45/58/82/609455882.db2.gz DWQCMOUBOPXYIR-UHFFFAOYSA-N -1 3 391.395 1.749 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000535146132 650243150 /nfs/dbraw/zinc/24/31/50/650243150.db2.gz CDWVJLPRPHRIQW-UHFFFAOYSA-N -1 3 382.847 1.351 20 5 GDBDHM C[C@]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000443009439 647169522 /nfs/dbraw/zinc/16/95/22/647169522.db2.gz YYIJASMSTJDMHT-OAHLLOKOSA-N -1 3 383.813 1.927 20 5 GDBDHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000462680918 647539247 /nfs/dbraw/zinc/53/92/47/647539247.db2.gz AMYJLXIKCZWFME-QMMMGPOBSA-N -1 3 386.304 1.376 20 5 GDBDHM CS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000499701027 648089370 /nfs/dbraw/zinc/08/93/70/648089370.db2.gz 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Cn1cc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000742278676 654699165 /nfs/dbraw/zinc/69/91/65/654699165.db2.gz AOHHILJGWFMNKH-UHFFFAOYSA-N -1 3 389.231 1.612 20 5 GDBDHM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788712002 655004701 /nfs/dbraw/zinc/00/47/01/655004701.db2.gz SEIWZSKQRBWRGK-UFBFGSQYSA-N -1 3 395.231 1.176 20 5 GDBDHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832620316 655041434 /nfs/dbraw/zinc/04/14/34/655041434.db2.gz GOSVLHRPGICFBL-GHMZBOCLSA-N -1 3 395.231 1.440 20 5 GDBDHM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000805866625 655047093 /nfs/dbraw/zinc/04/70/93/655047093.db2.gz XYSCTAYIQMRIDJ-UHFFFAOYSA-N -1 3 387.845 1.928 20 5 GDBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)NC ZINC000832745820 655050842 /nfs/dbraw/zinc/05/08/42/655050842.db2.gz MRUBQSGBRXPKKQ-VIFPVBQESA-N -1 3 380.220 1.160 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000809827562 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Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826362736 608089035 /nfs/dbraw/zinc/08/90/35/608089035.db2.gz HAPFATLMVQBURF-OAHLLOKOSA-N -1 3 383.368 1.327 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826362736 608089036 /nfs/dbraw/zinc/08/90/36/608089036.db2.gz HAPFATLMVQBURF-OAHLLOKOSA-N -1 3 383.368 1.327 20 5 GDBDHM CC(C)S(=O)(=O)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824338168 608159257 /nfs/dbraw/zinc/15/92/57/608159257.db2.gz RESUEPPTUZZGMK-UHFFFAOYSA-N -1 3 388.793 1.190 20 5 GDBDHM CC(C)S(=O)(=O)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824338168 608159259 /nfs/dbraw/zinc/15/92/59/608159259.db2.gz RESUEPPTUZZGMK-UHFFFAOYSA-N -1 3 388.793 1.190 20 5 GDBDHM CC(=O)N1CC[C@](C)(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973889 608162170 /nfs/dbraw/zinc/16/21/70/608162170.db2.gz LXVPODFNHHTABC-HNNXBMFYSA-N -1 3 393.791 1.625 20 5 GDBDHM CC(=O)N1CC[C@](C)(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000823973889 608162172 /nfs/dbraw/zinc/16/21/72/608162172.db2.gz LXVPODFNHHTABC-HNNXBMFYSA-N -1 3 393.791 1.625 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826424324 608165122 /nfs/dbraw/zinc/16/51/22/608165122.db2.gz GWACJXCLQRXLRA-UHFFFAOYSA-N -1 3 393.707 1.172 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826424324 608165124 /nfs/dbraw/zinc/16/51/24/608165124.db2.gz GWACJXCLQRXLRA-UHFFFAOYSA-N -1 3 393.707 1.172 20 5 GDBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000825793303 608174560 /nfs/dbraw/zinc/17/45/60/608174560.db2.gz PSERETAWAQGTDQ-UHFFFAOYSA-N -1 3 381.356 1.735 20 5 GDBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000825793303 608174562 /nfs/dbraw/zinc/17/45/62/608174562.db2.gz PSERETAWAQGTDQ-UHFFFAOYSA-N -1 3 381.356 1.735 20 5 GDBDHM 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O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000826466589 608437207 /nfs/dbraw/zinc/43/72/07/608437207.db2.gz KRTQUJQMAHFNRN-UHFFFAOYSA-N -1 3 387.283 2.000 20 5 GDBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826395689 608457483 /nfs/dbraw/zinc/45/74/83/608457483.db2.gz PEOXRJRBZBRWAQ-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826395689 608457484 /nfs/dbraw/zinc/45/74/84/608457484.db2.gz PEOXRJRBZBRWAQ-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826327651 608572264 /nfs/dbraw/zinc/57/22/64/608572264.db2.gz PGFUBLPNOZZAQD-UHFFFAOYSA-N -1 3 397.399 1.582 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826327651 608572266 /nfs/dbraw/zinc/57/22/66/608572266.db2.gz PGFUBLPNOZZAQD-UHFFFAOYSA-N -1 3 397.399 1.582 20 5 GDBDHM COc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826196040 609207745 /nfs/dbraw/zinc/20/77/45/609207745.db2.gz OOWVIIAPKPQCIB-OAHLLOKOSA-N -1 3 384.352 1.133 20 5 GDBDHM COc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826196040 609207747 /nfs/dbraw/zinc/20/77/47/609207747.db2.gz OOWVIIAPKPQCIB-OAHLLOKOSA-N -1 3 384.352 1.133 20 5 GDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436537 609236196 /nfs/dbraw/zinc/23/61/96/609236196.db2.gz XLBJSJNHEASHDP-KRWDZBQOSA-N -1 3 396.407 1.947 20 5 GDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436537 609236197 /nfs/dbraw/zinc/23/61/97/609236197.db2.gz XLBJSJNHEASHDP-KRWDZBQOSA-N -1 3 396.407 1.947 20 5 GDBDHM O=c1ccn(Cc2ccc(-c3nnn[n-]3)cc2Br)cc1[N+](=O)[O-] ZINC000826502169 609312068 /nfs/dbraw/zinc/31/20/68/609312068.db2.gz XJCQSHNESCRWLC-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=c1ccn(Cc2ccc(-c3nn[n-]n3)cc2Br)cc1[N+](=O)[O-] ZINC000826502169 609312070 /nfs/dbraw/zinc/31/20/70/609312070.db2.gz XJCQSHNESCRWLC-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826459176 609356904 /nfs/dbraw/zinc/35/69/04/609356904.db2.gz YKLUOVSPEPEZIP-HNNXBMFYSA-N -1 3 396.367 1.197 20 5 GDBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826459176 609356907 /nfs/dbraw/zinc/35/69/07/609356907.db2.gz YKLUOVSPEPEZIP-HNNXBMFYSA-N -1 3 396.367 1.197 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826396064 609469246 /nfs/dbraw/zinc/46/92/46/609469246.db2.gz FHNALYVYROORDZ-OAHLLOKOSA-N -1 3 395.379 1.571 20 5 GDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826396064 609469248 /nfs/dbraw/zinc/46/92/48/609469248.db2.gz FHNALYVYROORDZ-OAHLLOKOSA-N -1 3 395.379 1.571 20 5 GDBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000552618115 650629855 /nfs/dbraw/zinc/62/98/55/650629855.db2.gz RYKCYGFXRCSSFE-SNVBAGLBSA-N -1 3 395.231 1.977 20 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ZINC000769751842 654481190 /nfs/dbraw/zinc/48/11/90/654481190.db2.gz ZYCDCALDPAYTKX-GZMMTYOYSA-N -1 3 379.232 1.797 20 5 GDBDHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000742298652 654701074 /nfs/dbraw/zinc/70/10/74/654701074.db2.gz OAXPKALVRQHKQO-UHFFFAOYSA-N -1 3 375.378 1.632 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000777948076 654726648 /nfs/dbraw/zinc/72/66/48/654726648.db2.gz PJGPDROLIDQUCO-VIFPVBQESA-N -1 3 376.284 1.598 20 5 GDBDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000748147613 654800564 /nfs/dbraw/zinc/80/05/64/654800564.db2.gz DUWKPKUICVBNBG-UHFFFAOYSA-N -1 3 378.378 1.122 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c(Br)c1 ZINC000751442903 654891507 /nfs/dbraw/zinc/89/15/07/654891507.db2.gz NXFIUNPEGYDUTK-NSHDSACASA-N -1 3 379.232 1.797 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H](CO)CC(F)F)c1 ZINC000758235484 655054635 /nfs/dbraw/zinc/05/46/35/655054635.db2.gz QYWMGXBETNHFNB-LURJTMIESA-N -1 3 389.174 1.652 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000809827564 655139260 /nfs/dbraw/zinc/13/92/60/655139260.db2.gz OXTHYHPCSOQLGE-UFBFGSQYSA-N -1 3 398.268 1.899 20 5 GDBDHM NC(=O)CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000762387504 655163763 /nfs/dbraw/zinc/16/37/63/655163763.db2.gz WAGSKGGLKQHOFA-UHFFFAOYSA-N -1 3 392.231 1.434 20 5 GDBDHM CCn1ncnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000795301557 655170226 /nfs/dbraw/zinc/17/02/26/655170226.db2.gz OUBLEKILIRUXDU-UHFFFAOYSA-N -1 3 390.219 1.447 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCc1nc[nH]n1 ZINC000795878197 655193068 /nfs/dbraw/zinc/19/30/68/655193068.db2.gz QHCJVEAUDWGJKS-UHFFFAOYSA-N -1 3 394.182 1.136 20 5 GDBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000815019424 655278800 /nfs/dbraw/zinc/27/88/00/655278800.db2.gz HKVTVELMSIOGJB-JTQLQIEISA-N -1 3 394.856 1.302 20 5 GDBDHM 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O=C(CCc1cccc([N+](=O)[O-])c1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822982802 606682707 /nfs/dbraw/zinc/68/27/07/606682707.db2.gz IVDCULWYZLAGQT-UHFFFAOYSA-N -1 3 382.380 1.903 20 5 GDBDHM NC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000822851175 606771106 /nfs/dbraw/zinc/77/11/06/606771106.db2.gz VHBYKTKXUOEWFM-AWEZNQCLSA-N -1 3 387.787 1.745 20 5 GDBDHM NC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851175 606771107 /nfs/dbraw/zinc/77/11/07/606771107.db2.gz VHBYKTKXUOEWFM-AWEZNQCLSA-N -1 3 387.787 1.745 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823488137 606778163 /nfs/dbraw/zinc/77/81/63/606778163.db2.gz JUFSRZDJABEDBW-UHFFFAOYSA-N -1 3 394.395 1.128 20 5 GDBDHM O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000823634184 606853336 /nfs/dbraw/zinc/85/33/36/606853336.db2.gz BZQCGKFFICNDQN-HNNXBMFYSA-N -1 3 378.352 1.767 20 5 GDBDHM O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000823634184 606853338 /nfs/dbraw/zinc/85/33/38/606853338.db2.gz BZQCGKFFICNDQN-HNNXBMFYSA-N -1 3 378.352 1.767 20 5 GDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822986375 606948989 /nfs/dbraw/zinc/94/89/89/606948989.db2.gz FPUZOUFFLDWUIP-UHFFFAOYSA-N -1 3 387.356 1.374 20 5 GDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822986375 606948990 /nfs/dbraw/zinc/94/89/90/606948990.db2.gz FPUZOUFFLDWUIP-UHFFFAOYSA-N -1 3 387.356 1.374 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCO[C@]3(CCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826500533 607811281 /nfs/dbraw/zinc/81/12/81/607811281.db2.gz BGXMTTKKSCQEOJ-GOSISDBHSA-N -1 3 379.380 1.848 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCO[C@]3(CCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000826500533 607811282 /nfs/dbraw/zinc/81/12/82/607811282.db2.gz BGXMTTKKSCQEOJ-GOSISDBHSA-N -1 3 379.380 1.848 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826500491 607817424 /nfs/dbraw/zinc/81/74/24/607817424.db2.gz ZXDAZFFWEMKPQU-UHFFFAOYSA-N -1 3 386.393 1.916 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826500491 607817425 /nfs/dbraw/zinc/81/74/25/607817425.db2.gz ZXDAZFFWEMKPQU-UHFFFAOYSA-N -1 3 386.393 1.916 20 5 GDBDHM CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823980672 608159237 /nfs/dbraw/zinc/15/92/37/608159237.db2.gz GHIRNFDPJQXNPZ-NSHDSACASA-N -1 3 393.791 1.768 20 5 GDBDHM CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823980672 608159239 /nfs/dbraw/zinc/15/92/39/608159239.db2.gz GHIRNFDPJQXNPZ-NSHDSACASA-N -1 3 393.791 1.768 20 5 GDBDHM O=C(CCn1ccccc1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409909 608161471 /nfs/dbraw/zinc/16/14/71/608161471.db2.gz TYKHNSAUOQXVGI-UHFFFAOYSA-N -1 3 389.759 1.619 20 5 GDBDHM O=C(CCn1ccccc1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409909 608161472 /nfs/dbraw/zinc/16/14/72/608161472.db2.gz TYKHNSAUOQXVGI-UHFFFAOYSA-N -1 3 389.759 1.619 20 5 GDBDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824727509 608162888 /nfs/dbraw/zinc/16/28/88/608162888.db2.gz ADWFJAZGVSAOKV-SCZZXKLOSA-N -1 3 396.791 1.951 20 5 GDBDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824727509 608162890 /nfs/dbraw/zinc/16/28/90/608162890.db2.gz ADWFJAZGVSAOKV-SCZZXKLOSA-N -1 3 396.791 1.951 20 5 GDBDHM CC[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000825133026 608225789 /nfs/dbraw/zinc/22/57/89/608225789.db2.gz HJTGKVHWKANUHW-CQSZACIVSA-N -1 3 382.384 1.849 20 5 GDBDHM CC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000825133026 608225791 /nfs/dbraw/zinc/22/57/91/608225791.db2.gz HJTGKVHWKANUHW-CQSZACIVSA-N -1 3 382.384 1.849 20 5 GDBDHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826396849 609258525 /nfs/dbraw/zinc/25/85/25/609258525.db2.gz MKSHQZGHEIURMY-QGZVFWFLSA-N -1 3 394.391 2.000 20 5 GDBDHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826396849 609258526 /nfs/dbraw/zinc/25/85/26/609258526.db2.gz MKSHQZGHEIURMY-QGZVFWFLSA-N -1 3 394.391 2.000 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826272962 609261404 /nfs/dbraw/zinc/26/14/04/609261404.db2.gz JAUCYATUOKUUIM-INIZCTEOSA-N -1 3 380.364 1.706 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826272962 609261406 /nfs/dbraw/zinc/26/14/06/609261406.db2.gz JAUCYATUOKUUIM-INIZCTEOSA-N -1 3 380.364 1.706 20 5 GDBDHM Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2sccc2-c2nnn[n-]2)n1 ZINC000826263531 609434824 /nfs/dbraw/zinc/43/48/24/609434824.db2.gz GFFAXPNYIUAHPV-UHFFFAOYSA-N -1 3 375.370 1.866 20 5 GDBDHM Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2sccc2-c2nn[n-]n2)n1 ZINC000826263531 609434828 /nfs/dbraw/zinc/43/48/28/609434828.db2.gz GFFAXPNYIUAHPV-UHFFFAOYSA-N -1 3 375.370 1.866 20 5 GDBDHM COc1cc(COC(=O)CNc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179974 609465042 /nfs/dbraw/zinc/46/50/42/609465042.db2.gz NHYQKYBFGUCUMJ-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)n1 ZINC000826363066 609558717 /nfs/dbraw/zinc/55/87/17/609558717.db2.gz VOLXEKUOCWIVGA-UHFFFAOYSA-N -1 3 380.271 1.362 20 5 GDBDHM O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464331 609635709 /nfs/dbraw/zinc/63/57/09/609635709.db2.gz RZJTYWRYXSZJOO-OAHLLOKOSA-N -1 3 385.336 1.431 20 5 GDBDHM O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464331 609635710 /nfs/dbraw/zinc/63/57/10/609635710.db2.gz RZJTYWRYXSZJOO-OAHLLOKOSA-N -1 3 385.336 1.431 20 5 GDBDHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108400093 644618488 /nfs/dbraw/zinc/61/84/88/644618488.db2.gz NQWDZDHDHJMBIC-GFCCVEGCSA-N -1 3 377.850 1.637 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000371401304 645741971 /nfs/dbraw/zinc/74/19/71/645741971.db2.gz NRQWTCKPOWFDLQ-QMTHXVAHSA-N -1 3 376.818 1.865 20 5 GDBDHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466515986 647612891 /nfs/dbraw/zinc/61/28/91/647612891.db2.gz QFMMMXBDMXOGSM-UHFFFAOYSA-N -1 3 391.814 1.970 20 5 GDBDHM CCn1ncnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000481215513 647871947 /nfs/dbraw/zinc/87/19/47/647871947.db2.gz PGKGIVVGEDVNQB-UHFFFAOYSA-N -1 3 379.320 1.704 20 5 GDBDHM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000599518379 652505750 /nfs/dbraw/zinc/50/57/50/652505750.db2.gz GDXFFAFCIMARHZ-JOYOIKCWSA-N -1 3 388.789 1.748 20 5 GDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000609465944 652845106 /nfs/dbraw/zinc/84/51/06/652845106.db2.gz OOPSZDRJWPVYAV-UHFFFAOYSA-N -1 3 386.407 1.800 20 5 GDBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000769904765 654491700 /nfs/dbraw/zinc/49/17/00/654491700.db2.gz JLPBWTHUQGFYDP-ZETCQYMHSA-N -1 3 381.204 1.445 20 5 GDBDHM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000726600088 654855862 /nfs/dbraw/zinc/85/58/62/654855862.db2.gz SRDGEMMZDSXZSI-JTQLQIEISA-N -1 3 377.806 1.757 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccco2)c(Br)c1 ZINC000751205602 654877202 /nfs/dbraw/zinc/87/72/02/654877202.db2.gz SAFLECMJFRMNAM-JTQLQIEISA-N -1 3 391.199 1.962 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1nnc2ccccn21 ZINC000751254945 654879552 /nfs/dbraw/zinc/87/95/52/654879552.db2.gz JLOWCAPUWDRBRH-UHFFFAOYSA-N -1 3 381.801 1.812 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c1 ZINC000753841393 654958726 /nfs/dbraw/zinc/95/87/26/654958726.db2.gz KMCGQZUPQHTQMO-CZMCAQCFSA-N -1 3 379.232 1.939 20 5 GDBDHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795821601 655189132 /nfs/dbraw/zinc/18/91/32/655189132.db2.gz ALBNAAIHYOVHMF-SNVBAGLBSA-N -1 3 394.856 1.302 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]N=c1nc[nH]c2ccsc21 ZINC000765126681 655231192 /nfs/dbraw/zinc/23/11/92/655231192.db2.gz MXAOZTVLNWUEHL-UHFFFAOYSA-N -1 3 381.395 1.914 20 5 GDBDHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011761 655277803 /nfs/dbraw/zinc/27/78/03/655277803.db2.gz YTPUVXMCRBKIIP-JTQLQIEISA-N -1 3 394.856 1.302 20 5 GDBDHM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000859413306 655782246 /nfs/dbraw/zinc/78/22/46/655782246.db2.gz BBGIXXQDDVWHRF-SSDOTTSWSA-N -1 3 385.320 1.300 20 5 GDBDHM CC1(C)CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)S1 ZINC000820607564 945498723 /nfs/dbraw/zinc/49/87/23/945498723.db2.gz VXVSKMCIKMPHIN-UHFFFAOYSA-N -1 3 388.457 1.778 20 5 GDBDHM CC1(C)CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)S1 ZINC000820607564 945498727 /nfs/dbraw/zinc/49/87/27/945498727.db2.gz VXVSKMCIKMPHIN-UHFFFAOYSA-N -1 3 388.457 1.778 20 5 GDBDHM Cc1cc(F)cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822203175 945987995 /nfs/dbraw/zinc/98/79/95/945987995.db2.gz HZFGFNAKACARCI-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(F)cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822203175 945988002 /nfs/dbraw/zinc/98/80/02/945988002.db2.gz HZFGFNAKACARCI-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(N2CCOCC2)c1 ZINC000822238793 946022833 /nfs/dbraw/zinc/02/28/33/946022833.db2.gz VBKWQXHLQFMAFF-UHFFFAOYSA-N -1 3 396.411 1.927 20 5 GDBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(N2CCOCC2)c1 ZINC000822238793 946022841 /nfs/dbraw/zinc/02/28/41/946022841.db2.gz VBKWQXHLQFMAFF-UHFFFAOYSA-N -1 3 396.411 1.927 20 5 GDBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823467122 946434940 /nfs/dbraw/zinc/43/49/40/946434940.db2.gz SDPAIZVTWBUSBS-SNVBAGLBSA-N -1 3 386.397 1.558 20 5 GDBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823467122 946434945 /nfs/dbraw/zinc/43/49/45/946434945.db2.gz SDPAIZVTWBUSBS-SNVBAGLBSA-N -1 3 386.397 1.558 20 5 GDBDHM C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824713406 946907132 /nfs/dbraw/zinc/90/71/32/946907132.db2.gz ICUUQRBQMBQLIC-NSHDSACASA-N -1 3 396.363 1.809 20 5 GDBDHM C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824713406 946907135 /nfs/dbraw/zinc/90/71/35/946907135.db2.gz ICUUQRBQMBQLIC-NSHDSACASA-N -1 3 396.363 1.809 20 5 GDBDHM Cc1cc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826272081 947789471 /nfs/dbraw/zinc/78/94/71/947789471.db2.gz TYRYKLPRURHKTA-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1cc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826272081 947789476 /nfs/dbraw/zinc/78/94/76/947789476.db2.gz TYRYKLPRURHKTA-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM CN1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001598595223 993494933 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ZINC000736842474 598502026 /nfs/dbraw/zinc/50/20/26/598502026.db2.gz AHSSGVMMGTYRQE-NSHDSACASA-N -1 3 382.388 1.065 20 5 GDBDHM Cc1csc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000737451408 598502479 /nfs/dbraw/zinc/50/24/79/598502479.db2.gz CNUXCAYDRZUCTD-JTQLQIEISA-N -1 3 387.429 1.650 20 5 GDBDHM Cc1csc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000737451408 598502481 /nfs/dbraw/zinc/50/24/81/598502481.db2.gz CNUXCAYDRZUCTD-JTQLQIEISA-N -1 3 387.429 1.650 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737283643 598558432 /nfs/dbraw/zinc/55/84/32/598558432.db2.gz FTQJNNLTIYKKNU-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737283643 598558433 /nfs/dbraw/zinc/55/84/33/598558433.db2.gz FTQJNNLTIYKKNU-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738383594 598646467 /nfs/dbraw/zinc/64/64/67/598646467.db2.gz WXIRTIIOAMQKKN-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738383594 598646468 /nfs/dbraw/zinc/64/64/68/598646468.db2.gz WXIRTIIOAMQKKN-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM CCn1ccnc1CN1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736723951 598672644 /nfs/dbraw/zinc/67/26/44/598672644.db2.gz ZAQQDQBKYYPANQ-UHFFFAOYSA-N -1 3 397.443 1.704 20 5 GDBDHM CCn1ccnc1CN1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736723951 598672647 /nfs/dbraw/zinc/67/26/47/598672647.db2.gz ZAQQDQBKYYPANQ-UHFFFAOYSA-N -1 3 397.443 1.704 20 5 GDBDHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738083185 598751058 /nfs/dbraw/zinc/75/10/58/598751058.db2.gz PVGCNITXQUVULG-UHFFFAOYSA-N -1 3 388.775 1.665 20 5 GDBDHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738083185 598751060 /nfs/dbraw/zinc/75/10/60/598751060.db2.gz PVGCNITXQUVULG-UHFFFAOYSA-N -1 3 388.775 1.665 20 5 GDBDHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738292262 599387948 /nfs/dbraw/zinc/38/79/48/599387948.db2.gz KVTKDOYMKMXYOC-SECBINFHSA-N -1 3 386.397 1.558 20 5 GDBDHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738292262 599387951 /nfs/dbraw/zinc/38/79/51/599387951.db2.gz KVTKDOYMKMXYOC-SECBINFHSA-N -1 3 386.397 1.558 20 5 GDBDHM CC1(C)CN(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820601322 599513385 /nfs/dbraw/zinc/51/33/85/599513385.db2.gz IGKPTBBSCJMSIH-UHFFFAOYSA-N -1 3 398.427 1.846 20 5 GDBDHM CC1(C)CN(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820601322 599513388 /nfs/dbraw/zinc/51/33/88/599513388.db2.gz IGKPTBBSCJMSIH-UHFFFAOYSA-N -1 3 398.427 1.846 20 5 GDBDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820642494 599563126 /nfs/dbraw/zinc/56/31/26/599563126.db2.gz IXTSRJFQCZTXKQ-PYJDNQCMSA-N -1 3 387.425 1.669 20 5 GDBDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820642494 599563129 /nfs/dbraw/zinc/56/31/29/599563129.db2.gz IXTSRJFQCZTXKQ-PYJDNQCMSA-N -1 3 387.425 1.669 20 5 GDBDHM Cc1c(CC(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236226 607390631 /nfs/dbraw/zinc/39/06/31/607390631.db2.gz CZBCUMDVBPEFJS-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM Cc1c(CC(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236226 607390632 /nfs/dbraw/zinc/39/06/32/607390632.db2.gz CZBCUMDVBPEFJS-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830841 607442320 /nfs/dbraw/zinc/44/23/20/607442320.db2.gz ZUVBGVGRHGSTTB-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830841 607442323 /nfs/dbraw/zinc/44/23/23/607442323.db2.gz ZUVBGVGRHGSTTB-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM CN(C(=O)[O-])[C@@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000739588025 602991474 /nfs/dbraw/zinc/99/14/74/602991474.db2.gz XYUKTZYYGDHMES-CYBMUJFWSA-N -1 3 378.385 1.967 20 5 GDBDHM O=C([O-])NCCNC(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000834240331 605564682 /nfs/dbraw/zinc/56/46/82/605564682.db2.gz JIVDDMCNFSMVMU-BYPUDFOVSA-N -1 3 376.413 1.704 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823488663 606044156 /nfs/dbraw/zinc/04/41/56/606044156.db2.gz RPNMJEXBNRLFRJ-UHFFFAOYSA-N -1 3 386.397 1.194 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823488663 606044161 /nfs/dbraw/zinc/04/41/61/606044161.db2.gz RPNMJEXBNRLFRJ-UHFFFAOYSA-N -1 3 386.397 1.194 20 5 GDBDHM O=C1[C@H](N2CCc3cc([N+](=O)[O-])ccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503038 606243648 /nfs/dbraw/zinc/24/36/48/606243648.db2.gz AMUCKGJBDUMTRP-QGZVFWFLSA-N -1 3 391.391 1.943 20 5 GDBDHM O=C1[C@H](N2CCc3cc([N+](=O)[O-])ccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503038 606243649 /nfs/dbraw/zinc/24/36/49/606243649.db2.gz AMUCKGJBDUMTRP-QGZVFWFLSA-N -1 3 391.391 1.943 20 5 GDBDHM COC(=O)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644858 606302537 /nfs/dbraw/zinc/30/25/37/606302537.db2.gz LFVWCMQNGPBTTE-MRXNPFEDSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644858 606302538 /nfs/dbraw/zinc/30/25/38/606302538.db2.gz LFVWCMQNGPBTTE-MRXNPFEDSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642485 606306088 /nfs/dbraw/zinc/30/60/88/606306088.db2.gz JWKSYPFUQWCVCM-INIZCTEOSA-N -1 3 398.379 1.658 20 5 GDBDHM COC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642485 606306089 /nfs/dbraw/zinc/30/60/89/606306089.db2.gz JWKSYPFUQWCVCM-INIZCTEOSA-N -1 3 398.379 1.658 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CC(OCCCOc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647267 606644121 /nfs/dbraw/zinc/64/41/21/606644121.db2.gz JJEWGMRDQWGGKL-UHFFFAOYSA-N -1 3 397.395 1.844 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CC(OCCCOc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647267 606644122 /nfs/dbraw/zinc/64/41/22/606644122.db2.gz JJEWGMRDQWGGKL-UHFFFAOYSA-N -1 3 397.395 1.844 20 5 GDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000822982644 606678371 /nfs/dbraw/zinc/67/83/71/606678371.db2.gz FUPVZZAJHDENMW-UHFFFAOYSA-N -1 3 386.397 1.648 20 5 GDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000822982644 606678372 /nfs/dbraw/zinc/67/83/72/606678372.db2.gz FUPVZZAJHDENMW-UHFFFAOYSA-N -1 3 386.397 1.648 20 5 GDBDHM NC(=O)[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850647 606753416 /nfs/dbraw/zinc/75/34/16/606753416.db2.gz MHNGVJPPDBNCON-MRXNPFEDSA-N -1 3 396.363 1.477 20 5 GDBDHM NC(=O)[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850647 606753417 /nfs/dbraw/zinc/75/34/17/606753417.db2.gz MHNGVJPPDBNCON-MRXNPFEDSA-N -1 3 396.363 1.477 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648549 606796976 /nfs/dbraw/zinc/79/69/76/606796976.db2.gz MSKNYROUNZWEIR-CYBMUJFWSA-N -1 3 384.308 1.241 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648549 606796977 /nfs/dbraw/zinc/79/69/77/606796977.db2.gz MSKNYROUNZWEIR-CYBMUJFWSA-N -1 3 384.308 1.241 20 5 GDBDHM O=C(O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc([N+](=O)[O-])cn1 ZINC000823392211 606797307 /nfs/dbraw/zinc/79/73/07/606797307.db2.gz NONUMNUKZNGHQB-AWEZNQCLSA-N -1 3 395.335 1.132 20 5 GDBDHM O=C(O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc([N+](=O)[O-])cn1 ZINC000823392211 606797308 /nfs/dbraw/zinc/79/73/08/606797308.db2.gz NONUMNUKZNGHQB-AWEZNQCLSA-N -1 3 395.335 1.132 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1sccc1-c1nnn[n-]1 ZINC000823118920 606869246 /nfs/dbraw/zinc/86/92/46/606869246.db2.gz VOZONXDSEHTIDR-UHFFFAOYSA-N -1 3 381.761 1.290 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1sccc1-c1nn[n-]n1 ZINC000823118920 606869248 /nfs/dbraw/zinc/86/92/48/606869248.db2.gz VOZONXDSEHTIDR-UHFFFAOYSA-N -1 3 381.761 1.290 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822907645 607004273 /nfs/dbraw/zinc/00/42/73/607004273.db2.gz WZIFMVSEGHULDZ-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822907645 607004275 /nfs/dbraw/zinc/00/42/75/607004275.db2.gz WZIFMVSEGHULDZ-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM O=c1c([N+](=O)[O-])cn(-c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823656283 607042530 /nfs/dbraw/zinc/04/25/30/607042530.db2.gz ARDMCKDROZPRND-UHFFFAOYSA-N -1 3 398.217 1.248 20 5 GDBDHM O=c1c([N+](=O)[O-])cn(-c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823656283 607042532 /nfs/dbraw/zinc/04/25/32/607042532.db2.gz ARDMCKDROZPRND-UHFFFAOYSA-N -1 3 398.217 1.248 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1CN1CCOCC1 ZINC000823625136 607165605 /nfs/dbraw/zinc/16/56/05/607165605.db2.gz QEJOJEBLAFZFCW-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1CN1CCOCC1 ZINC000823625136 607165607 /nfs/dbraw/zinc/16/56/07/607165607.db2.gz QEJOJEBLAFZFCW-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1ccccc1F ZINC000826497274 607869601 /nfs/dbraw/zinc/86/96/01/607869601.db2.gz AMIMDHGHNKZTCZ-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccccc1F ZINC000826497274 607869602 /nfs/dbraw/zinc/86/96/02/607869602.db2.gz AMIMDHGHNKZTCZ-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826499293 607874201 /nfs/dbraw/zinc/87/42/01/607874201.db2.gz CVVDUJMPAXHEEA-NSHDSACASA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826499293 607874202 /nfs/dbraw/zinc/87/42/02/607874202.db2.gz CVVDUJMPAXHEEA-NSHDSACASA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000826500265 607939346 /nfs/dbraw/zinc/93/93/46/607939346.db2.gz QRXZHNFUGXVZGY-UHFFFAOYSA-N -1 3 386.393 1.522 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000826500265 607939347 /nfs/dbraw/zinc/93/93/47/607939347.db2.gz QRXZHNFUGXVZGY-UHFFFAOYSA-N -1 3 386.393 1.522 20 5 GDBDHM COC(=O)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111403 607983278 /nfs/dbraw/zinc/98/32/78/607983278.db2.gz DVNLNMXQLSITIU-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM COC(=O)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111403 607983279 /nfs/dbraw/zinc/98/32/79/607983279.db2.gz DVNLNMXQLSITIU-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826422795 608090001 /nfs/dbraw/zinc/09/00/01/608090001.db2.gz MJHAJNHKKSRXTP-KRWDZBQOSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826422795 608090002 /nfs/dbraw/zinc/09/00/02/608090002.db2.gz MJHAJNHKKSRXTP-KRWDZBQOSA-N -1 3 394.391 1.918 20 5 GDBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826161752 608137267 /nfs/dbraw/zinc/13/72/67/608137267.db2.gz XWFZFQKLVDBTHI-UHFFFAOYSA-N -1 3 398.379 1.981 20 5 GDBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826161752 608137268 /nfs/dbraw/zinc/13/72/68/608137268.db2.gz XWFZFQKLVDBTHI-UHFFFAOYSA-N -1 3 398.379 1.981 20 5 GDBDHM CCC(=O)N1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000825035150 608163168 /nfs/dbraw/zinc/16/31/68/608163168.db2.gz WBYACJAXFTZDOF-QMMMGPOBSA-N -1 3 393.791 1.625 20 5 GDBDHM 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O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000826501369 608405935 /nfs/dbraw/zinc/40/59/35/608405935.db2.gz NAODQHAQHYTAKW-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826501369 608405936 /nfs/dbraw/zinc/40/59/36/608405936.db2.gz NAODQHAQHYTAKW-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM CCc1nn(C)c(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000825759267 608768853 /nfs/dbraw/zinc/76/88/53/608768853.db2.gz ATOVLINAAKPJPZ-UHFFFAOYSA-N -1 3 397.443 1.393 20 5 GDBDHM CCc1nn(C)c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1[N+](=O)[O-] ZINC000825760395 608795692 /nfs/dbraw/zinc/79/56/92/608795692.db2.gz XMTJOYXSCSBNKD-CQSZACIVSA-N -1 3 384.400 1.649 20 5 GDBDHM CCc1nn(C)c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1[N+](=O)[O-] ZINC000825760395 608795693 /nfs/dbraw/zinc/79/56/93/608795693.db2.gz XMTJOYXSCSBNKD-CQSZACIVSA-N -1 3 384.400 1.649 20 5 GDBDHM Cc1cccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] 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O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738368093 599596338 /nfs/dbraw/zinc/59/63/38/599596338.db2.gz DUPHOQHGHKXIPF-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM CN(CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000821593661 599670614 /nfs/dbraw/zinc/67/06/14/599670614.db2.gz DLMDJIOSEZIGFX-UHFFFAOYSA-N -1 3 398.379 1.833 20 5 GDBDHM CN(CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000821593661 599670615 /nfs/dbraw/zinc/67/06/15/599670615.db2.gz DLMDJIOSEZIGFX-UHFFFAOYSA-N -1 3 398.379 1.833 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826252280 607390347 /nfs/dbraw/zinc/39/03/47/607390347.db2.gz XGZUUXADOMWSGH-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826252280 607390349 /nfs/dbraw/zinc/39/03/49/607390349.db2.gz XGZUUXADOMWSGH-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCNS(=O)(=O)c1cccs1 ZINC000826497856 607562353 /nfs/dbraw/zinc/56/23/53/607562353.db2.gz WRNGAKZLLADQCS-UHFFFAOYSA-N -1 3 395.426 1.227 20 5 GDBDHM COc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826197113 607586125 /nfs/dbraw/zinc/58/61/25/607586125.db2.gz AAEXRVUVYNVWCG-UHFFFAOYSA-N -1 3 384.352 1.479 20 5 GDBDHM COc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826197113 607586126 /nfs/dbraw/zinc/58/61/26/607586126.db2.gz AAEXRVUVYNVWCG-UHFFFAOYSA-N -1 3 384.352 1.479 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000822631720 606209142 /nfs/dbraw/zinc/20/91/42/606209142.db2.gz GFOACFLOUJNROG-UHFFFAOYSA-N -1 3 382.384 1.076 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000822631720 606209143 /nfs/dbraw/zinc/20/91/43/606209143.db2.gz GFOACFLOUJNROG-UHFFFAOYSA-N -1 3 382.384 1.076 20 5 GDBDHM CC(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803693 606456406 /nfs/dbraw/zinc/45/64/06/606456406.db2.gz 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20 5 GDBDHM CCC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820836903 606791600 /nfs/dbraw/zinc/79/16/00/606791600.db2.gz DKRDIWIOAMIZSS-JTQLQIEISA-N -1 3 382.384 1.746 20 5 GDBDHM CCC(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820836903 606791602 /nfs/dbraw/zinc/79/16/02/606791602.db2.gz DKRDIWIOAMIZSS-JTQLQIEISA-N -1 3 382.384 1.746 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823629760 606878880 /nfs/dbraw/zinc/87/88/80/606878880.db2.gz GPPZVDPNPAYYMV-SWLSCSKDSA-N -1 3 386.368 1.697 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823629760 606878882 /nfs/dbraw/zinc/87/88/82/606878882.db2.gz GPPZVDPNPAYYMV-SWLSCSKDSA-N -1 3 386.368 1.697 20 5 GDBDHM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC000823027088 606901446 /nfs/dbraw/zinc/90/14/46/606901446.db2.gz LGQAZZYQWIXCSX-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC000823027088 606901448 /nfs/dbraw/zinc/90/14/48/606901448.db2.gz LGQAZZYQWIXCSX-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM Cc1nc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000822449822 607168126 /nfs/dbraw/zinc/16/81/26/607168126.db2.gz QOAMXDIQDPKCJV-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM Cc1nc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000822449822 607168127 /nfs/dbraw/zinc/16/81/27/607168127.db2.gz QOAMXDIQDPKCJV-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM COc1cc(OCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000821728421 607244534 /nfs/dbraw/zinc/24/45/34/607244534.db2.gz WJMQBUXXOQNLSH-UHFFFAOYSA-N -1 3 389.299 1.907 20 5 GDBDHM COc1cc(OCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000821728421 607244535 /nfs/dbraw/zinc/24/45/35/607244535.db2.gz WJMQBUXXOQNLSH-UHFFFAOYSA-N -1 3 389.299 1.907 20 5 GDBDHM O=[N+]([O-])c1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826499210 607873604 /nfs/dbraw/zinc/87/36/04/607873604.db2.gz ZVOYAANSWPNMHA-GFCCVEGCSA-N -1 3 375.316 1.733 20 5 GDBDHM Cc1cnn(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826320517 607878101 /nfs/dbraw/zinc/87/81/01/607878101.db2.gz ULILWGYWMLRFOV-UHFFFAOYSA-N -1 3 376.764 1.962 20 5 GDBDHM Cc1cnn(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826320517 607878102 /nfs/dbraw/zinc/87/81/02/607878102.db2.gz ULILWGYWMLRFOV-UHFFFAOYSA-N -1 3 376.764 1.962 20 5 GDBDHM COc1ccc(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826190427 607947271 /nfs/dbraw/zinc/94/72/71/607947271.db2.gz BANUKRGWUAWVTI-UHFFFAOYSA-N -1 3 380.364 1.915 20 5 GDBDHM COc1ccc(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826190427 607947272 /nfs/dbraw/zinc/94/72/72/607947272.db2.gz BANUKRGWUAWVTI-UHFFFAOYSA-N -1 3 380.364 1.915 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824010993 607971438 /nfs/dbraw/zinc/97/14/38/607971438.db2.gz VSOZKEHBAXQTDS-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824010993 607971439 /nfs/dbraw/zinc/97/14/39/607971439.db2.gz VSOZKEHBAXQTDS-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826330340 608080279 /nfs/dbraw/zinc/08/02/79/608080279.db2.gz PQUCNKOLRJQJPH-MRXNPFEDSA-N -1 3 395.379 1.692 20 5 GDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826330340 608080280 /nfs/dbraw/zinc/08/02/80/608080280.db2.gz PQUCNKOLRJQJPH-MRXNPFEDSA-N -1 3 395.379 1.692 20 5 GDBDHM O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424161 608085756 /nfs/dbraw/zinc/08/57/56/608085756.db2.gz YHTMGGLLOJTBIK-KRWDZBQOSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424161 608085757 /nfs/dbraw/zinc/08/57/57/608085757.db2.gz YHTMGGLLOJTBIK-KRWDZBQOSA-N -1 3 394.391 1.918 20 5 GDBDHM CS(=O)(=O)CCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826222929 608159769 /nfs/dbraw/zinc/15/97/69/608159769.db2.gz UEFXHDSKAZJBQB-UHFFFAOYSA-N -1 3 388.793 1.192 20 5 GDBDHM CS(=O)(=O)CCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826222929 608159770 /nfs/dbraw/zinc/15/97/70/608159770.db2.gz UEFXHDSKAZJBQB-UHFFFAOYSA-N -1 3 388.793 1.192 20 5 GDBDHM Cn1cnn(-c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)c1=O ZINC000826365240 608194158 /nfs/dbraw/zinc/19/41/58/608194158.db2.gz GJBHZTNOTHRUCZ-UHFFFAOYSA-N -1 3 379.340 1.403 20 5 GDBDHM Cn1cnn(-c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)c1=O ZINC000826365240 608194159 /nfs/dbraw/zinc/19/41/59/608194159.db2.gz GJBHZTNOTHRUCZ-UHFFFAOYSA-N -1 3 379.340 1.403 20 5 GDBDHM COCCN(CC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826157705 608292860 /nfs/dbraw/zinc/29/28/60/608292860.db2.gz HVLRGPGUUHJRHJ-UHFFFAOYSA-N -1 3 378.389 1.569 20 5 GDBDHM COCCN(CC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826157705 608292862 /nfs/dbraw/zinc/29/28/62/608292862.db2.gz HVLRGPGUUHJRHJ-UHFFFAOYSA-N -1 3 378.389 1.569 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824633496 608426279 /nfs/dbraw/zinc/42/62/79/608426279.db2.gz ORWBNSKZTGFCSV-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824633496 608426280 /nfs/dbraw/zinc/42/62/80/608426280.db2.gz ORWBNSKZTGFCSV-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824469960 608471019 /nfs/dbraw/zinc/47/10/19/608471019.db2.gz DNKMYRWBSLMVRI-VIFPVBQESA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824469960 608471021 /nfs/dbraw/zinc/47/10/21/608471021.db2.gz DNKMYRWBSLMVRI-VIFPVBQESA-N -1 3 399.342 1.730 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826276953 608472712 /nfs/dbraw/zinc/47/27/12/608472712.db2.gz DOYCAGZKAYPGNI-LLVKDONJSA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826276953 608472714 /nfs/dbraw/zinc/47/27/14/608472714.db2.gz DOYCAGZKAYPGNI-LLVKDONJSA-N -1 3 395.379 1.899 20 5 GDBDHM COc1cc(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000826178988 609190997 /nfs/dbraw/zinc/19/09/97/609190997.db2.gz TXGLRJBQHNFUEC-UHFFFAOYSA-N -1 3 387.356 1.093 20 5 GDBDHM COc1cc(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826178988 609190998 /nfs/dbraw/zinc/19/09/98/609190998.db2.gz TXGLRJBQHNFUEC-UHFFFAOYSA-N -1 3 387.356 1.093 20 5 GDBDHM C[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824712972 609349321 /nfs/dbraw/zinc/34/93/21/609349321.db2.gz FUSKYNANFBTJAJ-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824712972 609349322 /nfs/dbraw/zinc/34/93/22/609349322.db2.gz FUSKYNANFBTJAJ-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM Cc1nn(C)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826332711 609617279 /nfs/dbraw/zinc/61/72/79/609617279.db2.gz DSDARUXLVFJFJK-UHFFFAOYSA-N -1 3 377.748 1.827 20 5 GDBDHM Cc1nn(C)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826332711 609617280 /nfs/dbraw/zinc/61/72/80/609617280.db2.gz DSDARUXLVFJFJK-UHFFFAOYSA-N -1 3 377.748 1.827 20 5 GDBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464186 609637005 /nfs/dbraw/zinc/63/70/05/609637005.db2.gz LZQPCVPNYQAUKO-HNNXBMFYSA-N -1 3 385.336 1.431 20 5 GDBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464186 609637008 /nfs/dbraw/zinc/63/70/08/609637008.db2.gz LZQPCVPNYQAUKO-HNNXBMFYSA-N -1 3 385.336 1.431 20 5 GDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531269295 649989716 /nfs/dbraw/zinc/98/97/16/649989716.db2.gz JEIBMJJCQSJNCU-NSHDSACASA-N -1 3 383.202 1.528 20 5 GDBDHM Cn1cc(Br)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1=O ZINC000120280501 644669551 /nfs/dbraw/zinc/66/95/51/644669551.db2.gz AYIRYSWIAUZTCL-UHFFFAOYSA-N -1 3 394.228 1.918 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000920017997 660263742 /nfs/dbraw/zinc/26/37/42/660263742.db2.gz DSARKKNCXVQWDX-MFKMUULPSA-N -1 3 376.866 1.161 20 5 GDBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C ZINC000478911790 647820931 /nfs/dbraw/zinc/82/09/31/647820931.db2.gz SHPMMJBFOHKIJS-UHFFFAOYSA-N -1 3 379.320 1.827 20 5 GDBDHM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000593582449 652220244 /nfs/dbraw/zinc/22/02/44/652220244.db2.gz NJPNGGWWTRHUIV-UHFFFAOYSA-N -1 3 386.411 1.144 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000599392013 652489001 /nfs/dbraw/zinc/48/90/01/652489001.db2.gz OVOIKYIDNMTDHU-MNOVXSKESA-N -1 3 384.332 1.432 20 5 GDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)s1 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ZINC000735633324 598498740 /nfs/dbraw/zinc/49/87/40/598498740.db2.gz OPVUPSSQYDXFBV-SNVBAGLBSA-N -1 3 390.404 1.663 20 5 GDBDHM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735633324 598498742 /nfs/dbraw/zinc/49/87/42/598498742.db2.gz OPVUPSSQYDXFBV-SNVBAGLBSA-N -1 3 390.404 1.663 20 5 GDBDHM CCN(CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736536296 598500448 /nfs/dbraw/zinc/50/04/48/598500448.db2.gz HVJLKALLCAWLNN-UHFFFAOYSA-N -1 3 378.393 1.839 20 5 GDBDHM CCN(CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736536296 598500450 /nfs/dbraw/zinc/50/04/50/598500450.db2.gz HVJLKALLCAWLNN-UHFFFAOYSA-N -1 3 378.393 1.839 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737986465 598545804 /nfs/dbraw/zinc/54/58/04/598545804.db2.gz KJMJMNWBKPDTAD-UHFFFAOYSA-N -1 3 380.271 1.212 20 5 GDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737986465 598545806 /nfs/dbraw/zinc/54/58/06/598545806.db2.gz KJMJMNWBKPDTAD-UHFFFAOYSA-N -1 3 380.271 1.212 20 5 GDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000736819263 598598104 /nfs/dbraw/zinc/59/81/04/598598104.db2.gz CCOXEEZOMSBFID-UHFFFAOYSA-N -1 3 397.395 1.995 20 5 GDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000736819263 598598106 /nfs/dbraw/zinc/59/81/06/598598106.db2.gz CCOXEEZOMSBFID-UHFFFAOYSA-N -1 3 397.395 1.995 20 5 GDBDHM COc1cccc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737137805 598602169 /nfs/dbraw/zinc/60/21/69/598602169.db2.gz FGMAJJMVPRCXEB-LLVKDONJSA-N -1 3 382.384 1.869 20 5 GDBDHM COc1cccc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737137805 598602171 /nfs/dbraw/zinc/60/21/71/598602171.db2.gz FGMAJJMVPRCXEB-LLVKDONJSA-N -1 3 382.384 1.869 20 5 GDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737986188 598746259 /nfs/dbraw/zinc/74/62/59/598746259.db2.gz DOMQVLXHYXULGY-UHFFFAOYSA-N -1 3 398.383 1.041 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nnnn1Cc1ccccc1 ZINC000823635338 599354267 /nfs/dbraw/zinc/35/42/67/599354267.db2.gz WASWFSCNRUUBQE-UHFFFAOYSA-N -1 3 381.381 1.961 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1nnnn1Cc1ccccc1 ZINC000823635338 599354270 /nfs/dbraw/zinc/35/42/70/599354270.db2.gz WASWFSCNRUUBQE-UHFFFAOYSA-N -1 3 381.381 1.961 20 5 GDBDHM COC(=O)c1cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000736950696 599389222 /nfs/dbraw/zinc/38/92/22/599389222.db2.gz MGRBAVCDXWLIGE-UHFFFAOYSA-N -1 3 397.351 1.612 20 5 GDBDHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCc1ccccc1[N+](=O)[O-] ZINC000823206821 599457535 /nfs/dbraw/zinc/45/75/35/599457535.db2.gz WCWBQJUYRJEITA-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCc1ccccc1[N+](=O)[O-] ZINC000823206821 599457539 /nfs/dbraw/zinc/45/75/39/599457539.db2.gz WCWBQJUYRJEITA-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM Cn1cc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)cn1 ZINC000822680301 599586035 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LZBYMUBXYXSAJU-UHFFFAOYSA-N -1 3 386.372 1.032 20 5 GDBDHM COc1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826200784 607629462 /nfs/dbraw/zinc/62/94/62/607629462.db2.gz IUXLEIYYCDJKDX-UHFFFAOYSA-N -1 3 390.306 1.992 20 5 GDBDHM COc1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1 ZINC000826200784 607629463 /nfs/dbraw/zinc/62/94/63/607629463.db2.gz IUXLEIYYCDJKDX-UHFFFAOYSA-N -1 3 390.306 1.992 20 5 GDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825961845 607739754 /nfs/dbraw/zinc/73/97/54/607739754.db2.gz NLSRJDLARMOEPM-UHFFFAOYSA-N -1 3 388.409 1.737 20 5 GDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825961845 607739755 /nfs/dbraw/zinc/73/97/55/607739755.db2.gz NLSRJDLARMOEPM-UHFFFAOYSA-N -1 3 388.409 1.737 20 5 GDBDHM Nc1ncc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826396110 607740671 /nfs/dbraw/zinc/74/06/71/607740671.db2.gz HLBQJEVLJVGCKC-UHFFFAOYSA-N -1 3 397.760 1.173 20 5 GDBDHM Nc1ncc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826396110 607740672 /nfs/dbraw/zinc/74/06/72/607740672.db2.gz HLBQJEVLJVGCKC-UHFFFAOYSA-N -1 3 397.760 1.173 20 5 GDBDHM Cc1ccc(NCCCNC(=O)c2cc(-c3nnn[n-]3)cn2C)c([N+](=O)[O-])c1 ZINC000822254186 606256895 /nfs/dbraw/zinc/25/68/95/606256895.db2.gz CGVFHEVJBISCDQ-UHFFFAOYSA-N -1 3 384.400 1.654 20 5 GDBDHM Cc1ccc(NCCCNC(=O)c2cc(-c3nn[n-]n3)cn2C)c([N+](=O)[O-])c1 ZINC000822254186 606256896 /nfs/dbraw/zinc/25/68/96/606256896.db2.gz CGVFHEVJBISCDQ-UHFFFAOYSA-N -1 3 384.400 1.654 20 5 GDBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822212910 606331341 /nfs/dbraw/zinc/33/13/41/606331341.db2.gz MLFLPDDFLODBSJ-UHFFFAOYSA-N -1 3 388.409 1.870 20 5 GDBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822212910 606331342 /nfs/dbraw/zinc/33/13/42/606331342.db2.gz MLFLPDDFLODBSJ-UHFFFAOYSA-N -1 3 388.409 1.870 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648274 606364555 /nfs/dbraw/zinc/36/45/55/606364555.db2.gz FXNNNELKPZDPSN-LBPRGKRZSA-N -1 3 389.349 1.908 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648274 606364556 /nfs/dbraw/zinc/36/45/56/606364556.db2.gz FXNNNELKPZDPSN-LBPRGKRZSA-N -1 3 389.349 1.908 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000822660463 606389882 /nfs/dbraw/zinc/38/98/82/606389882.db2.gz ZHMBCWPESKKEST-UHFFFAOYSA-N -1 3 389.303 1.048 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000822660463 606389884 /nfs/dbraw/zinc/38/98/84/606389884.db2.gz ZHMBCWPESKKEST-UHFFFAOYSA-N -1 3 389.303 1.048 20 5 GDBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000821690380 606524849 /nfs/dbraw/zinc/52/48/49/606524849.db2.gz JDBHQWCNXGEKAM-UHFFFAOYSA-N -1 3 397.395 1.646 20 5 GDBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000821690380 606524850 /nfs/dbraw/zinc/52/48/50/606524850.db2.gz JDBHQWCNXGEKAM-UHFFFAOYSA-N -1 3 397.395 1.646 20 5 GDBDHM O=C(N1CCC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000823140343 606633527 /nfs/dbraw/zinc/63/35/27/606633527.db2.gz SRHLLNWASQXTSQ-UHFFFAOYSA-N -1 3 399.333 1.988 20 5 GDBDHM O=C(N1CCC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000823140343 606633528 /nfs/dbraw/zinc/63/35/28/606633528.db2.gz SRHLLNWASQXTSQ-UHFFFAOYSA-N -1 3 399.333 1.988 20 5 GDBDHM NC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822885730 606633731 /nfs/dbraw/zinc/63/37/31/606633731.db2.gz UXCRHFWNSFLHCZ-UHFFFAOYSA-N -1 3 391.351 1.429 20 5 GDBDHM NC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822885730 606633732 /nfs/dbraw/zinc/63/37/32/606633732.db2.gz UXCRHFWNSFLHCZ-UHFFFAOYSA-N -1 3 391.351 1.429 20 5 GDBDHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000820804264 606780986 /nfs/dbraw/zinc/78/09/86/606780986.db2.gz 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1.782 20 5 GDBDHM COc1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821786511 599166444 /nfs/dbraw/zinc/16/64/44/599166444.db2.gz FCXQHGJVJKIDSQ-UHFFFAOYSA-N -1 3 386.343 1.782 20 5 GDBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000823242203 599168439 /nfs/dbraw/zinc/16/84/39/599168439.db2.gz RJKXNIDKVCPECR-UHFFFAOYSA-N -1 3 386.299 1.573 20 5 GDBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000823242203 599168444 /nfs/dbraw/zinc/16/84/44/599168444.db2.gz RJKXNIDKVCPECR-UHFFFAOYSA-N -1 3 386.299 1.573 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCN(CCOc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823651940 599229382 /nfs/dbraw/zinc/22/93/82/599229382.db2.gz SGKNYDKXTRKMSX-UHFFFAOYSA-N -1 3 396.411 1.371 20 5 GDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738195065 599258962 /nfs/dbraw/zinc/25/89/62/599258962.db2.gz LRKACBRGXRVCHU-UHFFFAOYSA-N -1 3 377.324 1.030 20 5 GDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738195065 599258963 /nfs/dbraw/zinc/25/89/63/599258963.db2.gz LRKACBRGXRVCHU-UHFFFAOYSA-N -1 3 377.324 1.030 20 5 GDBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC000737370876 598252155 /nfs/dbraw/zinc/25/21/55/598252155.db2.gz XBFMMBPLEFXOTQ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC000737370876 598252156 /nfs/dbraw/zinc/25/21/56/598252156.db2.gz XBFMMBPLEFXOTQ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737282887 598289803 /nfs/dbraw/zinc/28/98/03/598289803.db2.gz KQEXVMJPZWUSET-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737282887 598289804 /nfs/dbraw/zinc/28/98/04/598289804.db2.gz KQEXVMJPZWUSET-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735626407 598468554 /nfs/dbraw/zinc/46/85/54/598468554.db2.gz KBRNTXYXELRGLX-JTQLQIEISA-N -1 3 390.404 1.981 20 5 GDBDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735626407 598468555 /nfs/dbraw/zinc/46/85/55/598468555.db2.gz KBRNTXYXELRGLX-JTQLQIEISA-N -1 3 390.404 1.981 20 5 GDBDHM CN(C[C@@H]1CCCN1c1cccnn1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736793924 598501957 /nfs/dbraw/zinc/50/19/57/598501957.db2.gz OJICLBQDKYDBDN-NSHDSACASA-N -1 3 382.388 1.065 20 5 GDBDHM CN(C[C@@H]1CCCN1c1cccnn1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736793924 598501958 /nfs/dbraw/zinc/50/19/58/598501958.db2.gz OJICLBQDKYDBDN-NSHDSACASA-N -1 3 382.388 1.065 20 5 GDBDHM COc1ccc(CC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737087316 598512127 /nfs/dbraw/zinc/51/21/27/598512127.db2.gz MRNCBSNVSLQSRP-UHFFFAOYSA-N -1 3 399.367 1.376 20 5 GDBDHM COc1ccc(CC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737087316 598512130 /nfs/dbraw/zinc/51/21/30/598512130.db2.gz MRNCBSNVSLQSRP-UHFFFAOYSA-N -1 3 399.367 1.376 20 5 GDBDHM CCN(C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000736511048 598556745 /nfs/dbraw/zinc/55/67/45/598556745.db2.gz CUEQKAOUAGOMMF-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM CCN(C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000736511048 598556746 /nfs/dbraw/zinc/55/67/46/598556746.db2.gz CUEQKAOUAGOMMF-UHFFFAOYSA-N -1 3 395.445 1.025 20 5 GDBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000737925020 598598759 /nfs/dbraw/zinc/59/87/59/598598759.db2.gz MFAOJZJUGZKVML-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000737925020 598598760 /nfs/dbraw/zinc/59/87/60/598598760.db2.gz MFAOJZJUGZKVML-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738151231 598661111 /nfs/dbraw/zinc/66/11/11/598661111.db2.gz OVCTWDWTKUDFQC-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738151231 598661113 /nfs/dbraw/zinc/66/11/13/598661113.db2.gz OVCTWDWTKUDFQC-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM CNc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736888625 598735200 /nfs/dbraw/zinc/73/52/00/598735200.db2.gz YJAZALHEKXZJNE-UHFFFAOYSA-N -1 3 384.356 1.481 20 5 GDBDHM CNc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736888625 598735202 /nfs/dbraw/zinc/73/52/02/598735202.db2.gz YJAZALHEKXZJNE-UHFFFAOYSA-N -1 3 384.356 1.481 20 5 GDBDHM O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415860 607366550 /nfs/dbraw/zinc/36/65/50/607366550.db2.gz VYWWGDRNGVNJME-UHFFFAOYSA-N -1 3 398.291 1.723 20 5 GDBDHM O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415860 607366552 /nfs/dbraw/zinc/36/65/52/607366552.db2.gz VYWWGDRNGVNJME-UHFFFAOYSA-N -1 3 398.291 1.723 20 5 GDBDHM O=[N+]([O-])c1ccc(N(CCO)CCOCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738370366 599323138 /nfs/dbraw/zinc/32/31/38/599323138.db2.gz OWLCGXLJIDNVOK-UHFFFAOYSA-N -1 3 376.295 1.153 20 5 GDBDHM O=[N+]([O-])c1ccc(N(CCO)CCOCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738370366 599323141 /nfs/dbraw/zinc/32/31/41/599323141.db2.gz OWLCGXLJIDNVOK-UHFFFAOYSA-N -1 3 376.295 1.153 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000823630255 599341450 /nfs/dbraw/zinc/34/14/50/599341450.db2.gz UJZLAGVXJQMIID-UHFFFAOYSA-N -1 3 396.772 1.732 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000823630255 599341452 /nfs/dbraw/zinc/34/14/52/599341452.db2.gz UJZLAGVXJQMIID-UHFFFAOYSA-N -1 3 396.772 1.732 20 5 GDBDHM Cc1nn(CCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000826334695 607370547 /nfs/dbraw/zinc/37/05/47/607370547.db2.gz FTFQWYKQOHATJK-UHFFFAOYSA-N -1 3 399.367 1.404 20 5 GDBDHM Cc1nn(CCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000826334695 607370548 /nfs/dbraw/zinc/37/05/48/607370548.db2.gz FTFQWYKQOHATJK-UHFFFAOYSA-N -1 3 399.367 1.404 20 5 GDBDHM NC(=O)CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000822864973 599482015 /nfs/dbraw/zinc/48/20/15/599482015.db2.gz QYSZKAMMORFVLP-UHFFFAOYSA-N -1 3 382.384 1.415 20 5 GDBDHM NC(=O)CC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000822864973 599482017 /nfs/dbraw/zinc/48/20/17/599482017.db2.gz QYSZKAMMORFVLP-UHFFFAOYSA-N -1 3 382.384 1.415 20 5 GDBDHM C[C@@H]1CN(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761299 599514273 /nfs/dbraw/zinc/51/42/73/599514273.db2.gz WWMUXDFVKROJAK-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@@H]1CN(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761299 599514276 /nfs/dbraw/zinc/51/42/76/599514276.db2.gz WWMUXDFVKROJAK-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820391064 599516574 /nfs/dbraw/zinc/51/65/74/599516574.db2.gz MICTWFOOROURGS-VIFPVBQESA-N -1 3 382.336 1.995 20 5 GDBDHM C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820391064 599516577 /nfs/dbraw/zinc/51/65/77/599516577.db2.gz MICTWFOOROURGS-VIFPVBQESA-N -1 3 382.336 1.995 20 5 GDBDHM CCOC(=O)c1ccnc(NCCNc2ncccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000736602109 599522707 /nfs/dbraw/zinc/52/27/07/599522707.db2.gz GJMFJRZISQFQLN-UHFFFAOYSA-N -1 3 399.371 1.266 20 5 GDBDHM CCOC(=O)c1ccnc(NCCNc2ncccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000736602109 599522708 /nfs/dbraw/zinc/52/27/08/599522708.db2.gz GJMFJRZISQFQLN-UHFFFAOYSA-N -1 3 399.371 1.266 20 5 GDBDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000828494683 600688710 /nfs/dbraw/zinc/68/87/10/600688710.db2.gz QYRIHLSMJCYVES-DYVFJYSZSA-N -1 3 389.412 1.061 20 5 GDBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000823513214 607471039 /nfs/dbraw/zinc/47/10/39/607471039.db2.gz UDGIPPJEOWAYJS-SNVBAGLBSA-N -1 3 385.306 1.740 20 5 GDBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000823513214 607471041 /nfs/dbraw/zinc/47/10/41/607471041.db2.gz UDGIPPJEOWAYJS-SNVBAGLBSA-N -1 3 385.306 1.740 20 5 GDBDHM COc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826199610 607563940 /nfs/dbraw/zinc/56/39/40/607563940.db2.gz FOYQRZZJIZRQMF-UHFFFAOYSA-N -1 3 397.395 1.825 20 5 GDBDHM COc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826199610 607563942 /nfs/dbraw/zinc/56/39/42/607563942.db2.gz FOYQRZZJIZRQMF-UHFFFAOYSA-N -1 3 397.395 1.825 20 5 GDBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nnn[n-]1 ZINC000826201508 607580205 /nfs/dbraw/zinc/58/02/05/607580205.db2.gz TUFMNKSQPNICJV-UHFFFAOYSA-N -1 3 384.352 1.722 20 5 GDBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nn[n-]n1 ZINC000826201508 607580208 /nfs/dbraw/zinc/58/02/08/607580208.db2.gz TUFMNKSQPNICJV-UHFFFAOYSA-N -1 3 384.352 1.722 20 5 GDBDHM O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826497997 607597008 /nfs/dbraw/zinc/59/70/08/607597008.db2.gz CKQLAUDJJUAEHN-UHFFFAOYSA-N -1 3 392.372 1.435 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000826246191 607661754 /nfs/dbraw/zinc/66/17/54/607661754.db2.gz VFLYFKYXJFJYDS-UHFFFAOYSA-N -1 3 394.395 1.441 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000826246191 607661756 /nfs/dbraw/zinc/66/17/56/607661756.db2.gz VFLYFKYXJFJYDS-UHFFFAOYSA-N -1 3 394.395 1.441 20 5 GDBDHM CN(C(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000821570784 606143828 /nfs/dbraw/zinc/14/38/28/606143828.db2.gz LBRBDUFCUIIUDH-UHFFFAOYSA-N -1 3 396.363 1.524 20 5 GDBDHM CN(C(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000821570784 606143829 /nfs/dbraw/zinc/14/38/29/606143829.db2.gz LBRBDUFCUIIUDH-UHFFFAOYSA-N -1 3 396.363 1.524 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822270893 606144154 /nfs/dbraw/zinc/14/41/54/606144154.db2.gz BSCCCXZAXKIOBG-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822270893 606144156 /nfs/dbraw/zinc/14/41/56/606144156.db2.gz BSCCCXZAXKIOBG-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822212978 606390168 /nfs/dbraw/zinc/39/01/68/606390168.db2.gz PDPXAZSPIUJGHB-UHFFFAOYSA-N -1 3 385.340 1.217 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822212978 606390169 /nfs/dbraw/zinc/39/01/69/606390169.db2.gz PDPXAZSPIUJGHB-UHFFFAOYSA-N -1 3 385.340 1.217 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820314038 606396002 /nfs/dbraw/zinc/39/60/02/606396002.db2.gz HEFXOERIVCLPTG-VIFPVBQESA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820314038 606396003 /nfs/dbraw/zinc/39/60/03/606396003.db2.gz HEFXOERIVCLPTG-VIFPVBQESA-N -1 3 399.342 1.730 20 5 GDBDHM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820913524 606614655 /nfs/dbraw/zinc/61/46/55/606614655.db2.gz IEEBBNTVNMSEOL-HNNXBMFYSA-N -1 3 395.379 1.981 20 5 GDBDHM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820913524 606614657 /nfs/dbraw/zinc/61/46/57/606614657.db2.gz IEEBBNTVNMSEOL-HNNXBMFYSA-N -1 3 395.379 1.981 20 5 GDBDHM Cc1c(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000822029459 606784589 /nfs/dbraw/zinc/78/45/89/606784589.db2.gz ZBMOWCWRXKHOOX-LBPRGKRZSA-N -1 3 395.427 1.584 20 5 GDBDHM Cc1c(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000822029459 606784591 /nfs/dbraw/zinc/78/45/91/606784591.db2.gz ZBMOWCWRXKHOOX-LBPRGKRZSA-N -1 3 395.427 1.584 20 5 GDBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823647993 606884463 /nfs/dbraw/zinc/88/44/63/606884463.db2.gz RNCHFKBZDAHZEV-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823647993 606884464 /nfs/dbraw/zinc/88/44/64/606884464.db2.gz RNCHFKBZDAHZEV-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM C[C@@H](CC[S@](C)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249725 607025928 /nfs/dbraw/zinc/02/59/28/607025928.db2.gz YYNMWCDDVLMNOT-MGGBDBEPSA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@@H](CC[S@](C)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820249725 607025930 /nfs/dbraw/zinc/02/59/30/607025930.db2.gz YYNMWCDDVLMNOT-MGGBDBEPSA-N -1 3 375.414 1.892 20 5 GDBDHM Nc1nc(Oc2ccc(Br)cc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000822907355 607046461 /nfs/dbraw/zinc/04/64/61/607046461.db2.gz ISCMHCXFBDIJAD-UHFFFAOYSA-N -1 3 379.134 1.702 20 5 GDBDHM Nc1nc(Oc2ccc(Br)cc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000822907355 607046462 /nfs/dbraw/zinc/04/64/62/607046462.db2.gz ISCMHCXFBDIJAD-UHFFFAOYSA-N -1 3 379.134 1.702 20 5 GDBDHM O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826462687 607777654 /nfs/dbraw/zinc/77/76/54/607777654.db2.gz FSTRRHNOROGRBQ-UHFFFAOYSA-N -1 3 398.383 1.571 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000826501637 607863246 /nfs/dbraw/zinc/86/32/46/607863246.db2.gz AAYSCBAXGJUIDA-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000826501637 607863247 /nfs/dbraw/zinc/86/32/47/607863247.db2.gz AAYSCBAXGJUIDA-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM CC(=O)c1cccc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000824029926 607876231 /nfs/dbraw/zinc/87/62/31/607876231.db2.gz VOJDXDYGCXCSDU-CYBMUJFWSA-N -1 3 399.363 1.796 20 5 GDBDHM CC(=O)c1cccc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000824029926 607876232 /nfs/dbraw/zinc/87/62/32/607876232.db2.gz VOJDXDYGCXCSDU-CYBMUJFWSA-N -1 3 399.363 1.796 20 5 GDBDHM COC(=O)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111307 607983247 /nfs/dbraw/zinc/98/32/47/607983247.db2.gz CRVLVYMZLVHQDA-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM COC(=O)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111307 607983248 /nfs/dbraw/zinc/98/32/48/607983248.db2.gz CRVLVYMZLVHQDA-MRXNPFEDSA-N -1 3 382.380 1.821 20 5 GDBDHM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826498322 608002230 /nfs/dbraw/zinc/00/22/30/608002230.db2.gz PPEJHEDTSPWAOK-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826498322 608002231 /nfs/dbraw/zinc/00/22/31/608002231.db2.gz PPEJHEDTSPWAOK-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000826502156 608125347 /nfs/dbraw/zinc/12/53/47/608125347.db2.gz WYFCDIRHFMZXHH-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826502156 608125348 /nfs/dbraw/zinc/12/53/48/608125348.db2.gz WYFCDIRHFMZXHH-UHFFFAOYSA-N -1 3 383.299 1.779 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826362907 608160266 /nfs/dbraw/zinc/16/02/66/608160266.db2.gz NVJXNXBLKIKKBU-UHFFFAOYSA-N -1 3 392.719 1.927 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826362907 608160267 /nfs/dbraw/zinc/16/02/67/608160267.db2.gz NVJXNXBLKIKKBU-UHFFFAOYSA-N -1 3 392.719 1.927 20 5 GDBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000825797196 608280239 /nfs/dbraw/zinc/28/02/39/608280239.db2.gz YCBLJRHMEABKPA-UHFFFAOYSA-N -1 3 382.344 1.130 20 5 GDBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000825797196 608280241 /nfs/dbraw/zinc/28/02/41/608280241.db2.gz YCBLJRHMEABKPA-UHFFFAOYSA-N -1 3 382.344 1.130 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000826273248 608308620 /nfs/dbraw/zinc/30/86/20/608308620.db2.gz VICLWUVLTOHOQK-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000826273248 608308622 /nfs/dbraw/zinc/30/86/22/608308622.db2.gz VICLWUVLTOHOQK-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000826171909 608343772 /nfs/dbraw/zinc/34/37/72/608343772.db2.gz DQYTVHXOTWRHJJ-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000826171909 608343775 /nfs/dbraw/zinc/34/37/75/608343775.db2.gz DQYTVHXOTWRHJJ-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826366636 608344188 /nfs/dbraw/zinc/34/41/88/608344188.db2.gz RHZFLUIEXYQCEX-UHFFFAOYSA-N -1 3 398.383 1.192 20 5 GDBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826443862 608812754 /nfs/dbraw/zinc/81/27/54/608812754.db2.gz HIPBKECPXFAFMD-UHFFFAOYSA-N -1 3 379.340 1.423 20 5 GDBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826443862 608812755 /nfs/dbraw/zinc/81/27/55/608812755.db2.gz HIPBKECPXFAFMD-UHFFFAOYSA-N -1 3 379.340 1.423 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826117840 609350077 /nfs/dbraw/zinc/35/00/77/609350077.db2.gz SXGQOINRDPCMEN-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826117840 609350079 /nfs/dbraw/zinc/35/00/79/609350079.db2.gz SXGQOINRDPCMEN-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826498380 609546479 /nfs/dbraw/zinc/54/64/79/609546479.db2.gz SFULVRLTTDUJNJ-UHFFFAOYSA-N -1 3 393.356 1.865 20 5 GDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826498380 609546481 /nfs/dbraw/zinc/54/64/81/609546481.db2.gz SFULVRLTTDUJNJ-UHFFFAOYSA-N -1 3 393.356 1.865 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn(CC(F)(F)F)c2)c(F)c1 ZINC000531912043 650001871 /nfs/dbraw/zinc/00/18/71/650001871.db2.gz UTXYUXAEWXSQSC-UHFFFAOYSA-N -1 3 382.295 1.971 20 5 GDBDHM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000539951773 650344546 /nfs/dbraw/zinc/34/45/46/650344546.db2.gz YLXANSFBVCOETC-UHFFFAOYSA-N -1 3 387.757 1.936 20 5 GDBDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000567777433 650920363 /nfs/dbraw/zinc/92/03/63/650920363.db2.gz FUMYULIFRMKGIS-NXEZZACHSA-N -1 3 381.204 1.049 20 5 GDBDHM CN1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1=O ZINC000173187174 644888819 /nfs/dbraw/zinc/88/88/19/644888819.db2.gz SURYIRPFQCMJED-MRVPVSSYSA-N -1 3 392.231 1.256 20 5 GDBDHM CNS(=O)(=O)c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000480310535 647842955 /nfs/dbraw/zinc/84/29/55/647842955.db2.gz OHDMFQUARXUXLG-UHFFFAOYSA-N -1 3 380.308 1.252 20 5 GDBDHM COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000595402259 652417181 /nfs/dbraw/zinc/41/71/81/652417181.db2.gz XEPKADZEXAMHLZ-ZKCHVHJHSA-N -1 3 393.215 1.587 20 5 GDBDHM Cn1ncc(C(F)(F)F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000599370336 652487364 /nfs/dbraw/zinc/48/73/64/652487364.db2.gz SQPRMVMIWZJPKX-UHFFFAOYSA-N -1 3 382.295 1.965 20 5 GDBDHM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610409375 652883424 /nfs/dbraw/zinc/88/34/24/652883424.db2.gz RUNGCAUHYIMZKF-SNVBAGLBSA-N -1 3 392.275 1.977 20 5 GDBDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1F ZINC000771165370 654531060 /nfs/dbraw/zinc/53/10/60/654531060.db2.gz ZMDVBGDWFXYMEP-UHFFFAOYSA-N -1 3 390.370 1.873 20 5 GDBDHM NC(=O)CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000775579781 654669017 /nfs/dbraw/zinc/66/90/17/654669017.db2.gz ZCZRKAAYEDPUFX-UHFFFAOYSA-N -1 3 380.220 1.291 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2=O)c1 ZINC000779904497 654772849 /nfs/dbraw/zinc/77/28/49/654772849.db2.gz FOAIZIGEYIRFMT-SECBINFHSA-N -1 3 389.817 1.371 20 5 GDBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000831805025 654998229 /nfs/dbraw/zinc/99/82/29/654998229.db2.gz RNBAITJIKSLAJH-LBPRGKRZSA-N -1 3 377.850 1.373 20 5 GDBDHM CCN1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1=O ZINC000832266125 655025039 /nfs/dbraw/zinc/02/50/39/655025039.db2.gz VIADNZIXDYAUGT-QMMMGPOBSA-N -1 3 392.231 1.256 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2=CCCOC2)c1 ZINC000805139022 655028731 /nfs/dbraw/zinc/02/87/31/655028731.db2.gz MSGLTROTEIMNSL-UHFFFAOYSA-N -1 3 377.216 1.982 20 5 GDBDHM O=C(Nc1cn2cc(Br)ncc2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816307762 655324242 /nfs/dbraw/zinc/32/42/42/655324242.db2.gz FRBAUKQIINTTLR-UHFFFAOYSA-N -1 3 379.130 1.753 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)c(F)c1 ZINC000849421500 655532094 /nfs/dbraw/zinc/53/20/94/655532094.db2.gz QEDXRWSDJLCNHZ-QFIPXVFZSA-N -1 3 378.325 1.323 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)c(Cl)c1 ZINC000849421627 655532101 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381.204 1.049 20 5 GDBDHM Cc1c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000737220369 598870749 /nfs/dbraw/zinc/87/07/49/598870749.db2.gz VQXWMIURRQMFKV-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000737220369 598870750 /nfs/dbraw/zinc/87/07/50/598870750.db2.gz VQXWMIURRQMFKV-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cn1cc([C@@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822669993 599042000 /nfs/dbraw/zinc/04/20/00/599042000.db2.gz XSPOTVWOCFMGKB-AWEZNQCLSA-N -1 3 381.356 1.202 20 5 GDBDHM Cn1cc([C@@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822669993 599042003 /nfs/dbraw/zinc/04/20/03/599042003.db2.gz XSPOTVWOCFMGKB-AWEZNQCLSA-N -1 3 381.356 1.202 20 5 GDBDHM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000737375945 599043086 /nfs/dbraw/zinc/04/30/86/599043086.db2.gz GGTUBSOZXYNOMC-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000737375945 599043089 /nfs/dbraw/zinc/04/30/89/599043089.db2.gz GGTUBSOZXYNOMC-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1[N+](=O)[O-] ZINC000737437224 599052133 /nfs/dbraw/zinc/05/21/33/599052133.db2.gz MMLWQWSALULQPI-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738211433 599109827 /nfs/dbraw/zinc/10/98/27/599109827.db2.gz NIUFRLZLSLFRHF-UHFFFAOYSA-N -1 3 378.312 1.207 20 5 GDBDHM Cc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737315157 599110939 /nfs/dbraw/zinc/11/09/39/599110939.db2.gz KHIYSJRLSXAVOW-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737315157 599110940 /nfs/dbraw/zinc/11/09/40/599110940.db2.gz KHIYSJRLSXAVOW-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1sc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737561357 599118536 /nfs/dbraw/zinc/11/85/36/599118536.db2.gz HTUMBJPORXMYCE-GFCCVEGCSA-N -1 3 388.365 1.528 20 5 GDBDHM Cc1sc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737561357 599118537 /nfs/dbraw/zinc/11/85/37/599118537.db2.gz HTUMBJPORXMYCE-GFCCVEGCSA-N -1 3 388.365 1.528 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000823639889 599153998 /nfs/dbraw/zinc/15/39/98/599153998.db2.gz KSYBFARWDAJIFD-UHFFFAOYSA-N -1 3 397.355 1.405 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000823639889 599154001 /nfs/dbraw/zinc/15/40/01/599154001.db2.gz KSYBFARWDAJIFD-UHFFFAOYSA-N -1 3 397.355 1.405 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737920319 599221268 /nfs/dbraw/zinc/22/12/68/599221268.db2.gz RHYLKOQAEGDVTJ-UHFFFAOYSA-N -1 3 384.352 1.349 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822045731 607273960 /nfs/dbraw/zinc/27/39/60/607273960.db2.gz SLEDWPDPEMCVKU-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822045731 607273961 /nfs/dbraw/zinc/27/39/61/607273961.db2.gz SLEDWPDPEMCVKU-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823118583 607304859 /nfs/dbraw/zinc/30/48/59/607304859.db2.gz GRICSJGAPOATIS-UHFFFAOYSA-N -1 3 375.732 1.229 20 5 GDBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823118583 607304860 /nfs/dbraw/zinc/30/48/60/607304860.db2.gz GRICSJGAPOATIS-UHFFFAOYSA-N -1 3 375.732 1.229 20 5 GDBDHM NC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737760040 599269757 /nfs/dbraw/zinc/26/97/57/599269757.db2.gz NNFLRIXWMRNBQT-UHFFFAOYSA-N -1 3 394.395 1.200 20 5 GDBDHM NC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737760040 599269759 /nfs/dbraw/zinc/26/97/59/599269759.db2.gz NNFLRIXWMRNBQT-UHFFFAOYSA-N -1 3 394.395 1.200 20 5 GDBDHM CC(=O)NCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000819769808 597704614 /nfs/dbraw/zinc/70/46/14/597704614.db2.gz ASQMJFMUWKBIGI-VIFPVBQESA-N -1 3 388.218 1.769 20 5 GDBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000736171932 598325560 /nfs/dbraw/zinc/32/55/60/598325560.db2.gz ZWGVUAFWPGNUAL-LBPRGKRZSA-N -1 3 397.395 1.771 20 5 GDBDHM Cc1nc(CN2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)no1 ZINC000737477734 598336885 /nfs/dbraw/zinc/33/68/85/598336885.db2.gz NPEMKCIDKQQGPY-UHFFFAOYSA-N -1 3 385.388 1.179 20 5 GDBDHM Cc1nc(CN2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)no1 ZINC000737477734 598336886 /nfs/dbraw/zinc/33/68/86/598336886.db2.gz NPEMKCIDKQQGPY-UHFFFAOYSA-N -1 3 385.388 1.179 20 5 GDBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000737892633 598410509 /nfs/dbraw/zinc/41/05/09/598410509.db2.gz YARRELARCCZFGX-UHFFFAOYSA-N -1 3 382.336 1.248 20 5 GDBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000737892633 598410510 /nfs/dbraw/zinc/41/05/10/598410510.db2.gz YARRELARCCZFGX-UHFFFAOYSA-N -1 3 382.336 1.248 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737411574 598560834 /nfs/dbraw/zinc/56/08/34/598560834.db2.gz MIGAYVRYBJMCCQ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737411574 598560836 /nfs/dbraw/zinc/56/08/36/598560836.db2.gz MIGAYVRYBJMCCQ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737985834 598587077 /nfs/dbraw/zinc/58/70/77/598587077.db2.gz QTXMTBFLIJEWOE-UHFFFAOYSA-N -1 3 382.315 1.902 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737985834 598587079 /nfs/dbraw/zinc/58/70/79/598587079.db2.gz QTXMTBFLIJEWOE-UHFFFAOYSA-N -1 3 382.315 1.902 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cc([N+](=O)[O-])ccc1Cl ZINC000738206426 598617659 /nfs/dbraw/zinc/61/76/59/598617659.db2.gz HLHHVZTWINWLLB-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cc([N+](=O)[O-])ccc1Cl ZINC000738206426 598617661 /nfs/dbraw/zinc/61/76/61/598617661.db2.gz HLHHVZTWINWLLB-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(CCN2CCOCC2)c1 ZINC000738359466 598673865 /nfs/dbraw/zinc/67/38/65/598673865.db2.gz RRIMKKBAXFWWPC-UHFFFAOYSA-N -1 3 385.388 1.047 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820438834 599324469 /nfs/dbraw/zinc/32/44/69/599324469.db2.gz XRCZVEQJBCVKLH-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438834 599324471 /nfs/dbraw/zinc/32/44/71/599324471.db2.gz XRCZVEQJBCVKLH-LLVKDONJSA-N -1 3 388.409 1.956 20 5 GDBDHM CCC(=O)N1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820836583 599487008 /nfs/dbraw/zinc/48/70/08/599487008.db2.gz BTZIJZHWLXUVRR-UHFFFAOYSA-N -1 3 396.411 1.772 20 5 GDBDHM CCC(=O)N1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820836583 599487009 /nfs/dbraw/zinc/48/70/09/599487009.db2.gz BTZIJZHWLXUVRR-UHFFFAOYSA-N -1 3 396.411 1.772 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821740699 607418418 /nfs/dbraw/zinc/41/84/18/607418418.db2.gz AOHAUASYRFKXIL-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821740699 607418420 /nfs/dbraw/zinc/41/84/20/607418420.db2.gz AOHAUASYRFKXIL-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000826497959 607465827 /nfs/dbraw/zinc/46/58/27/607465827.db2.gz APQPKSAJLWHFNQ-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC000826497959 607465828 /nfs/dbraw/zinc/46/58/28/607465828.db2.gz APQPKSAJLWHFNQ-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=C([O-])C[C@@H]1CSCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833221393 601018440 /nfs/dbraw/zinc/01/84/40/601018440.db2.gz KUEOLIVSNMRORG-GFCCVEGCSA-N -1 3 381.410 1.785 20 5 GDBDHM CCN1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000825443759 607522584 /nfs/dbraw/zinc/52/25/84/607522584.db2.gz FLLSLHDAYSFLKI-MRVPVSSYSA-N -1 3 379.764 1.235 20 5 GDBDHM CCN1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000825443759 607522585 /nfs/dbraw/zinc/52/25/85/607522585.db2.gz FLLSLHDAYSFLKI-MRVPVSSYSA-N -1 3 379.764 1.235 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826499679 607553917 /nfs/dbraw/zinc/55/39/17/607553917.db2.gz SCUIWRDPYCPVTH-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826499679 607553919 /nfs/dbraw/zinc/55/39/19/607553919.db2.gz SCUIWRDPYCPVTH-INIZCTEOSA-N -1 3 396.411 1.026 20 5 GDBDHM C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824633015 607742299 /nfs/dbraw/zinc/74/22/99/607742299.db2.gz GKBPZLCDGRAHRU-NSHDSACASA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824633015 607742300 /nfs/dbraw/zinc/74/23/00/607742300.db2.gz GKBPZLCDGRAHRU-NSHDSACASA-N -1 3 388.409 1.956 20 5 GDBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821695274 606136187 /nfs/dbraw/zinc/13/61/87/606136187.db2.gz QGBVLXCHZNAAHD-UHFFFAOYSA-N -1 3 396.411 1.643 20 5 GDBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821695274 606136188 /nfs/dbraw/zinc/13/61/88/606136188.db2.gz QGBVLXCHZNAAHD-UHFFFAOYSA-N -1 3 396.411 1.643 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648648 606368840 /nfs/dbraw/zinc/36/88/40/606368840.db2.gz OWCFGKFSRIOZNG-CQSZACIVSA-N -1 3 398.335 1.549 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648648 606368841 /nfs/dbraw/zinc/36/88/41/606368841.db2.gz OWCFGKFSRIOZNG-CQSZACIVSA-N -1 3 398.335 1.549 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ncccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645074 606461212 /nfs/dbraw/zinc/46/12/12/606461212.db2.gz NLHKIKSDBFBPIK-UHFFFAOYSA-N -1 3 378.356 1.637 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ncccn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645074 606461214 /nfs/dbraw/zinc/46/12/14/606461214.db2.gz NLHKIKSDBFBPIK-UHFFFAOYSA-N -1 3 378.356 1.637 20 5 GDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000823093104 606492241 /nfs/dbraw/zinc/49/22/41/606492241.db2.gz UWVSLDFTGRAZJF-UHFFFAOYSA-N -1 3 393.407 1.666 20 5 GDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000823093104 606492242 /nfs/dbraw/zinc/49/22/42/606492242.db2.gz UWVSLDFTGRAZJF-UHFFFAOYSA-N -1 3 393.407 1.666 20 5 GDBDHM O=C(O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc([N+](=O)[O-])cn1 ZINC000823392212 606797300 /nfs/dbraw/zinc/79/73/00/606797300.db2.gz NONUMNUKZNGHQB-CQSZACIVSA-N -1 3 395.335 1.132 20 5 GDBDHM O=C(O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc([N+](=O)[O-])cn1 ZINC000823392212 606797302 /nfs/dbraw/zinc/79/73/02/606797302.db2.gz NONUMNUKZNGHQB-CQSZACIVSA-N -1 3 395.335 1.132 20 5 GDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822907254 606899921 /nfs/dbraw/zinc/89/99/21/606899921.db2.gz DKJFCNIPVSRRMW-UHFFFAOYSA-N -1 3 388.315 1.732 20 5 GDBDHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000820628846 606912242 /nfs/dbraw/zinc/91/22/42/606912242.db2.gz PDWCJTSHAMUISB-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000820628846 606912244 /nfs/dbraw/zinc/91/22/44/606912244.db2.gz PDWCJTSHAMUISB-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM Cc1nn(-c2ccccc2)c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822486249 607039803 /nfs/dbraw/zinc/03/98/03/607039803.db2.gz CYKXPVGOYYYAPS-UHFFFAOYSA-N -1 3 378.352 1.479 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000822222960 607049729 /nfs/dbraw/zinc/04/97/29/607049729.db2.gz ZIHUTIKVVQREET-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000822222960 607049730 /nfs/dbraw/zinc/04/97/30/607049730.db2.gz ZIHUTIKVVQREET-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1nn(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1[N+](=O)[O-] ZINC000822500681 607246354 /nfs/dbraw/zinc/24/63/54/607246354.db2.gz BEOQOWHKMJDHCD-UHFFFAOYSA-N -1 3 375.320 1.723 20 5 GDBDHM Cc1nn(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1[N+](=O)[O-] ZINC000822500681 607246355 /nfs/dbraw/zinc/24/63/55/607246355.db2.gz BEOQOWHKMJDHCD-UHFFFAOYSA-N -1 3 375.320 1.723 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COCc1cccs1 ZINC000826497918 607873598 /nfs/dbraw/zinc/87/35/98/607873598.db2.gz YPUCSMZVBZDROS-LLVKDONJSA-N -1 3 377.382 1.793 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COCc1cccs1 ZINC000826497918 607873599 /nfs/dbraw/zinc/87/35/99/607873599.db2.gz YPUCSMZVBZDROS-LLVKDONJSA-N -1 3 377.382 1.793 20 5 GDBDHM O=[N+]([O-])c1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826499126 607874404 /nfs/dbraw/zinc/87/44/04/607874404.db2.gz WUXZMPNRYDZYSO-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COCc1ccccc1F ZINC000826499649 607876845 /nfs/dbraw/zinc/87/68/45/607876845.db2.gz QZPOABNZDWPWFH-LBPRGKRZSA-N -1 3 389.343 1.871 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COCc1ccccc1F ZINC000826499649 607876846 /nfs/dbraw/zinc/87/68/46/607876846.db2.gz QZPOABNZDWPWFH-LBPRGKRZSA-N -1 3 389.343 1.871 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826411163 607943107 /nfs/dbraw/zinc/94/31/07/607943107.db2.gz NNCMTFSAPSUZLZ-UHFFFAOYSA-N -1 3 393.407 1.449 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826411163 607943108 /nfs/dbraw/zinc/94/31/08/607943108.db2.gz NNCMTFSAPSUZLZ-UHFFFAOYSA-N -1 3 393.407 1.449 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826499911 607943337 /nfs/dbraw/zinc/94/33/37/607943337.db2.gz DMALOOYVMGFAJU-HNNXBMFYSA-N -1 3 396.407 1.573 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824009925 607971453 /nfs/dbraw/zinc/97/14/53/607971453.db2.gz FMSACOLSVCTRGF-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824009925 607971454 /nfs/dbraw/zinc/97/14/54/607971454.db2.gz FMSACOLSVCTRGF-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000826174496 608261382 /nfs/dbraw/zinc/26/13/82/608261382.db2.gz ZHFLLKZDSXKQSD-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000826174496 608261383 /nfs/dbraw/zinc/26/13/83/608261383.db2.gz ZHFLLKZDSXKQSD-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC000824498640 608405270 /nfs/dbraw/zinc/40/52/70/608405270.db2.gz JFGUOJBTCRSHMJ-LLVKDONJSA-N -1 3 397.399 1.642 20 5 GDBDHM C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1[N+](=O)[O-] ZINC000824498640 608405273 /nfs/dbraw/zinc/40/52/73/608405273.db2.gz JFGUOJBTCRSHMJ-LLVKDONJSA-N -1 3 397.399 1.642 20 5 GDBDHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826429767 608544982 /nfs/dbraw/zinc/54/49/82/608544982.db2.gz MQYWFWCSXAIYBQ-UHFFFAOYSA-N -1 3 398.383 1.618 20 5 GDBDHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826429767 608544984 /nfs/dbraw/zinc/54/49/84/608544984.db2.gz MQYWFWCSXAIYBQ-UHFFFAOYSA-N -1 3 398.383 1.618 20 5 GDBDHM 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/nfs/dbraw/zinc/62/30/04/531623004.db2.gz SFLABHWEQLUNAH-MRVPVSSYSA-N -1 3 386.304 1.080 20 5 GDBDHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416491631 531646250 /nfs/dbraw/zinc/64/62/50/531646250.db2.gz YPTLGLMJFORTLG-GFCCVEGCSA-N -1 3 386.348 1.679 20 5 GDBDHM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416496316 531647420 /nfs/dbraw/zinc/64/74/20/531647420.db2.gz OUQVVHFUXYVDGV-APPZFPTMSA-N -1 3 381.332 1.546 20 5 GDBDHM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000590761306 531698004 /nfs/dbraw/zinc/69/80/04/531698004.db2.gz YBWHDASXYCCQCW-KOLCDFICSA-N -1 3 376.362 1.363 20 5 GDBDHM COc1ccc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CCC2)c([N+](=O)[O-])c1 ZINC000416633366 531717280 /nfs/dbraw/zinc/71/72/80/531717280.db2.gz OZZNFXJFCAXBKK-UHFFFAOYSA-N -1 3 392.455 1.097 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1CCS(=O)(=O)CC1 ZINC000507962455 531756627 /nfs/dbraw/zinc/75/66/27/531756627.db2.gz DBPGQXYHRFYILG-UHFFFAOYSA-N -1 3 376.456 1.396 20 5 GDBDHM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000282428950 531751939 /nfs/dbraw/zinc/75/19/39/531751939.db2.gz FWSDRRKPTZNIRJ-RDDDGLTNSA-N -1 3 392.231 1.160 20 5 GDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCSCC1 ZINC000270205475 531840454 /nfs/dbraw/zinc/84/04/54/531840454.db2.gz CZWMOQMTNBUQQH-UHFFFAOYSA-N -1 3 390.439 1.321 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1CC(F)(F)C1 ZINC000457181069 531949610 /nfs/dbraw/zinc/94/96/10/531949610.db2.gz JXNBUXKQGXQHOQ-UHFFFAOYSA-N -1 3 377.369 1.425 20 5 GDBDHM CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000284685618 531980263 /nfs/dbraw/zinc/98/02/63/531980263.db2.gz OLEMZAYFPLXMSN-RNCFNFMXSA-N -1 3 380.850 1.685 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000284724875 531984053 /nfs/dbraw/zinc/98/40/53/531984053.db2.gz RRGLDEDDVVWHJT-YGRLFVJLSA-N -1 3 376.431 1.040 20 5 GDBDHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271705794 532043589 /nfs/dbraw/zinc/04/35/89/532043589.db2.gz OMAYEZGISUGDMN-WRWORJQWSA-N -1 3 399.288 1.748 20 5 GDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286618810 532164270 /nfs/dbraw/zinc/16/42/70/532164270.db2.gz HXEYTIBHMTYTJM-JTQLQIEISA-N -1 3 396.874 1.660 20 5 GDBDHM COC(=O)Cc1nc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000431339978 532265167 /nfs/dbraw/zinc/26/51/67/532265167.db2.gz BJYQFRWAFOFBKD-UHFFFAOYSA-N -1 3 384.146 1.443 20 5 GDBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@H]1OC ZINC000275347294 532288392 /nfs/dbraw/zinc/28/83/92/532288392.db2.gz GCKUMISMQMOCEE-MPKXVKKWSA-N -1 3 378.378 1.213 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ncn(C)n1 ZINC000275668762 532305371 /nfs/dbraw/zinc/30/53/71/532305371.db2.gz NUWNNOUBLZTROF-SSDOTTSWSA-N -1 3 390.219 1.525 20 5 GDBDHM CN(Cc1ccc(S(C)(=O)=O)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736820094 598973948 /nfs/dbraw/zinc/97/39/48/598973948.db2.gz LSVPLFBOHRQRKC-UHFFFAOYSA-N -1 3 389.397 1.210 20 5 GDBDHM CN(Cc1ccc(S(C)(=O)=O)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736820094 598973949 /nfs/dbraw/zinc/97/39/49/598973949.db2.gz LSVPLFBOHRQRKC-UHFFFAOYSA-N -1 3 389.397 1.210 20 5 GDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820778408 599043978 /nfs/dbraw/zinc/04/39/78/599043978.db2.gz WKGXUAHQVYSWNX-SNVBAGLBSA-N -1 3 390.404 1.616 20 5 GDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820778408 599043981 /nfs/dbraw/zinc/04/39/81/599043981.db2.gz WKGXUAHQVYSWNX-SNVBAGLBSA-N -1 3 390.404 1.616 20 5 GDBDHM Cn1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)n1 ZINC000822689537 599066853 /nfs/dbraw/zinc/06/68/53/599066853.db2.gz LDCUMPXRFRYLGV-ZDUSSCGKSA-N -1 3 383.372 1.116 20 5 GDBDHM Cn1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2=O)n1 ZINC000822689537 599066856 /nfs/dbraw/zinc/06/68/56/599066856.db2.gz LDCUMPXRFRYLGV-ZDUSSCGKSA-N -1 3 383.372 1.116 20 5 GDBDHM COCCOC[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821691729 599085393 /nfs/dbraw/zinc/08/53/93/599085393.db2.gz BYSAIVQDQJCSSU-GFCCVEGCSA-N -1 3 399.411 1.812 20 5 GDBDHM COCCOC[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821691729 599085396 /nfs/dbraw/zinc/08/53/96/599085396.db2.gz BYSAIVQDQJCSSU-GFCCVEGCSA-N -1 3 399.411 1.812 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737373227 599125789 /nfs/dbraw/zinc/12/57/89/599125789.db2.gz QEATYFTXUZUTTB-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737373227 599125792 /nfs/dbraw/zinc/12/57/92/599125792.db2.gz QEATYFTXUZUTTB-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM COC(=O)c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC ZINC000821666960 599144280 /nfs/dbraw/zinc/14/42/80/599144280.db2.gz NTEHXJMCDQSZMT-UHFFFAOYSA-N -1 3 385.340 1.577 20 5 GDBDHM COC(=O)c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC ZINC000821666960 599144282 /nfs/dbraw/zinc/14/42/82/599144282.db2.gz NTEHXJMCDQSZMT-UHFFFAOYSA-N -1 3 385.340 1.577 20 5 GDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737850207 599215921 /nfs/dbraw/zinc/21/59/21/599215921.db2.gz MRVGEQHWEQINEY-UHFFFAOYSA-N -1 3 398.379 1.739 20 5 GDBDHM COCCNc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000821691299 599225670 /nfs/dbraw/zinc/22/56/70/599225670.db2.gz PGBSZJJSTUWYLS-UHFFFAOYSA-N -1 3 381.403 1.231 20 5 GDBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000736181831 599230402 /nfs/dbraw/zinc/23/04/02/599230402.db2.gz BKFDADOKZKWVIR-GFCCVEGCSA-N -1 3 382.380 1.901 20 5 GDBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000736181831 599230405 /nfs/dbraw/zinc/23/04/05/599230405.db2.gz BKFDADOKZKWVIR-GFCCVEGCSA-N -1 3 382.380 1.901 20 5 GDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Br ZINC000738198557 599253513 /nfs/dbraw/zinc/25/35/13/599253513.db2.gz VIRMMKKHPDRRAZ-UHFFFAOYSA-N -1 3 390.157 1.607 20 5 GDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Br ZINC000738198557 599253515 /nfs/dbraw/zinc/25/35/15/599253515.db2.gz VIRMMKKHPDRRAZ-UHFFFAOYSA-N -1 3 390.157 1.607 20 5 GDBDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822699105 607305831 /nfs/dbraw/zinc/30/58/31/607305831.db2.gz OJHOCXORTCVAQI-ABAIWWIYSA-N -1 3 384.400 1.458 20 5 GDBDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822699105 607305832 /nfs/dbraw/zinc/30/58/32/607305832.db2.gz OJHOCXORTCVAQI-ABAIWWIYSA-N -1 3 384.400 1.458 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)OCCO4)cc(-c3nnn[n-]3)c2c1 ZINC000738366970 599268552 /nfs/dbraw/zinc/26/85/52/599268552.db2.gz LQLQOBPLNDRMLY-UHFFFAOYSA-N -1 3 383.368 1.666 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)OCCO4)cc(-c3nn[n-]n3)c2c1 ZINC000738366970 599268554 /nfs/dbraw/zinc/26/85/54/599268554.db2.gz LQLQOBPLNDRMLY-UHFFFAOYSA-N -1 3 383.368 1.666 20 5 GDBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735635925 598246530 /nfs/dbraw/zinc/24/65/30/598246530.db2.gz KZNJFJSRCLZFQO-JTQLQIEISA-N -1 3 390.404 1.521 20 5 GDBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735635925 598246532 /nfs/dbraw/zinc/24/65/32/598246532.db2.gz KZNJFJSRCLZFQO-JTQLQIEISA-N -1 3 390.404 1.521 20 5 GDBDHM CN(C[C@@H]1CCCN1c1cccnn1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736792497 598334704 /nfs/dbraw/zinc/33/47/04/598334704.db2.gz DZJMMMIGFKBZDY-ZDUSSCGKSA-N -1 3 381.400 1.670 20 5 GDBDHM CN(C[C@@H]1CCCN1c1cccnn1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736792497 598334706 /nfs/dbraw/zinc/33/47/06/598334706.db2.gz DZJMMMIGFKBZDY-ZDUSSCGKSA-N -1 3 381.400 1.670 20 5 GDBDHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736105534 598402773 /nfs/dbraw/zinc/40/27/73/598402773.db2.gz OMGUDXUVHMKHRJ-LLVKDONJSA-N -1 3 395.379 1.382 20 5 GDBDHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736105534 598402774 /nfs/dbraw/zinc/40/27/74/598402774.db2.gz OMGUDXUVHMKHRJ-LLVKDONJSA-N -1 3 395.379 1.382 20 5 GDBDHM O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-c2nnn[n-]2)cn1 ZINC000738144988 598441342 /nfs/dbraw/zinc/44/13/42/598441342.db2.gz PQEZCYMPIPPGIM-UHFFFAOYSA-N -1 3 383.324 1.584 20 5 GDBDHM O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738144988 598441344 /nfs/dbraw/zinc/44/13/44/598441344.db2.gz PQEZCYMPIPPGIM-UHFFFAOYSA-N -1 3 383.324 1.584 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735633321 598498598 /nfs/dbraw/zinc/49/85/98/598498598.db2.gz OPVUPSSQYDXFBV-JTQLQIEISA-N -1 3 390.404 1.663 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735633321 598498600 /nfs/dbraw/zinc/49/86/00/598498600.db2.gz OPVUPSSQYDXFBV-JTQLQIEISA-N -1 3 390.404 1.663 20 5 GDBDHM COc1ccc(CC(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737089234 598531767 /nfs/dbraw/zinc/53/17/67/598531767.db2.gz WCFABMMYBPSAJB-UHFFFAOYSA-N -1 3 399.363 1.948 20 5 GDBDHM COc1ccc(CC(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737089234 598531768 /nfs/dbraw/zinc/53/17/68/598531768.db2.gz WCFABMMYBPSAJB-UHFFFAOYSA-N -1 3 399.363 1.948 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000738367938 598560733 /nfs/dbraw/zinc/56/07/33/598560733.db2.gz XHGWAPGWTHLFRY-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC000738367938 598560734 /nfs/dbraw/zinc/56/07/34/598560734.db2.gz XHGWAPGWTHLFRY-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000737023523 598581550 /nfs/dbraw/zinc/58/15/50/598581550.db2.gz HNMDIWHZGBKQPQ-HNNXBMFYSA-N -1 3 396.363 1.968 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000737023523 598581552 /nfs/dbraw/zinc/58/15/52/598581552.db2.gz HNMDIWHZGBKQPQ-HNNXBMFYSA-N -1 3 396.363 1.968 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826212222 607360829 /nfs/dbraw/zinc/36/08/29/607360829.db2.gz KKOWNYFKAGEVGA-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826212222 607360831 /nfs/dbraw/zinc/36/08/31/607360831.db2.gz KKOWNYFKAGEVGA-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COc1cc(C)nc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000737041513 598673652 /nfs/dbraw/zinc/67/36/52/598673652.db2.gz VVMQZZAGYYNGOA-UHFFFAOYSA-N -1 3 397.399 1.209 20 5 GDBDHM COc1cc(C)nc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000737041513 598673653 /nfs/dbraw/zinc/67/36/53/598673653.db2.gz VVMQZZAGYYNGOA-UHFFFAOYSA-N -1 3 397.399 1.209 20 5 GDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000738366915 598694051 /nfs/dbraw/zinc/69/40/51/598694051.db2.gz KPWWKWOSQQRZMX-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM CC(=O)Nc1cccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735487881 598795402 /nfs/dbraw/zinc/79/54/02/598795402.db2.gz AEUMDEYVHZQVAF-UHFFFAOYSA-N -1 3 384.356 1.619 20 5 GDBDHM CC(=O)Nc1cccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735487881 598795403 /nfs/dbraw/zinc/79/54/03/598795403.db2.gz AEUMDEYVHZQVAF-UHFFFAOYSA-N -1 3 384.356 1.619 20 5 GDBDHM NC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000737731537 598799331 /nfs/dbraw/zinc/79/93/31/598799331.db2.gz SSMHWSPCYRDMGG-LBPRGKRZSA-N -1 3 385.359 1.670 20 5 GDBDHM NC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000737731537 598799332 /nfs/dbraw/zinc/79/93/32/598799332.db2.gz SSMHWSPCYRDMGG-LBPRGKRZSA-N 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O=C(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000823014668 599399969 /nfs/dbraw/zinc/39/99/69/599399969.db2.gz SMZRRJRGQJWVJF-UHFFFAOYSA-N -1 3 376.283 1.499 20 5 GDBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)CN1CCOCC1 ZINC000820276189 599565638 /nfs/dbraw/zinc/56/56/38/599565638.db2.gz UFISGRBUWJOEII-GFCCVEGCSA-N -1 3 398.427 1.703 20 5 GDBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)CN1CCOCC1 ZINC000820276189 599565640 /nfs/dbraw/zinc/56/56/40/599565640.db2.gz UFISGRBUWJOEII-GFCCVEGCSA-N -1 3 398.427 1.703 20 5 GDBDHM COc1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826201357 607581544 /nfs/dbraw/zinc/58/15/44/607581544.db2.gz MCKIKJXKRFHXGU-UHFFFAOYSA-N -1 3 384.352 1.722 20 5 GDBDHM COc1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826201357 607581546 /nfs/dbraw/zinc/58/15/46/607581546.db2.gz MCKIKJXKRFHXGU-UHFFFAOYSA-N -1 3 384.352 1.722 20 5 GDBDHM CN(C(=O)[O-])C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000737938277 602990705 /nfs/dbraw/zinc/99/07/05/602990705.db2.gz VCKIAWNJFLSLJL-UHFFFAOYSA-N -1 3 378.385 1.967 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)C1Cc2ccccc2C1 ZINC000823629706 606235135 /nfs/dbraw/zinc/23/51/35/606235135.db2.gz FJOGOMURTHNLIP-UHFFFAOYSA-N -1 3 387.377 1.651 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)C1Cc2ccccc2C1 ZINC000823629706 606235136 /nfs/dbraw/zinc/23/51/36/606235136.db2.gz FJOGOMURTHNLIP-UHFFFAOYSA-N -1 3 387.377 1.651 20 5 GDBDHM C[C@@H](CCS(C)(=O)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820248638 606793184 /nfs/dbraw/zinc/79/31/84/606793184.db2.gz LTGIUTMWLKKVLT-VIFPVBQESA-N -1 3 391.413 1.558 20 5 GDBDHM C[C@@H](CCS(C)(=O)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820248638 606793186 /nfs/dbraw/zinc/79/31/86/606793186.db2.gz LTGIUTMWLKKVLT-VIFPVBQESA-N -1 3 391.413 1.558 20 5 GDBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000819976021 607171872 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JFEWEGWAJUWSAN-OAHLLOKOSA-N -1 3 381.396 1.886 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470668 607946708 /nfs/dbraw/zinc/94/67/08/607946708.db2.gz YEROAHZUYZUSOZ-UHFFFAOYSA-N -1 3 394.347 1.749 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470668 607946709 /nfs/dbraw/zinc/94/67/09/607946709.db2.gz YEROAHZUYZUSOZ-UHFFFAOYSA-N -1 3 394.347 1.749 20 5 GDBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826464243 608058917 /nfs/dbraw/zinc/05/89/17/608058917.db2.gz ONLGOXBWUMDXKS-UHFFFAOYSA-N -1 3 392.278 1.072 20 5 GDBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826464243 608058918 /nfs/dbraw/zinc/05/89/18/608058918.db2.gz ONLGOXBWUMDXKS-UHFFFAOYSA-N -1 3 392.278 1.072 20 5 GDBDHM O=[N+]([O-])c1cccc([C@H](O)CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826499529 608071096 /nfs/dbraw/zinc/07/10/96/608071096.db2.gz MMIWZMBZLUSOJW-MSOLQXFVSA-N -1 3 396.407 1.882 20 5 GDBDHM O=[N+]([O-])c1cccc([C@H](O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826499529 608071097 /nfs/dbraw/zinc/07/10/97/608071097.db2.gz MMIWZMBZLUSOJW-MSOLQXFVSA-N -1 3 396.407 1.882 20 5 GDBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000825793386 608175981 /nfs/dbraw/zinc/17/59/81/608175981.db2.gz SFKJSZKUPZYRNB-UHFFFAOYSA-N -1 3 379.340 1.792 20 5 GDBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000825793386 608175982 /nfs/dbraw/zinc/17/59/82/608175982.db2.gz SFKJSZKUPZYRNB-UHFFFAOYSA-N -1 3 379.340 1.792 20 5 GDBDHM O=[N+]([O-])c1c(NCc2cc[nH]n2)cc(NCc2cc[nH]n2)cc1-c1nnn[n-]1 ZINC000826497733 608368201 /nfs/dbraw/zinc/36/82/01/608368201.db2.gz SIJICCKEWSDUJA-UHFFFAOYSA-N -1 3 381.360 1.445 20 5 GDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826366313 608383105 /nfs/dbraw/zinc/38/31/05/608383105.db2.gz BUBCYZNVWVHSRQ-UHFFFAOYSA-N -1 3 397.380 1.884 20 5 GDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826366313 608383107 /nfs/dbraw/zinc/38/31/07/608383107.db2.gz BUBCYZNVWVHSRQ-UHFFFAOYSA-N -1 3 397.380 1.884 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000826501375 608406160 /nfs/dbraw/zinc/40/61/60/608406160.db2.gz NEXJRSDLXZLSKI-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000826501375 608406162 /nfs/dbraw/zinc/40/61/62/608406162.db2.gz NEXJRSDLXZLSKI-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000825961225 608771418 /nfs/dbraw/zinc/77/14/18/608771418.db2.gz CRPMTVHDTMZBHA-UHFFFAOYSA-N -1 3 394.438 1.876 20 5 GDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000825961225 608771419 /nfs/dbraw/zinc/77/14/19/608771419.db2.gz CRPMTVHDTMZBHA-UHFFFAOYSA-N -1 3 394.438 1.876 20 5 GDBDHM CCc1nn(C)c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000825759353 608774005 /nfs/dbraw/zinc/77/40/05/608774005.db2.gz DCELYVVEYIGPMB-UHFFFAOYSA-N -1 3 397.443 1.788 20 5 GDBDHM CCc1nn(C)c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000825759353 608774006 /nfs/dbraw/zinc/77/40/06/608774006.db2.gz DCELYVVEYIGPMB-UHFFFAOYSA-N -1 3 397.443 1.788 20 5 GDBDHM C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824400984 609320466 /nfs/dbraw/zinc/32/04/66/609320466.db2.gz NIQYOTQPTUWEPR-VIFPVBQESA-N -1 3 378.393 1.885 20 5 GDBDHM C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824400984 609320468 /nfs/dbraw/zinc/32/04/68/609320468.db2.gz NIQYOTQPTUWEPR-VIFPVBQESA-N -1 3 378.393 1.885 20 5 GDBDHM C[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824712973 609349472 /nfs/dbraw/zinc/34/94/72/609349472.db2.gz FUSKYNANFBTJAJ-VIFPVBQESA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824712973 609349474 /nfs/dbraw/zinc/34/94/74/609349474.db2.gz 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Nc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822907408 606945423 /nfs/dbraw/zinc/94/54/23/606945423.db2.gz LQKBWMVSJFRQCI-UHFFFAOYSA-N -1 3 384.352 1.983 20 5 GDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822907408 606945424 /nfs/dbraw/zinc/94/54/24/606945424.db2.gz LQKBWMVSJFRQCI-UHFFFAOYSA-N -1 3 384.352 1.983 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(-c2nnn[n-]2)c1 ZINC000821648601 607002875 /nfs/dbraw/zinc/00/28/75/607002875.db2.gz NMZOIESWDFHTSW-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(-c2nn[n-]n2)c1 ZINC000821648601 607002877 /nfs/dbraw/zinc/00/28/77/607002877.db2.gz NMZOIESWDFHTSW-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM Nc1c(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822903666 607004055 /nfs/dbraw/zinc/00/40/55/607004055.db2.gz NKEYRQFAOXXBDY-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM Nc1c(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822903666 607004056 /nfs/dbraw/zinc/00/40/56/607004056.db2.gz NKEYRQFAOXXBDY-UHFFFAOYSA-N -1 3 383.324 1.153 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000822655470 607133003 /nfs/dbraw/zinc/13/30/03/607133003.db2.gz KFJGAAIUBOCJQF-YPMHNXCESA-N -1 3 386.372 1.651 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000822655470 607133004 /nfs/dbraw/zinc/13/30/04/607133004.db2.gz KFJGAAIUBOCJQF-YPMHNXCESA-N -1 3 386.372 1.651 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000821728756 607142488 /nfs/dbraw/zinc/14/24/88/607142488.db2.gz ZOWGPFQGESAXRJ-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000821728756 607142489 /nfs/dbraw/zinc/14/24/89/607142489.db2.gz ZOWGPFQGESAXRJ-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM CNc1cc(N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)ncn1 ZINC000826090591 607841176 /nfs/dbraw/zinc/84/11/76/607841176.db2.gz JMXQOBYUDRNGBG-GFCCVEGCSA-N -1 3 396.415 1.688 20 5 GDBDHM CNc1cc(N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)ncn1 ZINC000826090591 607841177 /nfs/dbraw/zinc/84/11/77/607841177.db2.gz JMXQOBYUDRNGBG-GFCCVEGCSA-N -1 3 396.415 1.688 20 5 GDBDHM CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825950960 607846980 /nfs/dbraw/zinc/84/69/80/607846980.db2.gz YAZSJXMPQVTDSF-UHFFFAOYSA-N -1 3 379.336 1.465 20 5 GDBDHM CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccccc1-c1nnn[n-]1 ZINC000825950439 607847394 /nfs/dbraw/zinc/84/73/94/607847394.db2.gz OJVYIKMHLBKUKD-UHFFFAOYSA-N -1 3 379.336 1.465 20 5 GDBDHM CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccccc1-c1nn[n-]n1 ZINC000825950439 607847395 /nfs/dbraw/zinc/84/73/95/607847395.db2.gz OJVYIKMHLBKUKD-UHFFFAOYSA-N -1 3 379.336 1.465 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000826501728 607863174 /nfs/dbraw/zinc/86/31/74/607863174.db2.gz 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C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480456 608433565 /nfs/dbraw/zinc/43/35/65/608433565.db2.gz WHTFYOITHVDQLN-NSHDSACASA-N -1 3 395.379 1.382 20 5 GDBDHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480456 608433566 /nfs/dbraw/zinc/43/35/66/608433566.db2.gz WHTFYOITHVDQLN-NSHDSACASA-N -1 3 395.379 1.382 20 5 GDBDHM Nc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc(F)cc1[N+](=O)[O-] ZINC000826395613 608443577 /nfs/dbraw/zinc/44/35/77/608443577.db2.gz LAWAAZOBEOICOB-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc(F)cc1[N+](=O)[O-] ZINC000826395613 608443579 /nfs/dbraw/zinc/44/35/79/608443579.db2.gz LAWAAZOBEOICOB-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM C[C@@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824562578 608563275 /nfs/dbraw/zinc/56/32/75/608563275.db2.gz HIIRKCMIIBFKSH-GFCCVEGCSA-N -1 3 381.396 1.742 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826497813 609316818 /nfs/dbraw/zinc/31/68/18/609316818.db2.gz VTHHVBJPLSPIGU-UHFFFAOYSA-N -1 3 391.321 1.271 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826497813 609316820 /nfs/dbraw/zinc/31/68/20/609316820.db2.gz VTHHVBJPLSPIGU-UHFFFAOYSA-N -1 3 391.321 1.271 20 5 GDBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826442302 609376900 /nfs/dbraw/zinc/37/69/00/609376900.db2.gz QMIQCADXCZYLCY-INIZCTEOSA-N -1 3 393.363 1.584 20 5 GDBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826442302 609376903 /nfs/dbraw/zinc/37/69/03/609376903.db2.gz QMIQCADXCZYLCY-INIZCTEOSA-N -1 3 393.363 1.584 20 5 GDBDHM COc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC000543929593 650432396 /nfs/dbraw/zinc/43/23/96/650432396.db2.gz PDSOBQWVSPQAPT-UHFFFAOYSA-N -1 3 399.157 1.267 20 5 GDBDHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446943327 647298833 /nfs/dbraw/zinc/29/88/33/647298833.db2.gz 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O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCN(C3CC3)C2)c1 ZINC000754794234 654980365 /nfs/dbraw/zinc/98/03/65/654980365.db2.gz SVSTXZBRQSGOIQ-SECBINFHSA-N -1 3 390.259 1.872 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2(O)CCC2)c1 ZINC000790461622 655050367 /nfs/dbraw/zinc/05/03/67/655050367.db2.gz UVCWCEXGKCCRNW-UHFFFAOYSA-N -1 3 379.232 1.941 20 5 GDBDHM COC[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000849415099 655530182 /nfs/dbraw/zinc/53/01/82/655530182.db2.gz IRMKKOWCLHWYLZ-JTQLQIEISA-N -1 3 397.247 1.687 20 5 GDBDHM Cc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)c1[N+](=O)[O-] ZINC000856737725 655715921 /nfs/dbraw/zinc/71/59/21/655715921.db2.gz MPBVYCQOFLJKQA-UHFFFAOYSA-N -1 3 379.320 1.827 20 5 GDBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000592077912 677678862 /nfs/dbraw/zinc/67/88/62/677678862.db2.gz MUHFMKSJAVPUJH-QMMMGPOBSA-N -1 3 395.231 1.835 20 5 GDBDHM CC(C)(C)OC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000819928729 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ZINC000822524062 599691594 /nfs/dbraw/zinc/69/15/94/599691594.db2.gz XBHKCBTVDZNTOC-UHFFFAOYSA-N -1 3 379.358 1.205 20 5 GDBDHM Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822524062 599691595 /nfs/dbraw/zinc/69/15/95/599691595.db2.gz XBHKCBTVDZNTOC-UHFFFAOYSA-N -1 3 379.358 1.205 20 5 GDBDHM O=C([O-])[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000738523953 600429132 /nfs/dbraw/zinc/42/91/32/600429132.db2.gz FYCIKAGONGXJRH-HNNXBMFYSA-N -1 3 379.394 1.289 20 5 GDBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000823513211 607470832 /nfs/dbraw/zinc/47/08/32/607470832.db2.gz UDGIPPJEOWAYJS-JTQLQIEISA-N -1 3 385.306 1.740 20 5 GDBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000823513211 607470834 /nfs/dbraw/zinc/47/08/34/607470834.db2.gz UDGIPPJEOWAYJS-JTQLQIEISA-N -1 3 385.306 1.740 20 5 GDBDHM CC(=O)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824029511 607537029 /nfs/dbraw/zinc/53/70/29/607537029.db2.gz LRVUKYHSDBIELM-UHFFFAOYSA-N -1 3 382.336 1.995 20 5 GDBDHM CC(=O)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029511 607537031 /nfs/dbraw/zinc/53/70/31/607537031.db2.gz LRVUKYHSDBIELM-UHFFFAOYSA-N -1 3 382.336 1.995 20 5 GDBDHM COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1-c1nnn[n-]1 ZINC000826208652 607539130 /nfs/dbraw/zinc/53/91/30/607539130.db2.gz UIEWARJJCLSEKC-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1-c1nn[n-]n1 ZINC000826208652 607539131 /nfs/dbraw/zinc/53/91/31/607539131.db2.gz UIEWARJJCLSEKC-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM Cc1cc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000822206859 606036064 /nfs/dbraw/zinc/03/60/64/606036064.db2.gz BIJKZXWDLQNKHM-UHFFFAOYSA-N -1 3 384.375 1.944 20 5 GDBDHM Nc1c(F)c(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000822907431 606063412 /nfs/dbraw/zinc/06/34/12/606063412.db2.gz MIMSDGVMRHOCTQ-UHFFFAOYSA-N -1 3 385.363 1.218 20 5 GDBDHM Nc1c(F)c(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000822907431 606063416 /nfs/dbraw/zinc/06/34/16/606063416.db2.gz MIMSDGVMRHOCTQ-UHFFFAOYSA-N -1 3 385.363 1.218 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000822631652 606210752 /nfs/dbraw/zinc/21/07/52/606210752.db2.gz CUTXQBZXYVKREK-UHFFFAOYSA-N -1 3 382.384 1.076 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000822631652 606210753 /nfs/dbraw/zinc/21/07/53/606210753.db2.gz CUTXQBZXYVKREK-UHFFFAOYSA-N -1 3 382.384 1.076 20 5 GDBDHM Cc1nn(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000822500967 606308000 /nfs/dbraw/zinc/30/80/00/606308000.db2.gz PCKRKTCBYWQALB-UHFFFAOYSA-N -1 3 377.386 1.062 20 5 GDBDHM Cc1nn(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000822500967 606308002 /nfs/dbraw/zinc/30/80/02/606308002.db2.gz PCKRKTCBYWQALB-UHFFFAOYSA-N -1 3 377.386 1.062 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648739 606364406 /nfs/dbraw/zinc/36/44/06/606364406.db2.gz RCXHFVUZNJTUMH-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648739 606364407 /nfs/dbraw/zinc/36/44/07/606364407.db2.gz RCXHFVUZNJTUMH-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648708 606369057 /nfs/dbraw/zinc/36/90/57/606369057.db2.gz QLIPPTPNLIFVBI-ZDUSSCGKSA-N -1 3 386.324 1.185 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648708 606369059 /nfs/dbraw/zinc/36/90/59/606369059.db2.gz QLIPPTPNLIFVBI-ZDUSSCGKSA-N -1 3 386.324 1.185 20 5 GDBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820506455 606385464 /nfs/dbraw/zinc/38/54/64/606385464.db2.gz AJKNZROFDZITJD-VIFPVBQESA-N -1 3 385.340 1.297 20 5 GDBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820506455 606385465 /nfs/dbraw/zinc/38/54/65/606385465.db2.gz AJKNZROFDZITJD-VIFPVBQESA-N -1 3 385.340 1.297 20 5 GDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821615519 606396624 /nfs/dbraw/zinc/39/66/24/606396624.db2.gz ACAYSZDWNVEIAA-UHFFFAOYSA-N -1 3 399.342 1.511 20 5 GDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821615519 606396625 /nfs/dbraw/zinc/39/66/25/606396625.db2.gz ACAYSZDWNVEIAA-UHFFFAOYSA-N -1 3 399.342 1.511 20 5 GDBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000821601682 606443316 /nfs/dbraw/zinc/44/33/16/606443316.db2.gz UQKAMDGOMFXOBU-UHFFFAOYSA-N -1 3 394.399 1.697 20 5 GDBDHM Cc1ccnc(NC[C@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000822374344 606705838 /nfs/dbraw/zinc/70/58/38/606705838.db2.gz RSWDUPWJPXTPTC-GFCCVEGCSA-N -1 3 381.400 1.812 20 5 GDBDHM Cc1ccnc(NC[C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000822374344 606705839 /nfs/dbraw/zinc/70/58/39/606705839.db2.gz RSWDUPWJPXTPTC-GFCCVEGCSA-N -1 3 381.400 1.812 20 5 GDBDHM Cc1nc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000822453599 606707660 /nfs/dbraw/zinc/70/76/60/606707660.db2.gz MJUMRIFOHXLXKG-UHFFFAOYSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1nc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000822453599 606707661 /nfs/dbraw/zinc/70/76/61/606707661.db2.gz MJUMRIFOHXLXKG-UHFFFAOYSA-N -1 3 381.400 1.954 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823646916 606844680 /nfs/dbraw/zinc/84/46/80/606844680.db2.gz CUBJZPIMBVUZPQ-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(-c2nnn[n-]2)c1 ZINC000821648602 607003373 /nfs/dbraw/zinc/00/33/73/607003373.db2.gz NMZOIESWDFHTSW-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(-c2nn[n-]n2)c1 ZINC000821648602 607003375 /nfs/dbraw/zinc/00/33/75/607003375.db2.gz NMZOIESWDFHTSW-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM Cc1occc1-c1nnc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1N ZINC000822553762 607028387 /nfs/dbraw/zinc/02/83/87/607028387.db2.gz QOWJTIMHRUGJTB-UHFFFAOYSA-N -1 3 385.369 1.800 20 5 GDBDHM Cc1occc1-c1nnc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1N ZINC000822553762 607028390 /nfs/dbraw/zinc/02/83/90/607028390.db2.gz QOWJTIMHRUGJTB-UHFFFAOYSA-N -1 3 385.369 1.800 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCOCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823643795 607131986 /nfs/dbraw/zinc/13/19/86/607131986.db2.gz BCEUBYIRABGSAR-UHFFFAOYSA-N -1 3 397.395 1.709 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCOCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823643795 607131988 /nfs/dbraw/zinc/13/19/88/607131988.db2.gz BCEUBYIRABGSAR-UHFFFAOYSA-N -1 3 397.395 1.709 20 5 GDBDHM COC(=O)CCN(C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821661547 607225748 /nfs/dbraw/zinc/22/57/48/607225748.db2.gz OADFURLPFZAILS-GFCCVEGCSA-N -1 3 376.373 1.323 20 5 GDBDHM COC(=O)CCN(C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821661547 607225749 /nfs/dbraw/zinc/22/57/49/607225749.db2.gz OADFURLPFZAILS-GFCCVEGCSA-N -1 3 376.373 1.323 20 5 GDBDHM CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825949837 607848055 /nfs/dbraw/zinc/84/80/55/607848055.db2.gz ATTQUEAEPYHHJM-UHFFFAOYSA-N -1 3 397.326 1.604 20 5 GDBDHM COC(=O)[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111402 607983241 /nfs/dbraw/zinc/98/32/41/607983241.db2.gz DVNLNMXQLSITIU-INIZCTEOSA-N -1 3 382.380 1.821 20 5 GDBDHM COC(=O)[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111402 607983242 /nfs/dbraw/zinc/98/32/42/607983242.db2.gz DVNLNMXQLSITIU-INIZCTEOSA-N -1 3 382.380 1.821 20 5 GDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826459649 608002831 /nfs/dbraw/zinc/00/28/31/608002831.db2.gz SJEXBDFPMRVJMX-UHFFFAOYSA-N -1 3 385.731 1.952 20 5 GDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826459649 608002832 /nfs/dbraw/zinc/00/28/32/608002832.db2.gz SJEXBDFPMRVJMX-UHFFFAOYSA-N -1 3 385.731 1.952 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826423488 608080790 /nfs/dbraw/zinc/08/07/90/608080790.db2.gz RCMQKYTVWFAUOO-KRWDZBQOSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826423488 608080791 /nfs/dbraw/zinc/08/07/91/608080791.db2.gz RCMQKYTVWFAUOO-KRWDZBQOSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474074 608084170 /nfs/dbraw/zinc/08/41/70/608084170.db2.gz ZHEYVPKPLZFCGU-HNNXBMFYSA-N -1 3 381.352 1.384 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474074 608084171 /nfs/dbraw/zinc/08/41/71/608084171.db2.gz ZHEYVPKPLZFCGU-HNNXBMFYSA-N -1 3 381.352 1.384 20 5 GDBDHM CC(C)(C)OC(=O)N1CC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824103488 608098261 /nfs/dbraw/zinc/09/82/61/608098261.db2.gz CBGQHSIUJILDGR-UHFFFAOYSA-N -1 3 376.377 1.449 20 5 GDBDHM CC(C)(C)OC(=O)N1CC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824103488 608098262 /nfs/dbraw/zinc/09/82/62/608098262.db2.gz CBGQHSIUJILDGR-UHFFFAOYSA-N -1 3 376.377 1.449 20 5 GDBDHM CCOC(=O)C(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825485205 608159632 /nfs/dbraw/zinc/15/96/32/608159632.db2.gz FBUUAHDMYBFHKY-UHFFFAOYSA-N -1 3 382.764 1.956 20 5 GDBDHM CCOC(=O)C(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825485205 608159634 /nfs/dbraw/zinc/15/96/34/608159634.db2.gz FBUUAHDMYBFHKY-UHFFFAOYSA-N -1 3 382.764 1.956 20 5 GDBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000826444044 608190862 /nfs/dbraw/zinc/19/08/62/608190862.db2.gz OHDSLXDLYKITRW-UHFFFAOYSA-N -1 3 391.351 1.490 20 5 GDBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000826444044 608190864 /nfs/dbraw/zinc/19/08/64/608190864.db2.gz OHDSLXDLYKITRW-UHFFFAOYSA-N -1 3 391.351 1.490 20 5 GDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409478 608487212 /nfs/dbraw/zinc/48/72/12/608487212.db2.gz AYDPVIOLFYRPKU-UHFFFAOYSA-N -1 3 394.395 1.677 20 5 GDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409478 608487213 /nfs/dbraw/zinc/48/72/13/608487213.db2.gz AYDPVIOLFYRPKU-UHFFFAOYSA-N -1 3 394.395 1.677 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826293535 608550925 /nfs/dbraw/zinc/55/09/25/608550925.db2.gz SMPIXRMKHLLUJN-UHFFFAOYSA-N -1 3 395.379 1.647 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826293535 608550926 /nfs/dbraw/zinc/55/09/26/608550926.db2.gz SMPIXRMKHLLUJN-UHFFFAOYSA-N -1 3 395.379 1.647 20 5 GDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826459255 609256514 /nfs/dbraw/zinc/25/65/14/609256514.db2.gz BXINCUXRAVBQRL-ZDUSSCGKSA-N -1 3 380.324 1.323 20 5 GDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459255 609256515 /nfs/dbraw/zinc/25/65/15/609256515.db2.gz BXINCUXRAVBQRL-ZDUSSCGKSA-N -1 3 380.324 1.323 20 5 GDBDHM Cc1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1F ZINC000826304527 609393281 /nfs/dbraw/zinc/39/32/81/609393281.db2.gz OOKJBMPOQFXQOO-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1F ZINC000826304527 609393283 /nfs/dbraw/zinc/39/32/83/609393283.db2.gz OOKJBMPOQFXQOO-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826174140 609418151 /nfs/dbraw/zinc/41/81/51/609418151.db2.gz KBJYWGFSCUKODA-UHFFFAOYSA-N -1 3 385.292 1.731 20 5 GDBDHM 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O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)Nc1sccc1-c1nnn[n-]1 ZINC000823027129 606797478 /nfs/dbraw/zinc/79/74/78/606797478.db2.gz NCHXKIFAVGLKOM-UHFFFAOYSA-N -1 3 375.326 1.027 20 5 GDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)Nc1sccc1-c1nn[n-]n1 ZINC000823027129 606797480 /nfs/dbraw/zinc/79/74/80/606797480.db2.gz NCHXKIFAVGLKOM-UHFFFAOYSA-N -1 3 375.326 1.027 20 5 GDBDHM C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820512076 607003082 /nfs/dbraw/zinc/00/30/82/607003082.db2.gz GHINXKCEVQRALG-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820512076 607003084 /nfs/dbraw/zinc/00/30/84/607003084.db2.gz GHINXKCEVQRALG-SECBINFHSA-N -1 3 397.351 1.541 20 5 GDBDHM COc1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821728424 607033040 /nfs/dbraw/zinc/03/30/40/607033040.db2.gz WMOOTFLZDBZDQG-UHFFFAOYSA-N -1 3 390.381 1.609 20 5 GDBDHM COc1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] 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1.697 20 5 GDBDHM CSc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC000737193460 598293176 /nfs/dbraw/zinc/29/31/76/598293176.db2.gz SCQSLJDZQKKTTH-UHFFFAOYSA-N -1 3 390.385 1.133 20 5 GDBDHM CSc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1[N+](=O)[O-] ZINC000737193460 598293178 /nfs/dbraw/zinc/29/31/78/598293178.db2.gz SCQSLJDZQKKTTH-UHFFFAOYSA-N -1 3 390.385 1.133 20 5 GDBDHM O=C(COc1ccccc1-c1nnn[n-]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000737932503 598326457 /nfs/dbraw/zinc/32/64/57/598326457.db2.gz XTIDJEPCUAFEQK-UHFFFAOYSA-N -1 3 383.368 1.382 20 5 GDBDHM O=C(COc1ccccc1-c1nn[n-]n1)NCCNc1ccccc1[N+](=O)[O-] ZINC000737932503 598326458 /nfs/dbraw/zinc/32/64/58/598326458.db2.gz XTIDJEPCUAFEQK-UHFFFAOYSA-N -1 3 383.368 1.382 20 5 GDBDHM Cn1ccnc1CN1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737616215 598336906 /nfs/dbraw/zinc/33/69/06/598336906.db2.gz PRJYZAZJHPFQJQ-UHFFFAOYSA-N -1 3 383.416 1.221 20 5 GDBDHM Cn1ccnc1CN1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737616215 598336908 /nfs/dbraw/zinc/33/69/08/598336908.db2.gz PRJYZAZJHPFQJQ-UHFFFAOYSA-N -1 3 383.416 1.221 20 5 GDBDHM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737475121 598338279 /nfs/dbraw/zinc/33/82/79/598338279.db2.gz YCPQBXXTVWCRMK-CYBMUJFWSA-N -1 3 383.416 1.900 20 5 GDBDHM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737475121 598338280 /nfs/dbraw/zinc/33/82/80/598338280.db2.gz YCPQBXXTVWCRMK-CYBMUJFWSA-N -1 3 383.416 1.900 20 5 GDBDHM CCOc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000736655391 598389254 /nfs/dbraw/zinc/38/92/54/598389254.db2.gz RGTUTXKJWCYWKP-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM CCOc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000736655391 598389256 /nfs/dbraw/zinc/38/92/56/598389256.db2.gz RGTUTXKJWCYWKP-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000736895138 598501718 /nfs/dbraw/zinc/50/17/18/598501718.db2.gz XEMBPXXUCIMNKZ-CYBMUJFWSA-N -1 3 397.395 1.922 20 5 GDBDHM COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000736895138 598501720 /nfs/dbraw/zinc/50/17/20/598501720.db2.gz XEMBPXXUCIMNKZ-CYBMUJFWSA-N -1 3 397.395 1.922 20 5 GDBDHM Cc1nc(CN2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)oc1C ZINC000737477151 598502430 /nfs/dbraw/zinc/50/24/30/598502430.db2.gz KLOGWMDUZLLQQV-UHFFFAOYSA-N -1 3 399.415 1.487 20 5 GDBDHM Cc1nc(CN2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)oc1C ZINC000737477151 598502433 /nfs/dbraw/zinc/50/24/33/598502433.db2.gz KLOGWMDUZLLQQV-UHFFFAOYSA-N -1 3 399.415 1.487 20 5 GDBDHM O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737988858 598537796 /nfs/dbraw/zinc/53/77/96/598537796.db2.gz ONODOCJNZKASDO-UHFFFAOYSA-N -1 3 391.351 1.672 20 5 GDBDHM O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737988858 598537799 /nfs/dbraw/zinc/53/77/99/598537799.db2.gz ONODOCJNZKASDO-UHFFFAOYSA-N -1 3 391.351 1.672 20 5 GDBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738206163 598568911 /nfs/dbraw/zinc/56/89/11/598568911.db2.gz FIIGONTWHCUGJT-UHFFFAOYSA-N -1 3 383.353 1.669 20 5 GDBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738206163 598568913 /nfs/dbraw/zinc/56/89/13/598568913.db2.gz FIIGONTWHCUGJT-UHFFFAOYSA-N -1 3 383.353 1.669 20 5 GDBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737803522 598588329 /nfs/dbraw/zinc/58/83/29/598588329.db2.gz TXJCZWSMBDGOAE-YHYXMXQVSA-N -1 3 380.364 1.983 20 5 GDBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737803522 598588330 /nfs/dbraw/zinc/58/83/30/598588330.db2.gz TXJCZWSMBDGOAE-YHYXMXQVSA-N -1 3 380.364 1.983 20 5 GDBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826408027 607363901 /nfs/dbraw/zinc/36/39/01/607363901.db2.gz MWSFPPCAZZLCRZ-UHFFFAOYSA-N -1 3 397.347 1.970 20 5 GDBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826408027 607363902 /nfs/dbraw/zinc/36/39/02/607363902.db2.gz MWSFPPCAZZLCRZ-UHFFFAOYSA-N -1 3 397.347 1.970 20 5 GDBDHM CNc1cc(N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ncn1 ZINC000736886720 598672860 /nfs/dbraw/zinc/67/28/60/598672860.db2.gz IYUDBNOUKJVRGW-LBPRGKRZSA-N -1 3 396.415 1.688 20 5 GDBDHM COc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000737039870 598673804 /nfs/dbraw/zinc/67/38/04/598673804.db2.gz LMEMFPUZHPSBRU-UHFFFAOYSA-N -1 3 397.399 1.209 20 5 GDBDHM COc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000737039870 598673806 /nfs/dbraw/zinc/67/38/06/598673806.db2.gz LMEMFPUZHPSBRU-UHFFFAOYSA-N -1 3 397.399 1.209 20 5 GDBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738075398 598677527 /nfs/dbraw/zinc/67/75/27/598677527.db2.gz JESQVDMPMGIBMB-UHFFFAOYSA-N -1 3 386.347 1.541 20 5 GDBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738075398 598677529 /nfs/dbraw/zinc/67/75/29/598677529.db2.gz JESQVDMPMGIBMB-UHFFFAOYSA-N -1 3 386.347 1.541 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826327325 607368557 /nfs/dbraw/zinc/36/85/57/607368557.db2.gz CRYSKSUWWGMHPN-UHFFFAOYSA-N -1 3 385.340 1.096 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826327325 607368558 /nfs/dbraw/zinc/36/85/58/607368558.db2.gz CRYSKSUWWGMHPN-UHFFFAOYSA-N -1 3 385.340 1.096 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820446778 599321986 /nfs/dbraw/zinc/32/19/86/599321986.db2.gz XDRNPVBTRGNKSW-QMMMGPOBSA-N -1 3 380.411 1.876 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCN(CC(F)F)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644751 599507015 /nfs/dbraw/zinc/50/70/15/599507015.db2.gz LSGOPKLJAFFTSE-UHFFFAOYSA-N -1 3 390.354 1.710 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCN(CC(F)F)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644751 599507018 /nfs/dbraw/zinc/50/70/18/599507018.db2.gz LSGOPKLJAFFTSE-UHFFFAOYSA-N -1 3 390.354 1.710 20 5 GDBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823493198 599507495 /nfs/dbraw/zinc/50/74/95/599507495.db2.gz HXNFVLHPANPEPA-UHFFFAOYSA-N -1 3 397.370 1.876 20 5 GDBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823493198 599507497 /nfs/dbraw/zinc/50/74/97/599507497.db2.gz HXNFVLHPANPEPA-UHFFFAOYSA-N -1 3 397.370 1.876 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ncnn4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644729 599538321 /nfs/dbraw/zinc/53/83/21/599538321.db2.gz KUWROWINVJCXJB-VIFPVBQESA-N -1 3 378.356 1.342 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ncnn4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644729 599538324 /nfs/dbraw/zinc/53/83/24/599538324.db2.gz KUWROWINVJCXJB-VIFPVBQESA-N -1 3 378.356 1.342 20 5 GDBDHM C[C@H](CS(C)(=O)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820295096 599556705 /nfs/dbraw/zinc/55/67/05/599556705.db2.gz YBMRISAJKQOANM-MRVPVSSYSA-N -1 3 377.386 1.168 20 5 GDBDHM C[C@H](CS(C)(=O)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820295096 599556708 /nfs/dbraw/zinc/55/67/08/599556708.db2.gz YBMRISAJKQOANM-MRVPVSSYSA-N -1 3 377.386 1.168 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCOC[C@H]3CCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000823643730 599560568 /nfs/dbraw/zinc/56/05/68/599560568.db2.gz AEEITIOYRCSOMU-GFCCVEGCSA-N -1 3 385.384 1.931 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCOC[C@H]3CCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000823643730 599560570 /nfs/dbraw/zinc/56/05/70/599560570.db2.gz AEEITIOYRCSOMU-GFCCVEGCSA-N -1 3 385.384 1.931 20 5 GDBDHM COC(=O)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821659246 607385395 /nfs/dbraw/zinc/38/53/95/607385395.db2.gz XAGNBMJYXHYIBW-JTQLQIEISA-N -1 3 383.368 1.855 20 5 GDBDHM COC(=O)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821659246 607385397 /nfs/dbraw/zinc/38/53/97/607385397.db2.gz XAGNBMJYXHYIBW-JTQLQIEISA-N -1 3 383.368 1.855 20 5 GDBDHM COC(=O)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821659247 607385778 /nfs/dbraw/zinc/38/57/78/607385778.db2.gz XAGNBMJYXHYIBW-SNVBAGLBSA-N -1 3 383.368 1.855 20 5 GDBDHM COC(=O)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821659247 607385780 /nfs/dbraw/zinc/38/57/80/607385780.db2.gz XAGNBMJYXHYIBW-SNVBAGLBSA-N -1 3 383.368 1.855 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822312099 599601884 /nfs/dbraw/zinc/60/18/84/599601884.db2.gz AALVPEKSAAPCTR-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822312099 599601886 /nfs/dbraw/zinc/60/18/86/599601886.db2.gz AALVPEKSAAPCTR-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820925907 599692568 /nfs/dbraw/zinc/69/25/68/599692568.db2.gz MYPFNBMSWWQFRA-CYBMUJFWSA-N -1 3 399.415 1.324 20 5 GDBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820925907 599692569 /nfs/dbraw/zinc/69/25/69/599692569.db2.gz MYPFNBMSWWQFRA-CYBMUJFWSA-N -1 3 399.415 1.324 20 5 GDBDHM O=C(COc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826419790 607419564 /nfs/dbraw/zinc/41/95/64/607419564.db2.gz LZXRPPCOZJDTMK-UHFFFAOYSA-N -1 3 380.364 1.959 20 5 GDBDHM O=C(COc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826419790 607419566 /nfs/dbraw/zinc/41/95/66/607419566.db2.gz LZXRPPCOZJDTMK-UHFFFAOYSA-N -1 3 380.364 1.959 20 5 GDBDHM CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833682 607435739 /nfs/dbraw/zinc/43/57/39/607435739.db2.gz KQXGHKFWOIYIOC-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833682 607435740 /nfs/dbraw/zinc/43/57/40/607435740.db2.gz KQXGHKFWOIYIOC-UHFFFAOYSA-N -1 3 391.351 1.632 20 5 GDBDHM COc1ccc(CNc2cc([N+](=O)[O-])ccc2NCCO)cc1-c1nnn[n-]1 ZINC000826204022 607545196 /nfs/dbraw/zinc/54/51/96/607545196.db2.gz SSDAMESXVAWTLD-UHFFFAOYSA-N -1 3 385.384 1.800 20 5 GDBDHM COc1ccc(CNc2cc([N+](=O)[O-])ccc2NCCO)cc1-c1nn[n-]n1 ZINC000826204022 607545197 /nfs/dbraw/zinc/54/51/97/607545197.db2.gz SSDAMESXVAWTLD-UHFFFAOYSA-N -1 3 385.384 1.800 20 5 GDBDHM CS(=O)(=O)c1ccc(NCCN[C@H](C(=O)[O-])c2cccnc2)c([N+](=O)[O-])c1 ZINC000832720050 604989186 /nfs/dbraw/zinc/98/91/86/604989186.db2.gz IOBZWOWWIIDXBB-HNNXBMFYSA-N -1 3 394.409 1.221 20 5 GDBDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)cccc1[N+](=O)[O-] ZINC000822061301 606389044 /nfs/dbraw/zinc/38/90/44/606389044.db2.gz LXRGFCYINROJKM-SNVBAGLBSA-N -1 3 399.367 1.606 20 5 GDBDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)cccc1[N+](=O)[O-] ZINC000822061301 606389046 /nfs/dbraw/zinc/38/90/46/606389046.db2.gz LXRGFCYINROJKM-SNVBAGLBSA-N -1 3 399.367 1.606 20 5 GDBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823472414 606479295 /nfs/dbraw/zinc/47/92/95/606479295.db2.gz LFDVZXLCOUOJOT-UHFFFAOYSA-N -1 3 385.409 1.799 20 5 GDBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823472414 606479299 /nfs/dbraw/zinc/47/92/99/606479299.db2.gz LFDVZXLCOUOJOT-UHFFFAOYSA-N -1 3 385.409 1.799 20 5 GDBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821572094 606480114 /nfs/dbraw/zinc/48/01/14/606480114.db2.gz RAFKQNJKVPMMES-JTQLQIEISA-N -1 3 390.404 1.616 20 5 GDBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821572094 606480116 /nfs/dbraw/zinc/48/01/16/606480116.db2.gz RAFKQNJKVPMMES-JTQLQIEISA-N -1 3 390.404 1.616 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@]3(CCO)CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645934 606790466 /nfs/dbraw/zinc/79/04/66/606790466.db2.gz WWJJXOKWIZBACA-KRWDZBQOSA-N -1 3 385.384 1.524 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@]3(CCO)CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645934 606790467 /nfs/dbraw/zinc/79/04/67/606790467.db2.gz WWJJXOKWIZBACA-KRWDZBQOSA-N -1 3 385.384 1.524 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823487361 606804033 /nfs/dbraw/zinc/80/40/33/606804033.db2.gz BFFCIUBATTXHGJ-UHFFFAOYSA-N -1 3 380.368 1.132 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823487361 606804035 /nfs/dbraw/zinc/80/40/35/606804035.db2.gz BFFCIUBATTXHGJ-UHFFFAOYSA-N -1 3 380.368 1.132 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1 ZINC000822203220 607021911 /nfs/dbraw/zinc/02/19/11/607021911.db2.gz JTIKDIPBCWBDKU-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1 ZINC000822203220 607021913 /nfs/dbraw/zinc/02/19/13/607021913.db2.gz JTIKDIPBCWBDKU-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823648330 607035728 /nfs/dbraw/zinc/03/57/28/607035728.db2.gz UVUDRVXCVQLHKK-UHFFFAOYSA-N -1 3 396.776 1.129 20 5 GDBDHM C[C@@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[S@@](C)=O ZINC000820242330 607041563 /nfs/dbraw/zinc/04/15/63/607041563.db2.gz MZGBSKDHKKOASC-UAXLGHPASA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@@H](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[S@@](C)=O ZINC000820242330 607041564 /nfs/dbraw/zinc/04/15/64/607041564.db2.gz MZGBSKDHKKOASC-UAXLGHPASA-N -1 3 375.414 1.892 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)cn1 ZINC000823639557 607059595 /nfs/dbraw/zinc/05/95/95/607059595.db2.gz DNRMGECXPFOAJF-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735632922 607235164 /nfs/dbraw/zinc/23/51/64/607235164.db2.gz IPZDAVBDDGRCJI-NSHDSACASA-N -1 3 375.389 1.878 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735632922 607235165 /nfs/dbraw/zinc/23/51/65/607235165.db2.gz IPZDAVBDDGRCJI-NSHDSACASA-N -1 3 375.389 1.878 20 5 GDBDHM CNc1cc(N2CCC[C@@H]2CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)ncn1 ZINC000826091160 607841574 /nfs/dbraw/zinc/84/15/74/607841574.db2.gz XEQPDOZCZQXXLN-GFCCVEGCSA-N -1 3 396.415 1.688 20 5 GDBDHM CNc1cc(N2CCC[C@@H]2CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)ncn1 ZINC000826091160 607841575 /nfs/dbraw/zinc/84/15/75/607841575.db2.gz XEQPDOZCZQXXLN-GFCCVEGCSA-N -1 3 396.415 1.688 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCOc1ccccc1-c1nnn[n-]1 ZINC000826502162 607863208 /nfs/dbraw/zinc/86/32/08/607863208.db2.gz XFKBCEMYWGMXGE-UHFFFAOYSA-N -1 3 395.335 1.671 20 5 GDBDHM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCOc1ccccc1-c1nn[n-]n1 ZINC000826502162 607863209 /nfs/dbraw/zinc/86/32/09/607863209.db2.gz XFKBCEMYWGMXGE-UHFFFAOYSA-N -1 3 395.335 1.671 20 5 GDBDHM O=[N+]([O-])c1cc(F)ccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826498189 607873372 /nfs/dbraw/zinc/87/33/72/607873372.db2.gz KQDZKVKEZAJGGC-GFCCVEGCSA-N -1 3 375.316 1.733 20 5 GDBDHM CC(=O)c1cccc(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000824029927 607876089 /nfs/dbraw/zinc/87/60/89/607876089.db2.gz VOJDXDYGCXCSDU-ZDUSSCGKSA-N -1 3 399.363 1.796 20 5 GDBDHM CC(=O)c1cccc(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000824029927 607876090 /nfs/dbraw/zinc/87/60/90/607876090.db2.gz VOJDXDYGCXCSDU-ZDUSSCGKSA-N -1 3 399.363 1.796 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000826499227 607933930 /nfs/dbraw/zinc/93/39/30/607933930.db2.gz ACQDOOCSFKKNAM-UHFFFAOYSA-N -1 3 378.395 1.588 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826499227 607933931 /nfs/dbraw/zinc/93/39/31/607933931.db2.gz ACQDOOCSFKKNAM-UHFFFAOYSA-N -1 3 378.395 1.588 20 5 GDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824010407 607971511 /nfs/dbraw/zinc/97/15/11/607971511.db2.gz MQIHMFHALCYIAM-UHFFFAOYSA-N -1 3 389.349 1.745 20 5 GDBDHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826438185 607981741 /nfs/dbraw/zinc/98/17/41/607981741.db2.gz QUXPTBOGXPUERH-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826438185 607981742 /nfs/dbraw/zinc/98/17/42/607981742.db2.gz QUXPTBOGXPUERH-UHFFFAOYSA-N -1 3 397.399 1.124 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826499531 608071339 /nfs/dbraw/zinc/07/13/39/608071339.db2.gz MMIWZMBZLUSOJW-ROUUACIJSA-N -1 3 396.407 1.882 20 5 GDBDHM O=[N+]([O-])c1cccc([C@@H](O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826499531 608071340 /nfs/dbraw/zinc/07/13/40/608071340.db2.gz MMIWZMBZLUSOJW-ROUUACIJSA-N -1 3 396.407 1.882 20 5 GDBDHM Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1=O ZINC000826358966 608161545 /nfs/dbraw/zinc/16/15/45/608161545.db2.gz PZMRCLMDDJGIQP-UHFFFAOYSA-N -1 3 375.732 1.379 20 5 GDBDHM Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1=O ZINC000826358966 608161547 /nfs/dbraw/zinc/16/15/47/608161547.db2.gz PZMRCLMDDJGIQP-UHFFFAOYSA-N -1 3 375.732 1.379 20 5 GDBDHM Cc1nn(C)c(C)c1[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826333551 608241781 /nfs/dbraw/zinc/24/17/81/608241781.db2.gz MANDSQVPCRIFNT-HNNXBMFYSA-N -1 3 384.400 1.703 20 5 GDBDHM Cc1nn(C)c(C)c1[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826333551 608241783 /nfs/dbraw/zinc/24/17/83/608241783.db2.gz MANDSQVPCRIFNT-HNNXBMFYSA-N -1 3 384.400 1.703 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000826363106 608279293 /nfs/dbraw/zinc/27/92/93/608279293.db2.gz XNOGNHSNKQZUIK-UHFFFAOYSA-N -1 3 388.413 1.172 20 5 GDBDHM Cn1cc([N+](=O)[O-])c(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000826363106 608279294 /nfs/dbraw/zinc/27/92/94/608279294.db2.gz XNOGNHSNKQZUIK-UHFFFAOYSA-N -1 3 388.413 1.172 20 5 GDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826438679 609227827 /nfs/dbraw/zinc/22/78/27/609227827.db2.gz MOVAZEHXIRTRGP-HNNXBMFYSA-N -1 3 384.352 1.004 20 5 GDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826438679 609227828 /nfs/dbraw/zinc/22/78/28/609227828.db2.gz MOVAZEHXIRTRGP-HNNXBMFYSA-N -1 3 384.352 1.004 20 5 GDBDHM Cc1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826337218 609306371 /nfs/dbraw/zinc/30/63/71/609306371.db2.gz HBNNZLKIRPIFSK-UHFFFAOYSA-N -1 3 386.397 1.573 20 5 GDBDHM Cc1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826337218 609306372 /nfs/dbraw/zinc/30/63/72/609306372.db2.gz HBNNZLKIRPIFSK-UHFFFAOYSA-N -1 3 386.397 1.573 20 5 GDBDHM Cc1cc(C(=O)NCC(=O)OCc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826259064 609410164 /nfs/dbraw/zinc/41/01/64/609410164.db2.gz GHZWDUZWBCDANR-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM Cc1cc(C(=O)NCC(=O)OCc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826259064 609410165 /nfs/dbraw/zinc/41/01/65/609410165.db2.gz GHZWDUZWBCDANR-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531269294 649989624 /nfs/dbraw/zinc/98/96/24/649989624.db2.gz JEIBMJJCQSJNCU-LLVKDONJSA-N -1 3 383.202 1.528 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[S@](=O)Cc2ccccc2)c(F)c1 ZINC000116898243 644649261 /nfs/dbraw/zinc/64/92/61/644649261.db2.gz FWBCTKRDVQVLLE-XMMPIXPASA-N -1 3 386.426 1.961 20 5 GDBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000446965769 647301333 /nfs/dbraw/zinc/30/13/33/647301333.db2.gz LJVBMAUBWIQRAV-NSHDSACASA-N -1 3 395.231 1.833 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)C1CCOCC1 ZINC000460922260 647478882 /nfs/dbraw/zinc/47/88/82/647478882.db2.gz LYHNRCGDTSSUET-LBPRGKRZSA-N -1 3 378.834 1.704 20 5 GDBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCCOC1 ZINC000467082981 647631276 /nfs/dbraw/zinc/63/12/76/647631276.db2.gz DDRKNZWPHQRZNV-ZWNOBZJWSA-N -1 3 392.455 1.601 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)NCCF ZINC000499760788 648092023 /nfs/dbraw/zinc/09/20/23/648092023.db2.gz JUSFEACHZBMHBD-SSDOTTSWSA-N -1 3 387.311 1.366 20 5 GDBDHM 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CCN(CC)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746637135 654765737 /nfs/dbraw/zinc/76/57/37/654765737.db2.gz GFNMERYFLPWPGL-UHFFFAOYSA-N -1 3 394.247 1.504 20 5 GDBDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000748149962 654800483 /nfs/dbraw/zinc/80/04/83/654800483.db2.gz VVMXTCSRNFUIEF-UHFFFAOYSA-N -1 3 394.833 1.636 20 5 GDBDHM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1=O ZINC000748657796 654809433 /nfs/dbraw/zinc/80/94/33/654809433.db2.gz UHDMVYPRZCTOEN-SNVBAGLBSA-N -1 3 392.231 1.256 20 5 GDBDHM C[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1=O ZINC000810102941 655150569 /nfs/dbraw/zinc/15/05/69/655150569.db2.gz JOFTXGUGNRLZRW-LLVKDONJSA-N -1 3 379.188 1.341 20 5 GDBDHM Cc1nn2cc(S(=O)(=O)[N-]N=c3[nH]cccc3[N+](=O)[O-])cnc2c1Cl ZINC000766319062 655264028 /nfs/dbraw/zinc/26/40/28/655264028.db2.gz GRZXWIHNSGQPNX-UHFFFAOYSA-N -1 3 383.777 1.300 20 5 GDBDHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009528 655277535 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3 393.367 1.434 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826363057 948137672 /nfs/dbraw/zinc/13/76/72/948137672.db2.gz VEAYFLRIOZYDNU-UHFFFAOYSA-N -1 3 393.367 1.434 20 5 GDBDHM O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1sccc1-c1nnn[n-]1 ZINC000826411819 948250312 /nfs/dbraw/zinc/25/03/12/948250312.db2.gz OVBCWATYYYWGNQ-UHFFFAOYSA-N -1 3 386.397 1.228 20 5 GDBDHM O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1sccc1-c1nn[n-]n1 ZINC000826411819 948250326 /nfs/dbraw/zinc/25/03/26/948250326.db2.gz OVBCWATYYYWGNQ-UHFFFAOYSA-N -1 3 386.397 1.228 20 5 GDBDHM CC(C)(C)OC(=O)N1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001573852105 950302003 /nfs/dbraw/zinc/30/20/03/950302003.db2.gz DAZVOOKIPAOORJ-VIFPVBQESA-N -1 3 390.404 1.778 20 5 GDBDHM CC(C)(C)OC(=O)N1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001573852105 950302023 /nfs/dbraw/zinc/30/20/23/950302023.db2.gz DAZVOOKIPAOORJ-VIFPVBQESA-N -1 3 390.404 1.778 20 5 GDBDHM 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392.372 1.954 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738369366 598692368 /nfs/dbraw/zinc/69/23/68/598692368.db2.gz LZBZVSCGELMTRJ-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738369366 598692370 /nfs/dbraw/zinc/69/23/70/598692370.db2.gz LZBZVSCGELMTRJ-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737925169 598738902 /nfs/dbraw/zinc/73/89/02/598738902.db2.gz OUGKNAQQXCTIRE-UHFFFAOYSA-N -1 3 385.340 1.204 20 5 GDBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737925169 598738903 /nfs/dbraw/zinc/73/89/03/598738903.db2.gz OUGKNAQQXCTIRE-UHFFFAOYSA-N -1 3 385.340 1.204 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737612274 598747206 /nfs/dbraw/zinc/74/72/06/598747206.db2.gz YARZXZXLYGIIML-UHFFFAOYSA-N -1 3 397.395 1.797 20 5 GDBDHM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735589577 598795122 /nfs/dbraw/zinc/79/51/22/598795122.db2.gz MOHGSYQDXLHHLB-LLVKDONJSA-N -1 3 388.432 1.549 20 5 GDBDHM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735589577 598795123 /nfs/dbraw/zinc/79/51/23/598795123.db2.gz MOHGSYQDXLHHLB-LLVKDONJSA-N -1 3 388.432 1.549 20 5 GDBDHM O=C(NCc1ccco1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000738124962 598814786 /nfs/dbraw/zinc/81/47/86/598814786.db2.gz XSYJMRVLCRFALL-AWEZNQCLSA-N -1 3 383.368 1.653 20 5 GDBDHM O=C(NCc1ccco1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000738124962 598814787 /nfs/dbraw/zinc/81/47/87/598814787.db2.gz XSYJMRVLCRFALL-AWEZNQCLSA-N -1 3 383.368 1.653 20 5 GDBDHM Cc1c(F)cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822034810 599340721 /nfs/dbraw/zinc/34/07/21/599340721.db2.gz LTGZHAOMTIASOQ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1c(F)cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822034810 599340724 /nfs/dbraw/zinc/34/07/24/599340724.db2.gz LTGZHAOMTIASOQ-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM C[C@@H](O)CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736145871 599348229 /nfs/dbraw/zinc/34/82/29/599348229.db2.gz DBTKUNYOMACMKK-SNVBAGLBSA-N -1 3 384.352 1.678 20 5 GDBDHM C[C@@H](O)CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736145871 599348231 /nfs/dbraw/zinc/34/82/31/599348231.db2.gz DBTKUNYOMACMKK-SNVBAGLBSA-N -1 3 384.352 1.678 20 5 GDBDHM C[C@H]1CN(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761300 599514361 /nfs/dbraw/zinc/51/43/61/599514361.db2.gz WWMUXDFVKROJAK-NSHDSACASA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@H]1CN(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761300 599514363 /nfs/dbraw/zinc/51/43/63/599514363.db2.gz WWMUXDFVKROJAK-NSHDSACASA-N -1 3 384.400 1.456 20 5 GDBDHM Cc1nn(CCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000822500752 599515624 /nfs/dbraw/zinc/51/56/24/599515624.db2.gz FFWUJDPBQSWACN-JTQLQIEISA-N -1 3 384.400 1.856 20 5 GDBDHM Cc1nn(CCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000822500752 599515627 /nfs/dbraw/zinc/51/56/27/599515627.db2.gz FFWUJDPBQSWACN-JTQLQIEISA-N -1 3 384.400 1.856 20 5 GDBDHM Cc1nn(CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000822500753 599515962 /nfs/dbraw/zinc/51/59/62/599515962.db2.gz FFWUJDPBQSWACN-SNVBAGLBSA-N -1 3 384.400 1.856 20 5 GDBDHM Cc1nn(CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000822500753 599515963 /nfs/dbraw/zinc/51/59/63/599515963.db2.gz FFWUJDPBQSWACN-SNVBAGLBSA-N -1 3 384.400 1.856 20 5 GDBDHM CCc1nc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000821504816 599528621 /nfs/dbraw/zinc/52/86/21/599528621.db2.gz LFMDQTJTGDEZJD-UHFFFAOYSA-N -1 3 381.356 1.923 20 5 GDBDHM CCc1nc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000821504816 599528625 /nfs/dbraw/zinc/52/86/25/599528625.db2.gz LFMDQTJTGDEZJD-UHFFFAOYSA-N -1 3 381.356 1.923 20 5 GDBDHM CCN1CCO[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821277756 599541854 /nfs/dbraw/zinc/54/18/54/599541854.db2.gz XGHNYZGKSHVDOS-GFCCVEGCSA-N -1 3 384.400 1.456 20 5 GDBDHM CCN1CCO[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821277756 599541857 /nfs/dbraw/zinc/54/18/57/599541857.db2.gz XGHNYZGKSHVDOS-GFCCVEGCSA-N -1 3 384.400 1.456 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000826251534 607384807 /nfs/dbraw/zinc/38/48/07/607384807.db2.gz SHJZXKGPDVGQEI-UHFFFAOYSA-N -1 3 396.363 1.903 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000826251534 607384808 /nfs/dbraw/zinc/38/48/08/607384808.db2.gz SHJZXKGPDVGQEI-UHFFFAOYSA-N -1 3 396.363 1.903 20 5 GDBDHM Cn1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822679536 599586231 /nfs/dbraw/zinc/58/62/31/599586231.db2.gz FPYAFJOVGLPLIH-AWEZNQCLSA-N -1 3 383.372 1.116 20 5 GDBDHM Cn1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822679536 599586233 /nfs/dbraw/zinc/58/62/33/599586233.db2.gz FPYAFJOVGLPLIH-AWEZNQCLSA-N -1 3 383.372 1.116 20 5 GDBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820925908 599692390 /nfs/dbraw/zinc/69/23/90/599692390.db2.gz MYPFNBMSWWQFRA-ZDUSSCGKSA-N -1 3 399.415 1.324 20 5 GDBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820925908 599692391 /nfs/dbraw/zinc/69/23/91/599692391.db2.gz MYPFNBMSWWQFRA-ZDUSSCGKSA-N -1 3 399.415 1.324 20 5 GDBDHM COC1CCN(C(C)(C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737736475 599762165 /nfs/dbraw/zinc/76/21/65/599762165.db2.gz VMQRGCDCFZFDRO-UHFFFAOYSA-N -1 3 379.413 1.912 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000826498432 607465658 /nfs/dbraw/zinc/46/56/58/607465658.db2.gz UOKZMALIJLSFDE-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000826498432 607465660 /nfs/dbraw/zinc/46/56/60/607465660.db2.gz UOKZMALIJLSFDE-UHFFFAOYSA-N -1 3 388.338 1.775 20 5 GDBDHM CN1CCC[C@@H]1C(=O)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830934669 604278090 /nfs/dbraw/zinc/27/80/90/604278090.db2.gz IXMYUKCIAOBHAU-CYBMUJFWSA-N -1 3 396.831 1.689 20 5 GDBDHM CC(C)N1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000833499453 605389115 /nfs/dbraw/zinc/38/91/15/605389115.db2.gz GPWKGQIEHCORCY-UHFFFAOYSA-N -1 3 385.442 1.786 20 5 GDBDHM NC(=O)c1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822885647 606147212 /nfs/dbraw/zinc/14/72/12/606147212.db2.gz RATGANFTESUJJC-UHFFFAOYSA-N -1 3 382.336 1.160 20 5 GDBDHM NC(=O)c1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822885647 606147214 /nfs/dbraw/zinc/14/72/14/606147214.db2.gz RATGANFTESUJJC-UHFFFAOYSA-N -1 3 382.336 1.160 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(OC[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823647198 606231839 /nfs/dbraw/zinc/23/18/39/606231839.db2.gz HVANJPAUDUZQDM-CYBMUJFWSA-N -1 3 375.389 1.334 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(OC[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823647198 606231840 /nfs/dbraw/zinc/23/18/40/606231840.db2.gz HVANJPAUDUZQDM-CYBMUJFWSA-N -1 3 375.389 1.334 20 5 GDBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000823345622 606265382 /nfs/dbraw/zinc/26/53/82/606265382.db2.gz ATQGOXSXBZUNIO-UHFFFAOYSA-N -1 3 395.314 1.747 20 5 GDBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000823345622 606265384 /nfs/dbraw/zinc/26/53/84/606265384.db2.gz ATQGOXSXBZUNIO-UHFFFAOYSA-N -1 3 395.314 1.747 20 5 GDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000822660357 606389560 /nfs/dbraw/zinc/38/95/60/606389560.db2.gz XTOMJDIVPBMLJA-UHFFFAOYSA-N -1 3 389.303 1.048 20 5 GDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000822660357 606389561 /nfs/dbraw/zinc/38/95/61/606389561.db2.gz XTOMJDIVPBMLJA-UHFFFAOYSA-N -1 3 389.303 1.048 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822458920 606413370 /nfs/dbraw/zinc/41/33/70/606413370.db2.gz JDNSDUVRMFLZCE-UHFFFAOYSA-N -1 3 390.791 1.986 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822458920 606413372 /nfs/dbraw/zinc/41/33/72/606413372.db2.gz JDNSDUVRMFLZCE-UHFFFAOYSA-N -1 3 390.791 1.986 20 5 GDBDHM COC(=O)C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821660081 606428191 /nfs/dbraw/zinc/42/81/91/606428191.db2.gz FIFZYHVLWUIPEF-LLVKDONJSA-N -1 3 399.367 1.091 20 5 GDBDHM COC(=O)C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821660081 606428193 /nfs/dbraw/zinc/42/81/93/606428193.db2.gz FIFZYHVLWUIPEF-LLVKDONJSA-N -1 3 399.367 1.091 20 5 GDBDHM CC(C)COC[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820102576 606455066 /nfs/dbraw/zinc/45/50/66/606455066.db2.gz BUXBXBYOMFBLCE-LBPRGKRZSA-N -1 3 387.400 1.769 20 5 GDBDHM CC(C)COC[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820102576 606455067 /nfs/dbraw/zinc/45/50/67/606455067.db2.gz BUXBXBYOMFBLCE-LBPRGKRZSA-N -1 3 387.400 1.769 20 5 GDBDHM Cc1cccc(NC[C@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822324196 606705134 /nfs/dbraw/zinc/70/51/34/606705134.db2.gz XLHSDGMGDXUPTB-GFCCVEGCSA-N -1 3 381.400 1.812 20 5 GDBDHM Cc1cccc(NC[C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822324196 606705136 /nfs/dbraw/zinc/70/51/36/606705136.db2.gz XLHSDGMGDXUPTB-GFCCVEGCSA-N -1 3 381.400 1.812 20 5 GDBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820511887 606795894 /nfs/dbraw/zinc/79/58/94/606795894.db2.gz FAWZBLRXLMEQIL-VIFPVBQESA-N -1 3 383.324 1.354 20 5 GDBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820511887 606795896 /nfs/dbraw/zinc/79/58/96/606795896.db2.gz FAWZBLRXLMEQIL-VIFPVBQESA-N -1 3 383.324 1.354 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2ncn(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000823645512 606862630 /nfs/dbraw/zinc/86/26/30/606862630.db2.gz SDQQCZICLJSUGV-OAHLLOKOSA-N -1 3 378.352 1.767 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2ncn(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000823645512 606862632 /nfs/dbraw/zinc/86/26/32/606862632.db2.gz SDQQCZICLJSUGV-OAHLLOKOSA-N -1 3 378.352 1.767 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000823629754 606878801 /nfs/dbraw/zinc/87/88/01/606878801.db2.gz GPPZVDPNPAYYMV-DOMZBBRYSA-N -1 3 386.368 1.697 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000823629754 606878803 /nfs/dbraw/zinc/87/88/03/606878803.db2.gz GPPZVDPNPAYYMV-DOMZBBRYSA-N -1 3 386.368 1.697 20 5 GDBDHM C[C@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[S@](C)=O ZINC000820242326 607041344 /nfs/dbraw/zinc/04/13/44/607041344.db2.gz MZGBSKDHKKOASC-BGGANLFTSA-N -1 3 375.414 1.892 20 5 GDBDHM C[C@H](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[S@](C)=O ZINC000820242326 607041346 /nfs/dbraw/zinc/04/13/46/607041346.db2.gz MZGBSKDHKKOASC-BGGANLFTSA-N -1 3 375.414 1.892 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(CN2CCOCC2)cc1 ZINC000823625194 607165380 /nfs/dbraw/zinc/16/53/80/607165380.db2.gz SQFSLNCQUVDXHK-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(CN2CCOCC2)cc1 ZINC000823625194 607165381 /nfs/dbraw/zinc/16/53/81/607165381.db2.gz SQFSLNCQUVDXHK-UHFFFAOYSA-N -1 3 396.411 1.614 20 5 GDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823202138 607232223 /nfs/dbraw/zinc/23/22/23/607232223.db2.gz QKWSLCBSLZKMAW-UHFFFAOYSA-N -1 3 388.775 1.665 20 5 GDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823202138 607232224 /nfs/dbraw/zinc/23/22/24/607232224.db2.gz QKWSLCBSLZKMAW-UHFFFAOYSA-N -1 3 388.775 1.665 20 5 GDBDHM O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826463267 607777785 /nfs/dbraw/zinc/77/77/85/607777785.db2.gz YAUHZQOKTKYUNA-UHFFFAOYSA-N -1 3 398.383 1.571 20 5 GDBDHM CC(=O)N1CC[C@H](CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000823975370 607849258 /nfs/dbraw/zinc/84/92/58/607849258.db2.gz XSFMXBCWOOKMKL-GFCCVEGCSA-N -1 3 396.411 1.628 20 5 GDBDHM CC(=O)N1CC[C@H](CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000823975370 607849259 /nfs/dbraw/zinc/84/92/59/607849259.db2.gz XSFMXBCWOOKMKL-GFCCVEGCSA-N -1 3 396.411 1.628 20 5 GDBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826167369 607871873 /nfs/dbraw/zinc/87/18/73/607871873.db2.gz ADJBVLLPTCONGI-JTQLQIEISA-N -1 3 395.763 1.073 20 5 GDBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826167369 607871874 /nfs/dbraw/zinc/87/18/74/607871874.db2.gz ADJBVLLPTCONGI-JTQLQIEISA-N -1 3 395.763 1.073 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826499912 607943498 /nfs/dbraw/zinc/94/34/98/607943498.db2.gz DMALOOYVMGFAJU-OAHLLOKOSA-N -1 3 396.407 1.573 20 5 GDBDHM Cc1c(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000826240962 607984002 /nfs/dbraw/zinc/98/40/02/607984002.db2.gz MYZIHDBCJSSKOJ-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM Cc1c(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000826240962 607984003 /nfs/dbraw/zinc/98/40/03/607984003.db2.gz MYZIHDBCJSSKOJ-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824739414 608004500 /nfs/dbraw/zinc/00/45/00/608004500.db2.gz WTAHVBXJXMMFSW-GFCCVEGCSA-N -1 3 382.380 1.901 20 5 GDBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735628705 608051792 /nfs/dbraw/zinc/05/17/92/608051792.db2.gz YLNAVKWFUJSVLJ-JTQLQIEISA-N -1 3 390.404 1.981 20 5 GDBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735628705 608051793 /nfs/dbraw/zinc/05/17/93/608051793.db2.gz YLNAVKWFUJSVLJ-JTQLQIEISA-N -1 3 390.404 1.981 20 5 GDBDHM Cc1nn(C)c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1[N+](=O)[O-] ZINC000826332820 608088992 /nfs/dbraw/zinc/08/89/92/608088992.db2.gz JBEOLUXHCOHWCR-CYBMUJFWSA-N -1 3 398.383 1.031 20 5 GDBDHM Cc1nn(C)c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1[N+](=O)[O-] ZINC000826332820 608088993 /nfs/dbraw/zinc/08/89/93/608088993.db2.gz JBEOLUXHCOHWCR-CYBMUJFWSA-N -1 3 398.383 1.031 20 5 GDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826422796 608089914 /nfs/dbraw/zinc/08/99/14/608089914.db2.gz MJHAJNHKKSRXTP-QGZVFWFLSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826422796 608089915 /nfs/dbraw/zinc/08/99/15/608089915.db2.gz MJHAJNHKKSRXTP-QGZVFWFLSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826442823 608114315 /nfs/dbraw/zinc/11/43/15/608114315.db2.gz MHZUWLLAIBBYDU-UHFFFAOYSA-N -1 3 390.363 1.891 20 5 GDBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826442823 608114316 /nfs/dbraw/zinc/11/43/16/608114316.db2.gz MHZUWLLAIBBYDU-UHFFFAOYSA-N -1 3 390.363 1.891 20 5 GDBDHM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824463675 608123924 /nfs/dbraw/zinc/12/39/24/608123924.db2.gz APEIAJQJYNQYKS-NSHDSACASA-N -1 3 392.379 1.985 20 5 GDBDHM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824463675 608123925 /nfs/dbraw/zinc/12/39/25/608123925.db2.gz APEIAJQJYNQYKS-NSHDSACASA-N -1 3 392.379 1.985 20 5 GDBDHM Cn1cc([C@H](O)C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000826359855 608301982 /nfs/dbraw/zinc/30/19/82/608301982.db2.gz RPFFLMOFYBKHOK-CZUORRHYSA-N -1 3 384.400 1.601 20 5 GDBDHM Cn1cc([C@H](O)C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000826359855 608301983 /nfs/dbraw/zinc/30/19/83/608301983.db2.gz RPFFLMOFYBKHOK-CZUORRHYSA-N -1 3 384.400 1.601 20 5 GDBDHM Cc1nn([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)c1[N+](=O)[O-] ZINC000826333987 609427824 /nfs/dbraw/zinc/42/78/24/609427824.db2.gz CCJZQBQJOIURLJ-AWEZNQCLSA-N -1 3 382.384 1.956 20 5 GDBDHM Cc1nn([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)c1[N+](=O)[O-] ZINC000826333987 609427825 /nfs/dbraw/zinc/42/78/25/609427825.db2.gz CCJZQBQJOIURLJ-AWEZNQCLSA-N -1 3 382.384 1.956 20 5 GDBDHM O=[N+]([O-])c1cccc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)c1 ZINC000826499646 609462274 /nfs/dbraw/zinc/46/22/74/609462274.db2.gz QXWFZNKYURXTOM-UHFFFAOYSA-N -1 3 391.395 1.749 20 5 GDBDHM O=[N+]([O-])c1cccc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)c1 ZINC000826499646 609462275 /nfs/dbraw/zinc/46/22/75/609462275.db2.gz QXWFZNKYURXTOM-UHFFFAOYSA-N -1 3 391.395 1.749 20 5 GDBDHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000826430613 609607034 /nfs/dbraw/zinc/60/70/34/609607034.db2.gz HCKAHVFOVSLMAY-ZDUSSCGKSA-N -1 3 396.367 1.028 20 5 GDBDHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000826430613 609607035 /nfs/dbraw/zinc/60/70/35/609607035.db2.gz HCKAHVFOVSLMAY-ZDUSSCGKSA-N -1 3 396.367 1.028 20 5 GDBDHM COC(=O)Cc1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000541433909 650384451 /nfs/dbraw/zinc/38/44/51/650384451.db2.gz NGCWRHMFZCBJFT-UHFFFAOYSA-N -1 3 385.789 1.813 20 5 GDBDHM Cn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1=O ZINC000130041370 644737399 /nfs/dbraw/zinc/73/73/99/644737399.db2.gz UPSPAZFEOTWKIT-UHFFFAOYSA-N -1 3 388.199 1.857 20 5 GDBDHM Cc1c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cnn1C ZINC000152586290 644789451 /nfs/dbraw/zinc/78/94/51/644789451.db2.gz ZRBPBPNFLXTHOO-UHFFFAOYSA-N -1 3 389.231 1.878 20 5 GDBDHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000371022939 645722273 /nfs/dbraw/zinc/72/22/73/645722273.db2.gz PEDGXMJEZLIGDE-JTQLQIEISA-N -1 3 385.833 1.539 20 5 GDBDHM COC(=O)c1nscc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1 ZINC000443097861 647180871 /nfs/dbraw/zinc/18/08/71/647180871.db2.gz ZPYRBEWCRWSEOR-UHFFFAOYSA-N -1 3 386.411 1.228 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000469317218 647706015 /nfs/dbraw/zinc/70/60/15/647706015.db2.gz VRLHYSFZQDQFHP-JTQLQIEISA-N -1 3 390.311 1.988 20 5 GDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589923826 652120690 /nfs/dbraw/zinc/12/06/90/652120690.db2.gz VQTDJFJDGBXEOA-UFBFGSQYSA-N -1 3 384.332 1.728 20 5 GDBDHM COC[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000594794795 652365990 /nfs/dbraw/zinc/36/59/90/652365990.db2.gz FNQVUFCWZFILLM-SNVBAGLBSA-N -1 3 397.247 1.687 20 5 GDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000595352910 652410870 /nfs/dbraw/zinc/41/08/70/652410870.db2.gz MXBZPCOCHKMKHL-NSHDSACASA-N -1 3 378.353 1.951 20 5 GDBDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000601448858 652583192 /nfs/dbraw/zinc/58/31/92/652583192.db2.gz QIWLMRONNYOMPQ-UHFFFAOYSA-N -1 3 378.248 1.730 20 5 GDBDHM COC(=O)C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCOC1 ZINC000770293260 654508018 /nfs/dbraw/zinc/50/80/18/654508018.db2.gz PYWHYEOINZUJLC-AWEZNQCLSA-N -1 3 392.817 1.639 20 5 GDBDHM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742313685 654702386 /nfs/dbraw/zinc/70/23/86/654702386.db2.gz WTICWXHVVAGQPR-SECBINFHSA-N -1 3 397.247 1.687 20 5 GDBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782345265 654829007 /nfs/dbraw/zinc/82/90/07/654829007.db2.gz ZPBUKFJZMPJGFS-UHFFFAOYSA-N -1 3 380.806 1.247 20 5 GDBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000800051048 654869259 /nfs/dbraw/zinc/86/92/59/654869259.db2.gz FFFZIUVTLUWOMK-UHFFFAOYSA-N -1 3 389.386 1.491 20 5 GDBDHM C[C@@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000751394480 654886146 /nfs/dbraw/zinc/88/61/46/654886146.db2.gz VUGYHGAWSFAKCO-GFCCVEGCSA-N -1 3 379.232 1.797 20 5 GDBDHM 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C[C@@H]1C[C@@H]1N1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000820677233 599092495 /nfs/dbraw/zinc/09/24/95/599092495.db2.gz QBDOHXCHBZBMEH-FCHSOHFDSA-N -1 3 394.395 1.744 20 5 GDBDHM NC(=O)[C@H](OC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735416 599113112 /nfs/dbraw/zinc/11/31/12/599113112.db2.gz CXXRLGDEQDNIFA-BPAYBPMLSA-N -1 3 394.347 1.558 20 5 GDBDHM NC(=O)[C@H](OC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735416 599113114 /nfs/dbraw/zinc/11/31/14/599113114.db2.gz CXXRLGDEQDNIFA-BPAYBPMLSA-N -1 3 394.347 1.558 20 5 GDBDHM Cc1cccc(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737396333 599275082 /nfs/dbraw/zinc/27/50/82/599275082.db2.gz HZPIPDMKUZYXCL-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1cccc(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737396333 599275085 /nfs/dbraw/zinc/27/50/85/599275085.db2.gz HZPIPDMKUZYXCL-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM 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ZINC000737220024 598330036 /nfs/dbraw/zinc/33/00/36/598330036.db2.gz UZTGWBKONXKFCY-UHFFFAOYSA-N -1 3 399.342 1.477 20 5 GDBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737248530 598408692 /nfs/dbraw/zinc/40/86/92/598408692.db2.gz IBOHXKIDIIOPLJ-UHFFFAOYSA-N -1 3 395.379 1.760 20 5 GDBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737248530 598408693 /nfs/dbraw/zinc/40/86/93/598408693.db2.gz IBOHXKIDIIOPLJ-UHFFFAOYSA-N -1 3 395.379 1.760 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCCN(Cc3cscn3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370032 598459326 /nfs/dbraw/zinc/45/93/26/598459326.db2.gz MVKBDKGWCFTJRG-UHFFFAOYSA-N -1 3 386.441 1.944 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCCN(Cc3cscn3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370032 598459327 /nfs/dbraw/zinc/45/93/27/598459327.db2.gz MVKBDKGWCFTJRG-UHFFFAOYSA-N -1 3 386.441 1.944 20 5 GDBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736158819 598480845 /nfs/dbraw/zinc/48/08/45/598480845.db2.gz JSWCCQBJXRHMEM-SECBINFHSA-N -1 3 383.324 1.354 20 5 GDBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736158819 598480847 /nfs/dbraw/zinc/48/08/47/598480847.db2.gz JSWCCQBJXRHMEM-SECBINFHSA-N -1 3 383.324 1.354 20 5 GDBDHM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736788140 598501872 /nfs/dbraw/zinc/50/18/72/598501872.db2.gz PVQCKAPKMQJBPV-UHFFFAOYSA-N -1 3 390.310 1.523 20 5 GDBDHM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736788140 598501874 /nfs/dbraw/zinc/50/18/74/598501874.db2.gz PVQCKAPKMQJBPV-UHFFFAOYSA-N -1 3 390.310 1.523 20 5 GDBDHM Cc1cc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737244060 598531649 /nfs/dbraw/zinc/53/16/49/598531649.db2.gz XNKIDITVZKZODA-UHFFFAOYSA-N -1 3 397.351 1.461 20 5 GDBDHM Cc1cc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737244060 598531651 /nfs/dbraw/zinc/53/16/51/598531651.db2.gz XNKIDITVZKZODA-UHFFFAOYSA-N -1 3 397.351 1.461 20 5 GDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737911082 598568306 /nfs/dbraw/zinc/56/83/06/598568306.db2.gz NKQQRBLMKIKYRB-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737911082 598568307 /nfs/dbraw/zinc/56/83/07/598568307.db2.gz NKQQRBLMKIKYRB-UHFFFAOYSA-N -1 3 392.328 1.771 20 5 GDBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738214376 598583774 /nfs/dbraw/zinc/58/37/74/598583774.db2.gz LVDJNRJORRBVPK-OAHLLOKOSA-N -1 3 394.347 1.737 20 5 GDBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738214376 598583776 /nfs/dbraw/zinc/58/37/76/598583776.db2.gz LVDJNRJORRBVPK-OAHLLOKOSA-N -1 3 394.347 1.737 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](N(C)c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nn1 ZINC000737352285 598672736 /nfs/dbraw/zinc/67/27/36/598672736.db2.gz PSEZMXUJSVTEGM-CQSZACIVSA-N -1 3 395.427 1.979 20 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NC(=O)c1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737761872 598747669 /nfs/dbraw/zinc/74/76/69/598747669.db2.gz UKMYSDSGRLKFFY-NSHDSACASA-N -1 3 394.395 1.565 20 5 GDBDHM NC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737730754 598799025 /nfs/dbraw/zinc/79/90/25/598799025.db2.gz KSEMEAGYPDKKMI-LLVKDONJSA-N -1 3 385.359 1.670 20 5 GDBDHM NC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737730754 598799027 /nfs/dbraw/zinc/79/90/27/598799027.db2.gz KSEMEAGYPDKKMI-LLVKDONJSA-N -1 3 385.359 1.670 20 5 GDBDHM COc1cc(OC)c(OC)cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821724402 599316301 /nfs/dbraw/zinc/31/63/01/599316301.db2.gz USEQTIBFPOKZNL-UHFFFAOYSA-N -1 3 387.356 1.808 20 5 GDBDHM COc1cc(OC)c(OC)cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821724402 599316303 /nfs/dbraw/zinc/31/63/03/599316303.db2.gz USEQTIBFPOKZNL-UHFFFAOYSA-N -1 3 387.356 1.808 20 5 GDBDHM CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)no1 ZINC000736704446 599350310 /nfs/dbraw/zinc/35/03/10/599350310.db2.gz NJIVDBMNARHYSD-UHFFFAOYSA-N -1 3 385.388 1.043 20 5 GDBDHM CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)no1 ZINC000736704446 599350312 /nfs/dbraw/zinc/35/03/12/599350312.db2.gz NJIVDBMNARHYSD-UHFFFAOYSA-N -1 3 385.388 1.043 20 5 GDBDHM CC(C)N1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1=O ZINC000820127047 599559285 /nfs/dbraw/zinc/55/92/85/599559285.db2.gz HSKNUNTZCUMOCK-AWEZNQCLSA-N -1 3 382.384 1.744 20 5 GDBDHM CC(C)N1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1=O ZINC000820127047 599559287 /nfs/dbraw/zinc/55/92/87/599559287.db2.gz HSKNUNTZCUMOCK-AWEZNQCLSA-N -1 3 382.384 1.744 20 5 GDBDHM NC(=O)[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822860133 599567169 /nfs/dbraw/zinc/56/71/69/599567169.db2.gz NSLRRNZHVHTWNM-VHSXEESVSA-N -1 3 382.384 1.779 20 5 GDBDHM NC(=O)[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822860133 599567171 /nfs/dbraw/zinc/56/71/71/599567171.db2.gz NSLRRNZHVHTWNM-VHSXEESVSA-N -1 3 382.384 1.779 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCc2csc(N3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000823652015 599586607 /nfs/dbraw/zinc/58/66/07/599586607.db2.gz WCBRYBCHVGHMQL-UHFFFAOYSA-N -1 3 387.429 1.881 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCc2csc(N3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000823652015 599586609 /nfs/dbraw/zinc/58/66/09/599586609.db2.gz WCBRYBCHVGHMQL-UHFFFAOYSA-N -1 3 387.429 1.881 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271385 599619680 /nfs/dbraw/zinc/61/96/80/599619680.db2.gz YOMLWZVRLHJCQK-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822271385 599619681 /nfs/dbraw/zinc/61/96/81/599619681.db2.gz YOMLWZVRLHJCQK-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM CC(C)(C)OC(=O)NC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819984460 599686420 /nfs/dbraw/zinc/68/64/20/599686420.db2.gz 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O=C(N1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823140118 606633601 /nfs/dbraw/zinc/63/36/01/606633601.db2.gz OVFHBMLRAVFTSW-UHFFFAOYSA-N -1 3 399.333 1.988 20 5 GDBDHM O=C(N1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823140118 606633602 /nfs/dbraw/zinc/63/36/02/606633602.db2.gz OVFHBMLRAVFTSW-UHFFFAOYSA-N -1 3 399.333 1.988 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823488892 606793860 /nfs/dbraw/zinc/79/38/60/606793860.db2.gz XODPDRQTXBLLRX-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823488892 606793862 /nfs/dbraw/zinc/79/38/62/606793862.db2.gz XODPDRQTXBLLRX-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823551214 606848423 /nfs/dbraw/zinc/84/84/23/606848423.db2.gz JGPREAFZRRQNLH-CQSZACIVSA-N -1 3 380.320 1.105 20 5 GDBDHM 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/nfs/dbraw/zinc/12/03/92/599120392.db2.gz WSXBOHCUFSFCIQ-UHFFFAOYSA-N -1 3 396.411 1.643 20 5 GDBDHM NC(=O)[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737743978 599126866 /nfs/dbraw/zinc/12/68/66/599126866.db2.gz TWMYGUQXGFTYKL-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737743978 599126868 /nfs/dbraw/zinc/12/68/68/599126868.db2.gz TWMYGUQXGFTYKL-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM Cc1c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822069406 607269735 /nfs/dbraw/zinc/26/97/35/607269735.db2.gz ZJEOJZSUTQEXJJ-UHFFFAOYSA-N -1 3 395.379 1.842 20 5 GDBDHM Cc1c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822069406 607269736 /nfs/dbraw/zinc/26/97/36/607269736.db2.gz ZJEOJZSUTQEXJJ-UHFFFAOYSA-N -1 3 395.379 1.842 20 5 GDBDHM Cc1nsc(N2CCCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)n1 ZINC000822531170 607348586 /nfs/dbraw/zinc/34/85/86/607348586.db2.gz 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O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738236496 598477971 /nfs/dbraw/zinc/47/79/71/598477971.db2.gz KKSBTXAMSMIHRS-UHFFFAOYSA-N -1 3 384.308 1.393 20 5 GDBDHM COc1cccc(C(=O)NCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737120884 598497211 /nfs/dbraw/zinc/49/72/11/598497211.db2.gz IQOWWJZTJHYUTP-UHFFFAOYSA-N -1 3 384.356 1.020 20 5 GDBDHM COc1cccc(C(=O)NCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737120884 598497212 /nfs/dbraw/zinc/49/72/12/598497212.db2.gz IQOWWJZTJHYUTP-UHFFFAOYSA-N -1 3 384.356 1.020 20 5 GDBDHM CC(C)c1nc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)no1 ZINC000735939970 598499805 /nfs/dbraw/zinc/49/98/05/598499805.db2.gz MZBXRDUZWNHJJZ-LLVKDONJSA-N -1 3 387.360 1.254 20 5 GDBDHM CC(C)c1nc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)no1 ZINC000735939970 598499806 /nfs/dbraw/zinc/49/98/06/598499806.db2.gz MZBXRDUZWNHJJZ-LLVKDONJSA-N -1 3 387.360 1.254 20 5 GDBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737799322 598512511 /nfs/dbraw/zinc/51/25/11/598512511.db2.gz NRIFTMBYPIKIRH-VMPITWQZSA-N -1 3 381.352 1.838 20 5 GDBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737799322 598512513 /nfs/dbraw/zinc/51/25/13/598512513.db2.gz NRIFTMBYPIKIRH-VMPITWQZSA-N -1 3 381.352 1.838 20 5 GDBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000736170349 598587621 /nfs/dbraw/zinc/58/76/21/598587621.db2.gz PMHMYBDXEONZKQ-LBPRGKRZSA-N -1 3 398.379 1.737 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736095553 598638461 /nfs/dbraw/zinc/63/84/61/598638461.db2.gz GNNSPDWTZRRFST-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736095553 598638463 /nfs/dbraw/zinc/63/84/63/598638463.db2.gz GNNSPDWTZRRFST-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM Cc1ccc(N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)nn1 ZINC000737351546 598672634 /nfs/dbraw/zinc/67/26/34/598672634.db2.gz LSIYAKBCASCQIR-AWEZNQCLSA-N -1 3 395.427 1.979 20 5 GDBDHM Cc1ccc(N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nn1 ZINC000737351546 598672637 /nfs/dbraw/zinc/67/26/37/598672637.db2.gz LSIYAKBCASCQIR-AWEZNQCLSA-N -1 3 395.427 1.979 20 5 GDBDHM O=[N+]([O-])c1ccc(Nc2cnn(CCN3CCOCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738366688 598673792 /nfs/dbraw/zinc/67/37/92/598673792.db2.gz HRQWPTXTTLEKKU-UHFFFAOYSA-N -1 3 385.388 1.047 20 5 GDBDHM O=[N+]([O-])c1ccc(Nc2cnn(CCN3CCOCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738366688 598673795 /nfs/dbraw/zinc/67/37/95/598673795.db2.gz HRQWPTXTTLEKKU-UHFFFAOYSA-N -1 3 385.388 1.047 20 5 GDBDHM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000738367349 598689565 /nfs/dbraw/zinc/68/95/65/598689565.db2.gz RHVFBOGJLRFJGL-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=[N+]([O-])c1cnc(NCc2ccccc2N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738373833 598723904 /nfs/dbraw/zinc/72/39/04/598723904.db2.gz HTYOYKGTHVADJT-UHFFFAOYSA-N -1 3 382.384 1.619 20 5 GDBDHM O=[N+]([O-])c1cnc(NCc2ccccc2N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738373833 598723906 /nfs/dbraw/zinc/72/39/06/598723906.db2.gz HTYOYKGTHVADJT-UHFFFAOYSA-N -1 3 382.384 1.619 20 5 GDBDHM NC(=O)c1ccccc1N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737761981 598748016 /nfs/dbraw/zinc/74/80/16/598748016.db2.gz WDLWUAVTQIHSCJ-GFCCVEGCSA-N -1 3 394.395 1.565 20 5 GDBDHM NC(=O)c1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737761981 598748017 /nfs/dbraw/zinc/74/80/17/598748017.db2.gz WDLWUAVTQIHSCJ-GFCCVEGCSA-N -1 3 394.395 1.565 20 5 GDBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738249838 598754938 /nfs/dbraw/zinc/75/49/38/598754938.db2.gz XDXMNDGHEJBYKC-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM CS(=O)(=O)N(Cc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000737165737 598757538 /nfs/dbraw/zinc/75/75/38/598757538.db2.gz MXSJEYLXHLSJRV-UHFFFAOYSA-N -1 3 392.372 1.880 20 5 GDBDHM CS(=O)(=O)N(Cc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000737165737 598757539 /nfs/dbraw/zinc/75/75/39/598757539.db2.gz MXSJEYLXHLSJRV-UHFFFAOYSA-N -1 3 392.372 1.880 20 5 GDBDHM COc1ccccc1N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737154018 599314460 /nfs/dbraw/zinc/31/44/60/599314460.db2.gz YDZGDOXPZJYVGT-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM COc1ccccc1N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737154018 599314463 /nfs/dbraw/zinc/31/44/63/599314463.db2.gz YDZGDOXPZJYVGT-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM CCOc1ccccc1N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736653727 599323216 /nfs/dbraw/zinc/32/32/16/599323216.db2.gz LVNWYKUTIDWQPW-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM CCOc1ccccc1N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736653727 599323218 /nfs/dbraw/zinc/32/32/18/599323218.db2.gz LVNWYKUTIDWQPW-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738206367 599375434 /nfs/dbraw/zinc/37/54/34/599375434.db2.gz FLHORTUPYURZNN-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738206367 599375437 /nfs/dbraw/zinc/37/54/37/599375437.db2.gz FLHORTUPYURZNN-UHFFFAOYSA-N -1 3 392.788 1.983 20 5 GDBDHM CN(CC(=O)Nc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821593691 599399028 /nfs/dbraw/zinc/39/90/28/599399028.db2.gz FPSGDYLLWBKIGM-UHFFFAOYSA-N -1 3 388.775 1.898 20 5 GDBDHM CN(CC(=O)Nc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821593691 599399032 /nfs/dbraw/zinc/39/90/32/599399032.db2.gz FPSGDYLLWBKIGM-UHFFFAOYSA-N -1 3 388.775 1.898 20 5 GDBDHM Cc1cc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000822176335 599469892 /nfs/dbraw/zinc/46/98/92/599469892.db2.gz JMUWEQSHESJNGV-UHFFFAOYSA-N -1 3 383.368 1.474 20 5 GDBDHM CC(=O)NC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803669 599499522 /nfs/dbraw/zinc/49/95/22/599499522.db2.gz PAAQSWQXRQRPRX-LBPRGKRZSA-N -1 3 396.411 1.676 20 5 GDBDHM CC(=O)NC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000819803669 599499525 /nfs/dbraw/zinc/49/95/25/599499525.db2.gz PAAQSWQXRQRPRX-LBPRGKRZSA-N -1 3 396.411 1.676 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](C4OCCO4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645177 599518034 /nfs/dbraw/zinc/51/80/34/599518034.db2.gz PAMFIWOFBLKEAM-LLVKDONJSA-N -1 3 397.395 1.912 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](C4OCCO4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645177 599518035 /nfs/dbraw/zinc/51/80/35/599518035.db2.gz PAMFIWOFBLKEAM-LLVKDONJSA-N -1 3 397.395 1.912 20 5 GDBDHM CCOC(=O)c1ccnc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000736602472 599520103 /nfs/dbraw/zinc/52/01/03/599520103.db2.gz KYXVIVCWCPMTQR-UHFFFAOYSA-N -1 3 383.368 1.983 20 5 GDBDHM CCOC(=O)c1ccnc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000736602472 599520104 /nfs/dbraw/zinc/52/01/04/599520104.db2.gz KYXVIVCWCPMTQR-UHFFFAOYSA-N -1 3 383.368 1.983 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3Cn3cncn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645567 599538104 /nfs/dbraw/zinc/53/81/04/599538104.db2.gz UBOKLYDMXOXSJS-LBPRGKRZSA-N -1 3 392.383 1.584 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3Cn3cncn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645567 599538107 /nfs/dbraw/zinc/53/81/07/599538107.db2.gz UBOKLYDMXOXSJS-LBPRGKRZSA-N -1 3 392.383 1.584 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCOC[C@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644094 599548342 /nfs/dbraw/zinc/54/83/42/599548342.db2.gz FKNBJWAIAAVXPY-NSHDSACASA-N -1 3 385.384 1.788 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCOC[C@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644094 599548344 /nfs/dbraw/zinc/54/83/44/599548344.db2.gz FKNBJWAIAAVXPY-NSHDSACASA-N -1 3 385.384 1.788 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833054682 601733052 /nfs/dbraw/zinc/73/30/52/601733052.db2.gz QZKBPHVYZPXJRG-IBGZPJMESA-N -1 3 386.408 1.783 20 5 GDBDHM Cn1c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000833038664 601734786 /nfs/dbraw/zinc/73/47/86/601734786.db2.gz BGWKSGSQBWJPQU-IBGZPJMESA-N -1 3 386.408 1.783 20 5 GDBDHM Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826300606 607545405 /nfs/dbraw/zinc/54/54/05/607545405.db2.gz BBNOLLHMOSYXIS-UHFFFAOYSA-N -1 3 388.409 1.904 20 5 GDBDHM Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826300606 607545407 /nfs/dbraw/zinc/54/54/07/607545407.db2.gz BBNOLLHMOSYXIS-UHFFFAOYSA-N -1 3 388.409 1.904 20 5 GDBDHM COc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826211384 607575224 /nfs/dbraw/zinc/57/52/24/607575224.db2.gz ADPSXNWTHKNBSO-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826212200 607578530 /nfs/dbraw/zinc/57/85/30/607578530.db2.gz JRSSIUYARBRDMK-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409751 607655712 /nfs/dbraw/zinc/65/57/12/607655712.db2.gz NUFBEPQFRBKFHX-UHFFFAOYSA-N -1 3 378.304 1.254 20 5 GDBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409751 607655713 /nfs/dbraw/zinc/65/57/13/607655713.db2.gz NUFBEPQFRBKFHX-UHFFFAOYSA-N -1 3 378.304 1.254 20 5 GDBDHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833591786 605399690 /nfs/dbraw/zinc/39/96/90/605399690.db2.gz NEGKUENFKOATJY-JHJVBQTASA-N -1 3 399.469 1.938 20 5 GDBDHM COC(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000821667012 606265154 /nfs/dbraw/zinc/26/51/54/606265154.db2.gz QCDRMXXYRGJDEC-UHFFFAOYSA-N -1 3 386.299 1.953 20 5 GDBDHM COC(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000821667012 606265156 /nfs/dbraw/zinc/26/51/56/606265156.db2.gz QCDRMXXYRGJDEC-UHFFFAOYSA-N -1 3 386.299 1.953 20 5 GDBDHM COC(=O)[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642214 606298465 /nfs/dbraw/zinc/29/84/65/606298465.db2.gz FVEIHJPGQKGDSU-MRXNPFEDSA-N -1 3 397.395 1.691 20 5 GDBDHM COC(=O)[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642214 606298466 /nfs/dbraw/zinc/29/84/66/606298466.db2.gz FVEIHJPGQKGDSU-MRXNPFEDSA-N -1 3 397.395 1.691 20 5 GDBDHM COc1ccc(OC)c([C@H](O)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000821842101 606644902 /nfs/dbraw/zinc/64/49/02/606644902.db2.gz OKMJWWHUFYNMSM-OAHLLOKOSA-N -1 3 386.368 1.938 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccccc1-c1nnn[n-]1 ZINC000823656387 606693831 /nfs/dbraw/zinc/69/38/31/606693831.db2.gz CUMDOHMAGDFXLG-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccccc1-c1nn[n-]n1 ZINC000823656387 606693832 /nfs/dbraw/zinc/69/38/32/606693832.db2.gz CUMDOHMAGDFXLG-UHFFFAOYSA-N -1 3 377.158 1.747 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCCO[C@@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644713 606801325 /nfs/dbraw/zinc/80/13/25/606801325.db2.gz KRAUJSDNYASJCA-GFCCVEGCSA-N -1 3 385.384 1.931 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCCCO[C@@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644713 606801327 /nfs/dbraw/zinc/80/13/27/606801327.db2.gz KRAUJSDNYASJCA-GFCCVEGCSA-N -1 3 385.384 1.931 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2ncn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000823645511 606862586 /nfs/dbraw/zinc/86/25/86/606862586.db2.gz SDQQCZICLJSUGV-HNNXBMFYSA-N -1 3 378.352 1.767 20 5 GDBDHM O=[N+]([O-])c1cccc(-c2ncn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000823645511 606862587 /nfs/dbraw/zinc/86/25/87/606862587.db2.gz SDQQCZICLJSUGV-HNNXBMFYSA-N -1 3 378.352 1.767 20 5 GDBDHM O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)nc1-c1ccncc1 ZINC000823648061 606862661 /nfs/dbraw/zinc/86/26/61/606862661.db2.gz SKFWSRGWWOPMLT-OAHLLOKOSA-N -1 3 378.352 1.767 20 5 GDBDHM O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)nc1-c1ccncc1 ZINC000823648061 606862662 /nfs/dbraw/zinc/86/26/62/606862662.db2.gz SKFWSRGWWOPMLT-OAHLLOKOSA-N -1 3 378.352 1.767 20 5 GDBDHM CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735632921 606876235 /nfs/dbraw/zinc/87/62/35/606876235.db2.gz IPZDAVBDDGRCJI-LLVKDONJSA-N -1 3 375.389 1.878 20 5 GDBDHM CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735632921 606876237 /nfs/dbraw/zinc/87/62/37/606876237.db2.gz IPZDAVBDDGRCJI-LLVKDONJSA-N -1 3 375.389 1.878 20 5 GDBDHM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000823026688 606901212 /nfs/dbraw/zinc/90/12/12/606901212.db2.gz ARUYFBASSZVTIM-UHFFFAOYSA-N -1 3 386.299 1.710 20 5 GDBDHM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000823026688 606901213 /nfs/dbraw/zinc/90/12/13/606901213.db2.gz ARUYFBASSZVTIM-UHFFFAOYSA-N -1 3 386.299 1.710 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822459240 606948186 /nfs/dbraw/zinc/94/81/86/606948186.db2.gz ORUROPSEKURKJH-UHFFFAOYSA-N -1 3 387.356 1.292 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822459240 606948187 /nfs/dbraw/zinc/94/81/87/606948187.db2.gz ORUROPSEKURKJH-UHFFFAOYSA-N -1 3 387.356 1.292 20 5 GDBDHM O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823648205 607035801 /nfs/dbraw/zinc/03/58/01/607035801.db2.gz SSDRZLYXFGKOJK-UHFFFAOYSA-N -1 3 396.776 1.129 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCS3(=O)=O)cc(-c3nnn[n-]3)c2c1 ZINC000823645988 607036234 /nfs/dbraw/zinc/03/62/34/607036234.db2.gz ZACWXCJFEJGKKU-JTQLQIEISA-N -1 3 389.397 1.312 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCS3(=O)=O)cc(-c3nn[n-]n3)c2c1 ZINC000823645988 607036236 /nfs/dbraw/zinc/03/62/36/607036236.db2.gz ZACWXCJFEJGKKU-JTQLQIEISA-N -1 3 389.397 1.312 20 5 GDBDHM CCN(CCS(C)(=O)=O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825424472 607810413 /nfs/dbraw/zinc/81/04/13/607810413.db2.gz IFHYUYFPSBRVRR-UHFFFAOYSA-N -1 3 391.413 1.194 20 5 GDBDHM CCN(CCS(C)(=O)=O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825424472 607810414 /nfs/dbraw/zinc/81/04/14/607810414.db2.gz IFHYUYFPSBRVRR-UHFFFAOYSA-N -1 3 391.413 1.194 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])n1 ZINC000825804771 607851514 /nfs/dbraw/zinc/85/15/14/607851514.db2.gz GIZCRRXKRHLYRE-UHFFFAOYSA-N -1 3 393.385 1.376 20 5 GDBDHM CCn1cc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])n1 ZINC000825804771 607851515 /nfs/dbraw/zinc/85/15/15/607851515.db2.gz GIZCRRXKRHLYRE-UHFFFAOYSA-N -1 3 393.385 1.376 20 5 GDBDHM O=[N+]([O-])c1nn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826500628 607868668 /nfs/dbraw/zinc/86/86/68/607868668.db2.gz FYCNMMRXISCLDX-SNVBAGLBSA-N -1 3 380.162 1.468 20 5 GDBDHM O=[N+]([O-])c1nn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826500628 607868669 /nfs/dbraw/zinc/86/86/69/607868669.db2.gz FYCNMMRXISCLDX-SNVBAGLBSA-N -1 3 380.162 1.468 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826304722 607933782 /nfs/dbraw/zinc/93/37/82/607933782.db2.gz VZUBFXAMRYZCQX-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826304722 607933783 /nfs/dbraw/zinc/93/37/83/607933783.db2.gz VZUBFXAMRYZCQX-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826388695 607943275 /nfs/dbraw/zinc/94/32/75/607943275.db2.gz HFXVXCYUYWRXHV-INIZCTEOSA-N -1 3 379.380 1.360 20 5 GDBDHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826388695 607943276 /nfs/dbraw/zinc/94/32/76/607943276.db2.gz HFXVXCYUYWRXHV-INIZCTEOSA-N -1 3 379.380 1.360 20 5 GDBDHM Cc1cccc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826303688 607974082 /nfs/dbraw/zinc/97/40/82/607974082.db2.gz ZYLKLXCZJSMZTJ-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM Cc1cccc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826303688 607974083 /nfs/dbraw/zinc/97/40/83/607974083.db2.gz ZYLKLXCZJSMZTJ-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824744810 608004462 /nfs/dbraw/zinc/00/44/62/608004462.db2.gz GLQKQENPZNPNEL-GFCCVEGCSA-N -1 3 382.380 1.901 20 5 GDBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824744810 608004463 /nfs/dbraw/zinc/00/44/63/608004463.db2.gz GLQKQENPZNPNEL-GFCCVEGCSA-N -1 3 382.380 1.901 20 5 GDBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826417621 608143126 /nfs/dbraw/zinc/14/31/26/608143126.db2.gz XTSRKSRFLROYIR-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823980671 608158978 /nfs/dbraw/zinc/15/89/78/608158978.db2.gz GHIRNFDPJQXNPZ-LLVKDONJSA-N -1 3 393.791 1.768 20 5 GDBDHM CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823980671 608158979 /nfs/dbraw/zinc/15/89/79/608158979.db2.gz GHIRNFDPJQXNPZ-LLVKDONJSA-N -1 3 393.791 1.768 20 5 GDBDHM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826060445 608234108 /nfs/dbraw/zinc/23/41/08/608234108.db2.gz MSSUVUNHNYGXBX-MFKMUULPSA-N -1 3 382.384 1.650 20 5 GDBDHM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826060445 608234110 /nfs/dbraw/zinc/23/41/10/608234110.db2.gz MSSUVUNHNYGXBX-MFKMUULPSA-N -1 3 382.384 1.650 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000826499453 608329540 /nfs/dbraw/zinc/32/95/40/608329540.db2.gz JDIUGEKCHYDGEX-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000826499453 608329542 /nfs/dbraw/zinc/32/95/42/608329542.db2.gz JDIUGEKCHYDGEX-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000826172282 608349569 /nfs/dbraw/zinc/34/95/69/608349569.db2.gz XDHOFYJTIKSWCG-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000826172282 608349571 /nfs/dbraw/zinc/34/95/71/608349571.db2.gz XDHOFYJTIKSWCG-UHFFFAOYSA-N -1 3 384.352 1.939 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826240868 608472793 /nfs/dbraw/zinc/47/27/93/608472793.db2.gz JSDWZTYNKQJPMI-LLVKDONJSA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000826240868 608472795 /nfs/dbraw/zinc/47/27/95/608472795.db2.gz JSDWZTYNKQJPMI-LLVKDONJSA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826263623 608757845 /nfs/dbraw/zinc/75/78/45/608757845.db2.gz KPYQXWPHEPFTIB-UHFFFAOYSA-N -1 3 396.411 1.937 20 5 GDBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826263623 608757849 /nfs/dbraw/zinc/75/78/49/608757849.db2.gz KPYQXWPHEPFTIB-UHFFFAOYSA-N -1 3 396.411 1.937 20 5 GDBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1Cc1ccccn1 ZINC000826477929 609593754 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ZINC000736040156 598883181 /nfs/dbraw/zinc/88/31/81/598883181.db2.gz NPUATCHFCHFUGB-SNVBAGLBSA-N -1 3 384.352 1.981 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000737225259 598995066 /nfs/dbraw/zinc/99/50/66/598995066.db2.gz APUHUFOIZLJHEE-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000737225259 598995067 /nfs/dbraw/zinc/99/50/67/598995067.db2.gz APUHUFOIZLJHEE-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM CN(c1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736842532 599041961 /nfs/dbraw/zinc/04/19/61/599041961.db2.gz CEQIHPCJXLRNOA-UHFFFAOYSA-N -1 3 378.345 1.739 20 5 GDBDHM CN(c1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736842532 599041964 /nfs/dbraw/zinc/04/19/64/599041964.db2.gz CEQIHPCJXLRNOA-UHFFFAOYSA-N -1 3 378.345 1.739 20 5 GDBDHM Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207079 599107349 /nfs/dbraw/zinc/10/73/49/599107349.db2.gz 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O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(CCOc2ccccc2)CC1 ZINC000823620854 607163380 /nfs/dbraw/zinc/16/33/80/607163380.db2.gz RGNHQMHGGWKHSS-UHFFFAOYSA-N -1 3 396.411 1.371 20 5 GDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(CCOc2ccccc2)CC1 ZINC000823620854 607163381 /nfs/dbraw/zinc/16/33/81/607163381.db2.gz RGNHQMHGGWKHSS-UHFFFAOYSA-N -1 3 396.411 1.371 20 5 GDBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821412816 607194082 /nfs/dbraw/zinc/19/40/82/607194082.db2.gz RTIARAARLUPSDO-UHFFFAOYSA-N -1 3 387.360 1.192 20 5 GDBDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)n1cc([N+](=O)[O-])cn1 ZINC000819891842 607243190 /nfs/dbraw/zinc/24/31/90/607243190.db2.gz IDZSENOQDJKPFW-UHFFFAOYSA-N -1 3 376.764 1.999 20 5 GDBDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)n1cc([N+](=O)[O-])cn1 ZINC000819891842 607243191 /nfs/dbraw/zinc/24/31/91/607243191.db2.gz IDZSENOQDJKPFW-UHFFFAOYSA-N -1 3 376.764 1.999 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823647270 607251625 /nfs/dbraw/zinc/25/16/25/607251625.db2.gz JKZIZMZOKJCLLY-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823647270 607251626 /nfs/dbraw/zinc/25/16/26/607251626.db2.gz JKZIZMZOKJCLLY-UHFFFAOYSA-N -1 3 375.366 1.726 20 5 GDBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000826004015 607841213 /nfs/dbraw/zinc/84/12/13/607841213.db2.gz DYTPAYJXJONWPU-ZDUSSCGKSA-N -1 3 381.400 1.670 20 5 GDBDHM Cc1nc(C)n(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)n1 ZINC000826324188 607841990 /nfs/dbraw/zinc/84/19/90/607841990.db2.gz HXHCFQNLUQQGKN-ZDUSSCGKSA-N -1 3 383.416 1.900 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826499859 607939439 /nfs/dbraw/zinc/93/94/39/607939439.db2.gz AZRBXVASDFXKOV-UHFFFAOYSA-N -1 3 386.393 1.522 20 5 GDBDHM O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826499859 607939440 /nfs/dbraw/zinc/93/94/40/607939440.db2.gz AZRBXVASDFXKOV-UHFFFAOYSA-N -1 3 386.393 1.522 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826417828 607946625 /nfs/dbraw/zinc/94/66/25/607946625.db2.gz IBOPGIUGKLNFHV-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826417828 607946626 /nfs/dbraw/zinc/94/66/26/607946626.db2.gz IBOPGIUGKLNFHV-UHFFFAOYSA-N -1 3 384.327 1.882 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826280249 607974209 /nfs/dbraw/zinc/97/42/09/607974209.db2.gz UHSHGQABHZNMJT-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826280249 607974210 /nfs/dbraw/zinc/97/42/10/607974210.db2.gz UHSHGQABHZNMJT-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1F ZINC000826272663 608001594 /nfs/dbraw/zinc/00/15/94/608001594.db2.gz VORDVFMNZVUTAM-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1F ZINC000826272663 608001595 /nfs/dbraw/zinc/00/15/95/608001595.db2.gz VORDVFMNZVUTAM-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424162 608085820 /nfs/dbraw/zinc/08/58/20/608085820.db2.gz YHTMGGLLOJTBIK-QGZVFWFLSA-N -1 3 394.391 1.918 20 5 GDBDHM O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424162 608085821 /nfs/dbraw/zinc/08/58/21/608085821.db2.gz YHTMGGLLOJTBIK-QGZVFWFLSA-N -1 3 394.391 1.918 20 5 GDBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000826161281 608137801 /nfs/dbraw/zinc/13/78/01/608137801.db2.gz AANARLWSHSWYEH-UHFFFAOYSA-N -1 3 385.340 1.447 20 5 GDBDHM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824727510 608162912 /nfs/dbraw/zinc/16/29/12/608162912.db2.gz ADWFJAZGVSAOKV-WCBMZHEXSA-N -1 3 396.791 1.951 20 5 GDBDHM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824727510 608162913 /nfs/dbraw/zinc/16/29/13/608162913.db2.gz ADWFJAZGVSAOKV-WCBMZHEXSA-N -1 3 396.791 1.951 20 5 GDBDHM CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CCCCC2 ZINC000823982298 608231524 /nfs/dbraw/zinc/23/15/24/608231524.db2.gz ZIRIPVASPPNRAU-UHFFFAOYSA-N -1 3 386.416 1.541 20 5 GDBDHM CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CCCCC2 ZINC000823982298 608231526 /nfs/dbraw/zinc/23/15/26/608231526.db2.gz ZIRIPVASPPNRAU-UHFFFAOYSA-N -1 3 386.416 1.541 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000826500282 608268683 /nfs/dbraw/zinc/26/86/83/608268683.db2.gz RUPNSJQDQIRFHN-UHFFFAOYSA-N -1 3 392.372 1.898 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(c3nncn3C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500868 608380223 /nfs/dbraw/zinc/38/02/23/608380223.db2.gz PEKQFJCBUDGFDU-UHFFFAOYSA-N -1 3 382.388 1.480 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCC(c3nncn3C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500868 608380225 /nfs/dbraw/zinc/38/02/25/608380225.db2.gz PEKQFJCBUDGFDU-UHFFFAOYSA-N -1 3 382.388 1.480 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824641051 608426355 /nfs/dbraw/zinc/42/63/55/608426355.db2.gz RSFZOGQTIDJORK-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824641051 608426357 /nfs/dbraw/zinc/42/63/57/608426357.db2.gz RSFZOGQTIDJORK-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826240869 608472752 /nfs/dbraw/zinc/47/27/52/608472752.db2.gz JSDWZTYNKQJPMI-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000826240869 608472754 /nfs/dbraw/zinc/47/27/54/608472754.db2.gz JSDWZTYNKQJPMI-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000826459118 609312048 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ZINC000273495284 532153343 /nfs/dbraw/zinc/15/33/43/532153343.db2.gz HKDNQFHATOUUEK-QOLSBQFWSA-N -1 3 385.261 1.403 20 5 GDBDHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000287566718 532224085 /nfs/dbraw/zinc/22/40/85/532224085.db2.gz WPOZPXNDTYPENF-VIFPVBQESA-N -1 3 399.194 1.455 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(SC)CCOCC2)cc1[N+](=O)[O-] ZINC000275042949 532257204 /nfs/dbraw/zinc/25/72/04/532257204.db2.gz FVHAJKNCLWHXIU-UHFFFAOYSA-N -1 3 394.446 1.933 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000275125474 532267590 /nfs/dbraw/zinc/26/75/90/532267590.db2.gz ZLFCRDDWVUUFIQ-UWVGGRQHSA-N -1 3 378.378 1.215 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000275125607 532267617 /nfs/dbraw/zinc/26/76/17/532267617.db2.gz ZOLVGNGCMZPFIN-VIFPVBQESA-N -1 3 378.378 1.609 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1nnc(C)s1 ZINC000276343001 532327860 /nfs/dbraw/zinc/32/78/60/532327860.db2.gz KCTDEUQTAWLTBK-SSDOTTSWSA-N -1 3 386.411 1.581 20 5 GDBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000737278912 598868830 /nfs/dbraw/zinc/86/88/30/598868830.db2.gz GCYHDOQOXVZBHN-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000737278912 598868832 /nfs/dbraw/zinc/86/88/32/598868832.db2.gz GCYHDOQOXVZBHN-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(CC(F)(F)C(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000738369677 598914689 /nfs/dbraw/zinc/91/46/89/598914689.db2.gz LXNYJMKQFFEPCI-UHFFFAOYSA-N -1 3 389.313 1.797 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(CC(F)(F)C(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000738369677 598914690 /nfs/dbraw/zinc/91/46/90/598914690.db2.gz LXNYJMKQFFEPCI-UHFFFAOYSA-N -1 3 389.313 1.797 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000737297632 598953558 /nfs/dbraw/zinc/95/35/58/598953558.db2.gz IVWDMZMBUASXEK-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000737297632 598953560 /nfs/dbraw/zinc/95/35/60/598953560.db2.gz IVWDMZMBUASXEK-UHFFFAOYSA-N -1 3 388.409 1.604 20 5 GDBDHM CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736841992 599041640 /nfs/dbraw/zinc/04/16/40/599041640.db2.gz KVCQJFZDSUUQPB-UHFFFAOYSA-N -1 3 396.335 1.878 20 5 GDBDHM CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736841992 599041642 /nfs/dbraw/zinc/04/16/42/599041642.db2.gz KVCQJFZDSUUQPB-UHFFFAOYSA-N -1 3 396.335 1.878 20 5 GDBDHM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736842724 599042349 /nfs/dbraw/zinc/04/23/49/599042349.db2.gz VPTSOBMHERWYBW-UHFFFAOYSA-N -1 3 396.335 1.878 20 5 GDBDHM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736842724 599042353 /nfs/dbraw/zinc/04/23/53/599042353.db2.gz VPTSOBMHERWYBW-UHFFFAOYSA-N -1 3 396.335 1.878 20 5 GDBDHM Cc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737315155 599110718 /nfs/dbraw/zinc/11/07/18/599110718.db2.gz KHIYSJRLSXAVOW-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737315155 599110721 /nfs/dbraw/zinc/11/07/21/599110721.db2.gz KHIYSJRLSXAVOW-AWEZNQCLSA-N -1 3 382.336 1.467 20 5 GDBDHM COCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987784 599113911 /nfs/dbraw/zinc/11/39/11/599113911.db2.gz GFMBUWDDUORIPV-UHFFFAOYSA-N -1 3 386.372 1.041 20 5 GDBDHM COCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987784 599113912 /nfs/dbraw/zinc/11/39/12/599113912.db2.gz GFMBUWDDUORIPV-UHFFFAOYSA-N -1 3 386.372 1.041 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737282920 599124698 /nfs/dbraw/zinc/12/46/98/599124698.db2.gz KYBIPCXTRNWQEK-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM 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/nfs/dbraw/zinc/35/86/20/598358620.db2.gz RXBSUDNTERVNND-UHFFFAOYSA-N -1 3 387.356 1.329 20 5 GDBDHM CCc1nc(CN2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)no1 ZINC000736704671 598377152 /nfs/dbraw/zinc/37/71/52/598377152.db2.gz RAJGDJANCXQJCI-NSHDSACASA-N -1 3 399.415 1.797 20 5 GDBDHM CCc1nc(CN2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)no1 ZINC000736704671 598377153 /nfs/dbraw/zinc/37/71/53/598377153.db2.gz RAJGDJANCXQJCI-NSHDSACASA-N -1 3 399.415 1.797 20 5 GDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738194269 598382071 /nfs/dbraw/zinc/38/20/71/598382071.db2.gz BOJYNNWPLWYTJK-UHFFFAOYSA-N -1 3 380.368 1.444 20 5 GDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738194269 598382072 /nfs/dbraw/zinc/38/20/72/598382072.db2.gz BOJYNNWPLWYTJK-UHFFFAOYSA-N -1 3 380.368 1.444 20 5 GDBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1[N+](=O)[O-] ZINC000737892086 598410304 /nfs/dbraw/zinc/41/03/04/598410304.db2.gz SXNYSVXDCPVITL-UHFFFAOYSA-N -1 3 382.336 1.248 20 5 GDBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1[N+](=O)[O-] ZINC000737892086 598410305 /nfs/dbraw/zinc/41/03/05/598410305.db2.gz SXNYSVXDCPVITL-UHFFFAOYSA-N -1 3 382.336 1.248 20 5 GDBDHM Cc1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nn1 ZINC000737352796 598502371 /nfs/dbraw/zinc/50/23/71/598502371.db2.gz SALYNZWBCRPPJK-NSHDSACASA-N -1 3 382.388 1.349 20 5 GDBDHM Cc1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nn1 ZINC000737352796 598502373 /nfs/dbraw/zinc/50/23/73/598502373.db2.gz SALYNZWBCRPPJK-NSHDSACASA-N -1 3 382.388 1.349 20 5 GDBDHM Cc1ccc(N2CCC[C@H](N(C)c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nn1 ZINC000737350299 598502740 /nfs/dbraw/zinc/50/27/40/598502740.db2.gz FDBLTDMTHDOPKL-LBPRGKRZSA-N -1 3 396.415 1.374 20 5 GDBDHM Cc1ccc(N2CCC[C@H](N(C)c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nn1 ZINC000737350299 598502742 /nfs/dbraw/zinc/50/27/42/598502742.db2.gz FDBLTDMTHDOPKL-LBPRGKRZSA-N -1 3 396.415 1.374 20 5 GDBDHM Cc1csc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000737451411 598502757 /nfs/dbraw/zinc/50/27/57/598502757.db2.gz CNUXCAYDRZUCTD-SNVBAGLBSA-N -1 3 387.429 1.650 20 5 GDBDHM Cc1csc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000737451411 598502759 /nfs/dbraw/zinc/50/27/59/598502759.db2.gz CNUXCAYDRZUCTD-SNVBAGLBSA-N -1 3 387.429 1.650 20 5 GDBDHM Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737603207 598661542 /nfs/dbraw/zinc/66/15/42/598661542.db2.gz NSISGKVDMPNXCK-UHFFFAOYSA-N -1 3 391.351 1.823 20 5 GDBDHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737603207 598661544 /nfs/dbraw/zinc/66/15/44/598661544.db2.gz NSISGKVDMPNXCK-UHFFFAOYSA-N -1 3 391.351 1.823 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000738367313 598690510 /nfs/dbraw/zinc/69/05/10/598690510.db2.gz QNHUEMSKOLWZNM-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737052620 598693179 /nfs/dbraw/zinc/69/31/79/598693179.db2.gz ULGBBYCRFZRHKM-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM CCn1nc(C)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000821568460 599340576 /nfs/dbraw/zinc/34/05/76/599340576.db2.gz VMBNTQMXNWCKCB-UHFFFAOYSA-N -1 3 393.385 1.376 20 5 GDBDHM CCn1nc(C)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000821568460 599340578 /nfs/dbraw/zinc/34/05/78/599340578.db2.gz VMBNTQMXNWCKCB-UHFFFAOYSA-N -1 3 393.385 1.376 20 5 GDBDHM COC(=O)N1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821664625 599516363 /nfs/dbraw/zinc/51/63/63/599516363.db2.gz BSKVIYBBBMDTNT-SNVBAGLBSA-N -1 3 398.383 1.966 20 5 GDBDHM COC(=O)N1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821664625 599516364 /nfs/dbraw/zinc/51/63/64/599516364.db2.gz BSKVIYBBBMDTNT-SNVBAGLBSA-N -1 3 398.383 1.966 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCc4cncnc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823643865 599532714 /nfs/dbraw/zinc/53/27/14/599532714.db2.gz DFFUXMCIIKEJLZ-UHFFFAOYSA-N -1 3 375.352 1.676 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCc4cncnc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823643865 599532715 /nfs/dbraw/zinc/53/27/15/599532715.db2.gz DFFUXMCIIKEJLZ-UHFFFAOYSA-N -1 3 375.352 1.676 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822319221 599603493 /nfs/dbraw/zinc/60/34/93/599603493.db2.gz NXHPAWBVWYQWTM-UHFFFAOYSA-N -1 3 381.352 1.338 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822319221 599603495 /nfs/dbraw/zinc/60/34/95/599603495.db2.gz NXHPAWBVWYQWTM-UHFFFAOYSA-N -1 3 381.352 1.338 20 5 GDBDHM O=C([O-])CCN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000833236133 600721001 /nfs/dbraw/zinc/72/10/01/600721001.db2.gz NTJYJAJABSMMOH-UHFFFAOYSA-N -1 3 375.385 1.767 20 5 GDBDHM O=C([O-])C[C@H]1CSCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833221396 601018677 /nfs/dbraw/zinc/01/86/77/601018677.db2.gz KUEOLIVSNMRORG-LBPRGKRZSA-N -1 3 381.410 1.785 20 5 GDBDHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000274200942 601032193 /nfs/dbraw/zinc/03/21/93/601032193.db2.gz NDIBTOGRQWPVLT-AWEZNQCLSA-N -1 3 376.413 1.040 20 5 GDBDHM NC(=O)c1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000826392575 607521301 /nfs/dbraw/zinc/52/13/01/607521301.db2.gz DLMRNNHGPDFSOP-UHFFFAOYSA-N -1 3 381.312 1.022 20 5 GDBDHM NC(=O)c1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000826392575 607521303 /nfs/dbraw/zinc/52/13/03/607521303.db2.gz DLMRNNHGPDFSOP-UHFFFAOYSA-N -1 3 381.312 1.022 20 5 GDBDHM CC(=O)c1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824030162 607536993 /nfs/dbraw/zinc/53/69/93/607536993.db2.gz XHWOJEVSUJVGMU-UHFFFAOYSA-N -1 3 396.363 1.673 20 5 GDBDHM CC(=O)c1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824030162 607536995 /nfs/dbraw/zinc/53/69/95/607536995.db2.gz XHWOJEVSUJVGMU-UHFFFAOYSA-N -1 3 396.363 1.673 20 5 GDBDHM Cc1cccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826301835 607549411 /nfs/dbraw/zinc/54/94/11/607549411.db2.gz RBUDVOYOBYDREK-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1cccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826301835 607549412 /nfs/dbraw/zinc/54/94/12/607549412.db2.gz RBUDVOYOBYDREK-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890758 602317321 /nfs/dbraw/zinc/31/73/21/602317321.db2.gz BDPARQGMTCYCGF-UHFFFAOYSA-N -1 3 376.413 1.346 20 5 GDBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826200641 607608590 /nfs/dbraw/zinc/60/85/90/607608590.db2.gz ALZUUANFXRDYGI-UHFFFAOYSA-N -1 3 399.323 1.622 20 5 GDBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826200641 607608592 /nfs/dbraw/zinc/60/85/92/607608592.db2.gz ALZUUANFXRDYGI-UHFFFAOYSA-N -1 3 399.323 1.622 20 5 GDBDHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000824200012 607734604 /nfs/dbraw/zinc/73/46/04/607734604.db2.gz NZKSHXGNRIJRJE-NSHDSACASA-N -1 3 397.359 1.752 20 5 GDBDHM C[C@](CNC(=O)[O-])(NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000824952069 605164307 /nfs/dbraw/zinc/16/43/07/605164307.db2.gz IPHBVUPAHJZDGB-MRXNPFEDSA-N -1 3 380.357 1.288 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823657439 606693930 /nfs/dbraw/zinc/69/39/30/606693930.db2.gz OYJOBFZHCSLINW-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823657439 606693931 /nfs/dbraw/zinc/69/39/31/606693931.db2.gz OYJOBFZHCSLINW-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM Cc1nccn1-c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000822478860 606700212 /nfs/dbraw/zinc/70/02/12/606700212.db2.gz VCZGZDXVUVREAL-UHFFFAOYSA-N -1 3 378.356 1.671 20 5 GDBDHM Cc1nccn1-c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000822478860 606700214 /nfs/dbraw/zinc/70/02/14/606700214.db2.gz VCZGZDXVUVREAL-UHFFFAOYSA-N -1 3 378.356 1.671 20 5 GDBDHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000820803661 606775341 /nfs/dbraw/zinc/77/53/41/606775341.db2.gz DSMNFFKTTFCJMF-LBPRGKRZSA-N -1 3 381.400 1.276 20 5 GDBDHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000823219095 606777677 /nfs/dbraw/zinc/77/76/77/606777677.db2.gz GEWHGPHLFPRDOF-UHFFFAOYSA-N -1 3 385.409 1.833 20 5 GDBDHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC000823219095 606777679 /nfs/dbraw/zinc/77/76/79/606777679.db2.gz GEWHGPHLFPRDOF-UHFFFAOYSA-N -1 3 385.409 1.833 20 5 GDBDHM Cc1cc(=O)n(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1[N+](=O)[O-] ZINC000822161442 606785734 /nfs/dbraw/zinc/78/57/34/606785734.db2.gz PIMGRAZFITUTMK-UHFFFAOYSA-N -1 3 380.324 1.343 20 5 GDBDHM Cc1cc(=O)n(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1[N+](=O)[O-] ZINC000822161442 606785735 /nfs/dbraw/zinc/78/57/35/606785735.db2.gz PIMGRAZFITUTMK-UHFFFAOYSA-N -1 3 380.324 1.343 20 5 GDBDHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc([N+](=O)[O-])cn1 ZINC000823443515 606797429 /nfs/dbraw/zinc/79/74/29/606797429.db2.gz DYICAZCOQMTDIH-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc([N+](=O)[O-])cn1 ZINC000823443515 606797430 /nfs/dbraw/zinc/79/74/30/606797430.db2.gz DYICAZCOQMTDIH-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM NC(=O)[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000822850307 606901336 /nfs/dbraw/zinc/90/13/36/606901336.db2.gz DSWPUUKBQFUNNU-CYBMUJFWSA-N -1 3 386.299 1.297 20 5 GDBDHM NC(=O)[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000822850307 606901338 /nfs/dbraw/zinc/90/13/38/606901338.db2.gz DSWPUUKBQFUNNU-CYBMUJFWSA-N -1 3 386.299 1.297 20 5 GDBDHM Cc1cc(F)cc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC000822203190 606924917 /nfs/dbraw/zinc/92/49/17/606924917.db2.gz IMPHQPKDFPKNNH-UHFFFAOYSA-N -1 3 386.347 1.459 20 5 GDBDHM Cc1cc(F)cc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC000822203190 606924918 /nfs/dbraw/zinc/92/49/18/606924918.db2.gz IMPHQPKDFPKNNH-UHFFFAOYSA-N -1 3 386.347 1.459 20 5 GDBDHM Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000822605038 607037362 /nfs/dbraw/zinc/03/73/62/607037362.db2.gz VYKNAWTVSAIULA-UHFFFAOYSA-N -1 3 382.369 1.512 20 5 GDBDHM Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000822605038 607037364 /nfs/dbraw/zinc/03/73/64/607037364.db2.gz VYKNAWTVSAIULA-UHFFFAOYSA-N -1 3 382.369 1.512 20 5 GDBDHM CC(=O)COc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823967124 607862811 /nfs/dbraw/zinc/86/28/11/607862811.db2.gz IVYBFVRITYVHSX-UHFFFAOYSA-N -1 3 389.109 1.347 20 5 GDBDHM CC(=O)COc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823967124 607862812 /nfs/dbraw/zinc/86/28/12/607862812.db2.gz IVYBFVRITYVHSX-UHFFFAOYSA-N -1 3 389.109 1.347 20 5 GDBDHM CC(=O)c1ccc(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC000824029608 607876162 /nfs/dbraw/zinc/87/61/62/607876162.db2.gz OIRBVUJNYUDAJH-ZDUSSCGKSA-N -1 3 399.363 1.796 20 5 GDBDHM CC(=O)c1ccc(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC000824029608 607876163 /nfs/dbraw/zinc/87/61/63/607876163.db2.gz OIRBVUJNYUDAJH-ZDUSSCGKSA-N -1 3 399.363 1.796 20 5 GDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826499456 607938625 /nfs/dbraw/zinc/93/86/25/607938625.db2.gz JHDOONRVMSUREL-UHFFFAOYSA-N -1 3 386.393 1.667 20 5 GDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826499456 607938626 /nfs/dbraw/zinc/93/86/26/607938626.db2.gz JHDOONRVMSUREL-UHFFFAOYSA-N -1 3 386.393 1.667 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826425464 607945893 /nfs/dbraw/zinc/94/58/93/607945893.db2.gz FJRUQCMFDZWAMG-UHFFFAOYSA-N -1 3 390.363 1.714 20 5 GDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826425464 607945894 /nfs/dbraw/zinc/94/58/94/607945894.db2.gz FJRUQCMFDZWAMG-UHFFFAOYSA-N -1 3 390.363 1.714 20 5 GDBDHM O=C1C[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000826479119 607969239 /nfs/dbraw/zinc/96/92/39/607969239.db2.gz QVEMPKRAUYNONL-ZDUSSCGKSA-N -1 3 394.395 1.631 20 5 GDBDHM O=C1C[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000826479119 607969240 /nfs/dbraw/zinc/96/92/40/607969240.db2.gz QVEMPKRAUYNONL-ZDUSSCGKSA-N -1 3 394.395 1.631 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCCC4(C3)OCCO4)cc(-c3nnn[n-]3)c2c1 ZINC000826499571 608016469 /nfs/dbraw/zinc/01/64/69/608016469.db2.gz NOUQZSMODYZOOA-UHFFFAOYSA-N -1 3 383.368 1.666 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCCC4(C3)OCCO4)cc(-c3nn[n-]n3)c2c1 ZINC000826499571 608016470 /nfs/dbraw/zinc/01/64/70/608016470.db2.gz NOUQZSMODYZOOA-UHFFFAOYSA-N -1 3 383.368 1.666 20 5 GDBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825934284 608037086 /nfs/dbraw/zinc/03/70/86/608037086.db2.gz LWANUBURGURYNJ-UHFFFAOYSA-N -1 3 391.823 1.798 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000826173986 608261311 /nfs/dbraw/zinc/26/13/11/608261311.db2.gz DHFNZPHHOYHWFK-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000826173986 608261313 /nfs/dbraw/zinc/26/13/13/608261313.db2.gz DHFNZPHHOYHWFK-UHFFFAOYSA-N -1 3 379.336 1.542 20 5 GDBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000824255641 608340088 /nfs/dbraw/zinc/34/00/88/608340088.db2.gz RHORDYHPTXLSLW-UHFFFAOYSA-N -1 3 384.400 1.807 20 5 GDBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000824255641 608340090 /nfs/dbraw/zinc/34/00/90/608340090.db2.gz RHORDYHPTXLSLW-UHFFFAOYSA-N -1 3 384.400 1.807 20 5 GDBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826498243 608342199 /nfs/dbraw/zinc/34/21/99/608342199.db2.gz MPYXBEYSNLJTHI-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826498243 608342200 /nfs/dbraw/zinc/34/22/00/608342200.db2.gz MPYXBEYSNLJTHI-UHFFFAOYSA-N -1 3 397.319 1.962 20 5 GDBDHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826396848 609258817 /nfs/dbraw/zinc/25/88/17/609258817.db2.gz MKSHQZGHEIURMY-KRWDZBQOSA-N -1 3 394.391 2.000 20 5 GDBDHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826396848 609258819 /nfs/dbraw/zinc/25/88/19/609258819.db2.gz MKSHQZGHEIURMY-KRWDZBQOSA-N -1 3 394.391 2.000 20 5 GDBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826468466 609369208 /nfs/dbraw/zinc/36/92/08/609369208.db2.gz RNJWGQVJHSBOGY-HNNXBMFYSA-N -1 3 380.320 1.874 20 5 GDBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826468466 609369210 /nfs/dbraw/zinc/36/92/10/609369210.db2.gz RNJWGQVJHSBOGY-HNNXBMFYSA-N -1 3 380.320 1.874 20 5 GDBDHM Cc1nn([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)c1[N+](=O)[O-] ZINC000826333988 609427620 /nfs/dbraw/zinc/42/76/20/609427620.db2.gz CCJZQBQJOIURLJ-CQSZACIVSA-N -1 3 382.384 1.956 20 5 GDBDHM Cc1nn([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)c1[N+](=O)[O-] ZINC000826333988 609427623 /nfs/dbraw/zinc/42/76/23/609427623.db2.gz CCJZQBQJOIURLJ-CQSZACIVSA-N -1 3 382.384 1.956 20 5 GDBDHM Cc1nn(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1[N+](=O)[O-] ZINC000826334863 609533153 /nfs/dbraw/zinc/53/31/53/609533153.db2.gz MPDDNTPGAYUYIV-UHFFFAOYSA-N -1 3 387.379 1.199 20 5 GDBDHM Cc1nn(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000826334863 609533155 /nfs/dbraw/zinc/53/31/55/609533155.db2.gz MPDDNTPGAYUYIV-UHFFFAOYSA-N -1 3 387.379 1.199 20 5 GDBDHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1[N+](=O)[O-] ZINC000539363505 650333097 /nfs/dbraw/zinc/33/30/97/650333097.db2.gz YPPHFLOFBTVZLC-QMMMGPOBSA-N -1 3 397.185 1.497 20 5 GDBDHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1cc([N+](=O)[O-])ccc1OC ZINC000541312750 650381790 /nfs/dbraw/zinc/38/17/90/650381790.db2.gz DLKMRGIURCPYFH-UHFFFAOYSA-N -1 3 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MAXIRDOLWRZMBR-GFCCVEGCSA-N -1 3 381.332 1.561 20 5 GDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1(CF)CCOCC1)OCCO2 ZINC000451735053 531674425 /nfs/dbraw/zinc/67/44/25/531674425.db2.gz JIXHFUZUEMOZNR-UHFFFAOYSA-N -1 3 376.362 1.163 20 5 GDBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1=O ZINC000269470143 531675326 /nfs/dbraw/zinc/67/53/26/531675326.db2.gz KZABUDKWTIRTEX-MRVPVSSYSA-N -1 3 392.231 1.256 20 5 GDBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416574316 531684671 /nfs/dbraw/zinc/68/46/71/531684671.db2.gz XNSKZGIOMDUFRA-WDEREUQCSA-N -1 3 381.204 1.049 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(C)(C)S(C)(=O)=O)c1C ZINC000416583806 531688859 /nfs/dbraw/zinc/68/88/59/531688859.db2.gz AGADMTPAYWSYGM-UHFFFAOYSA-N -1 3 378.472 1.703 20 5 GDBDHM Cc1cc(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000590588885 531693020 /nfs/dbraw/zinc/69/30/20/531693020.db2.gz AECMWSLBAFLAKE-LBPRGKRZSA-N -1 3 376.406 1.906 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000451966279 531731248 /nfs/dbraw/zinc/73/12/48/531731248.db2.gz LZYVPCTVOUBJFM-GWCFXTLKSA-N -1 3 386.455 1.897 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000416637324 531719053 /nfs/dbraw/zinc/71/90/53/531719053.db2.gz XXGQNAIVIUIWQK-UHFFFAOYSA-N -1 3 382.485 1.458 20 5 GDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)c1 ZINC000269757936 531741803 /nfs/dbraw/zinc/74/18/03/531741803.db2.gz BLMRKOOAUVWNAF-LLVKDONJSA-N -1 3 397.272 1.504 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)c(Br)c1 ZINC000269762059 531743557 /nfs/dbraw/zinc/74/35/57/531743557.db2.gz CIXZWDMLZSAERA-DTWKUNHWSA-N -1 3 377.216 1.573 20 5 GDBDHM C[C@H]1SCC[C@@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591964716 531745624 /nfs/dbraw/zinc/74/56/24/531745624.db2.gz UGZJUVNYLXIAIG-MNOVXSKESA-N -1 3 388.471 1.066 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(C(F)(F)F)c1 ZINC000269822711 531773352 /nfs/dbraw/zinc/77/33/52/531773352.db2.gz SQNVMQJFHRNGOG-UHFFFAOYSA-N -1 3 384.332 1.433 20 5 GDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000270466530 531873955 /nfs/dbraw/zinc/87/39/55/531873955.db2.gz FMPXESVWTYECPD-SECBINFHSA-N -1 3 381.204 1.587 20 5 GDBDHM COC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000272631173 532108205 /nfs/dbraw/zinc/10/82/05/532108205.db2.gz ATZUUJXLLDCGPU-VIFPVBQESA-N -1 3 383.220 1.297 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCC1 ZINC000285777697 532112292 /nfs/dbraw/zinc/11/22/92/532112292.db2.gz YMKAACIWHUHBPO-UHFFFAOYSA-N -1 3 376.456 1.539 20 5 GDBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000427810222 532190755 /nfs/dbraw/zinc/19/07/55/532190755.db2.gz DKSFHYIFCKDCAY-UHFFFAOYSA-N -1 3 379.423 1.893 20 5 GDBDHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OCCO ZINC000288295895 532279809 /nfs/dbraw/zinc/27/98/09/532279809.db2.gz GIMWBAAQSWKPED-UHFFFAOYSA-N -1 3 397.247 1.423 20 5 GDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000431708558 532272656 /nfs/dbraw/zinc/27/26/56/532272656.db2.gz KZGOFOFHACUIKS-SMDDNHRTSA-N -1 3 386.455 1.897 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275593016 532301264 /nfs/dbraw/zinc/30/12/64/532301264.db2.gz DRTQAQIIQKPRSX-ZETCQYMHSA-N -1 3 390.219 1.525 20 5 GDBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000736038788 599027661 /nfs/dbraw/zinc/02/76/61/599027661.db2.gz XVLAWKLRNDERKU-LLVKDONJSA-N -1 3 387.356 1.372 20 5 GDBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000736038788 599027663 /nfs/dbraw/zinc/02/76/63/599027663.db2.gz XVLAWKLRNDERKU-LLVKDONJSA-N -1 3 387.356 1.372 20 5 GDBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820667468 599097212 /nfs/dbraw/zinc/09/72/12/599097212.db2.gz MMWOGHLLEGWZSA-LKFCYVNXSA-N -1 3 383.372 1.114 20 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CCOc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000736655450 598389371 /nfs/dbraw/zinc/38/93/71/598389371.db2.gz SPAVDODEBQYMJR-UHFFFAOYSA-N -1 3 397.399 1.290 20 5 GDBDHM CCOc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000736655450 598389373 /nfs/dbraw/zinc/38/93/73/598389373.db2.gz SPAVDODEBQYMJR-UHFFFAOYSA-N -1 3 397.399 1.290 20 5 GDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000736821325 598442875 /nfs/dbraw/zinc/44/28/75/598442875.db2.gz CYYGORSPFTULLS-UHFFFAOYSA-N -1 3 396.363 1.818 20 5 GDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000736821325 598442877 /nfs/dbraw/zinc/44/28/77/598442877.db2.gz CYYGORSPFTULLS-UHFFFAOYSA-N -1 3 396.363 1.818 20 5 GDBDHM CC(C)(C)OC(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735635494 598498450 /nfs/dbraw/zinc/49/84/50/598498450.db2.gz DVCCBJQXWVIZQG-UHFFFAOYSA-N -1 3 390.404 1.663 20 5 GDBDHM CC(C)(C)OC(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735635494 598498452 /nfs/dbraw/zinc/49/84/52/598498452.db2.gz DVCCBJQXWVIZQG-UHFFFAOYSA-N -1 3 390.404 1.663 20 5 GDBDHM Cc1ccc(N(C)C2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)nn1 ZINC000737345980 598502634 /nfs/dbraw/zinc/50/26/34/598502634.db2.gz ATYZMTRAHGJLBP-UHFFFAOYSA-N -1 3 396.415 1.374 20 5 GDBDHM Cc1ccc(N(C)C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)nn1 ZINC000737345980 598502635 /nfs/dbraw/zinc/50/26/35/598502635.db2.gz ATYZMTRAHGJLBP-UHFFFAOYSA-N -1 3 396.415 1.374 20 5 GDBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000512145690 598534082 /nfs/dbraw/zinc/53/40/82/598534082.db2.gz FARVNRJPDOAFSN-UHFFFAOYSA-N -1 3 395.335 1.139 20 5 GDBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000512145690 598534084 /nfs/dbraw/zinc/53/40/84/598534084.db2.gz FARVNRJPDOAFSN-UHFFFAOYSA-N -1 3 395.335 1.139 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737052735 598550149 /nfs/dbraw/zinc/55/01/49/598550149.db2.gz WDYQCBSLXHFXQR-UHFFFAOYSA-N -1 3 388.315 1.940 20 5 GDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737052735 598550152 /nfs/dbraw/zinc/55/01/52/598550152.db2.gz WDYQCBSLXHFXQR-UHFFFAOYSA-N -1 3 388.315 1.940 20 5 GDBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000738168291 598589560 /nfs/dbraw/zinc/58/95/60/598589560.db2.gz YHMJYGNDYXXDIB-UHFFFAOYSA-N -1 3 395.314 1.747 20 5 GDBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000738168291 598589562 /nfs/dbraw/zinc/58/95/62/598589562.db2.gz YHMJYGNDYXXDIB-UHFFFAOYSA-N -1 3 395.314 1.747 20 5 GDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738085729 598599346 /nfs/dbraw/zinc/59/93/46/598599346.db2.gz MVRAKQPOHKJBKF-UHFFFAOYSA-N -1 3 383.368 1.653 20 5 GDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738085729 598599347 /nfs/dbraw/zinc/59/93/47/598599347.db2.gz MVRAKQPOHKJBKF-UHFFFAOYSA-N -1 3 383.368 1.653 20 5 GDBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737892464 598606805 /nfs/dbraw/zinc/60/68/05/598606805.db2.gz UUPKZWCRRPRVJA-UHFFFAOYSA-N -1 3 385.315 1.283 20 5 GDBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737892464 598606807 /nfs/dbraw/zinc/60/68/07/598606807.db2.gz UUPKZWCRRPRVJA-UHFFFAOYSA-N -1 3 385.315 1.283 20 5 GDBDHM Cc1ccnc(NC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737437998 598671952 /nfs/dbraw/zinc/67/19/52/598671952.db2.gz XBHUQSAHDSUAMI-GFCCVEGCSA-N -1 3 381.400 1.812 20 5 GDBDHM CCOc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000736655545 598674051 /nfs/dbraw/zinc/67/40/51/598674051.db2.gz TZHKDDHJJJUGLC-UHFFFAOYSA-N -1 3 397.399 1.290 20 5 GDBDHM CCOc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000736655545 598674053 /nfs/dbraw/zinc/67/40/53/598674053.db2.gz TZHKDDHJJJUGLC-UHFFFAOYSA-N -1 3 397.399 1.290 20 5 GDBDHM O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000738358175 598692692 /nfs/dbraw/zinc/69/26/92/598692692.db2.gz ACYMLKOKGZDEQL-UHFFFAOYSA-N -1 3 378.345 1.393 20 5 GDBDHM O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000738316917 598693608 /nfs/dbraw/zinc/69/36/08/598693608.db2.gz HHDXNGNCCIKJBG-UHFFFAOYSA-N -1 3 393.312 1.494 20 5 GDBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738224449 598737839 /nfs/dbraw/zinc/73/78/39/598737839.db2.gz QWEZKSWNLFSQIV-UHFFFAOYSA-N -1 3 394.351 1.920 20 5 GDBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738224449 598737841 /nfs/dbraw/zinc/73/78/41/598737841.db2.gz QWEZKSWNLFSQIV-UHFFFAOYSA-N -1 3 394.351 1.920 20 5 GDBDHM CN(C[C@@H](O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736789292 598772906 /nfs/dbraw/zinc/77/29/06/598772906.db2.gz WEYCFTWTPNGPOB-OAHLLOKOSA-N -1 3 384.396 1.789 20 5 GDBDHM CN(C[C@@H](O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736789292 598772908 /nfs/dbraw/zinc/77/29/08/598772908.db2.gz WEYCFTWTPNGPOB-OAHLLOKOSA-N -1 3 384.396 1.789 20 5 GDBDHM CCN1C[C@@H](CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)Oc2ccccc21 ZINC000821240171 599315926 /nfs/dbraw/zinc/31/59/26/599315926.db2.gz FNYCPGQLXKUKJJ-CYBMUJFWSA-N -1 3 396.411 1.894 20 5 GDBDHM CCN1C[C@@H](CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)Oc2ccccc21 ZINC000821240171 599315929 /nfs/dbraw/zinc/31/59/29/599315929.db2.gz FNYCPGQLXKUKJJ-CYBMUJFWSA-N -1 3 396.411 1.894 20 5 GDBDHM NC(=O)CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864892 599520084 /nfs/dbraw/zinc/52/00/84/599520084.db2.gz OIHVLDQVSSSYNL-LLVKDONJSA-N -1 3 396.411 1.805 20 5 GDBDHM NC(=O)CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864892 599520087 /nfs/dbraw/zinc/52/00/87/599520087.db2.gz OIHVLDQVSSSYNL-LLVKDONJSA-N -1 3 396.411 1.805 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823308804 599553695 /nfs/dbraw/zinc/55/36/95/599553695.db2.gz JXPVUZCNDYPOJB-CYBMUJFWSA-N -1 3 395.383 1.888 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823308804 599553699 /nfs/dbraw/zinc/55/36/99/599553699.db2.gz JXPVUZCNDYPOJB-CYBMUJFWSA-N -1 3 395.383 1.888 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737300465 599596067 /nfs/dbraw/zinc/59/60/67/599596067.db2.gz YPDRKZALBKYJGU-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737300465 599596069 /nfs/dbraw/zinc/59/60/69/599596069.db2.gz YPDRKZALBKYJGU-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824422175 607542202 /nfs/dbraw/zinc/54/22/02/607542202.db2.gz YEWNKABQCDGVOM-SECBINFHSA-N -1 3 378.393 1.743 20 5 GDBDHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824422175 607542204 /nfs/dbraw/zinc/54/22/04/607542204.db2.gz YEWNKABQCDGVOM-SECBINFHSA-N -1 3 378.393 1.743 20 5 GDBDHM COc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1-c1nnn[n-]1 ZINC000826202477 607567289 /nfs/dbraw/zinc/56/72/89/607567289.db2.gz BAAMORKZYXNBTM-UHFFFAOYSA-N -1 3 398.379 1.845 20 5 GDBDHM CNc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826091218 607579334 /nfs/dbraw/zinc/57/93/34/607579334.db2.gz ZHPUYZMEDYSVPN-UHFFFAOYSA-N -1 3 383.368 1.755 20 5 GDBDHM CNc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826091218 607579336 /nfs/dbraw/zinc/57/93/36/607579336.db2.gz ZHPUYZMEDYSVPN-UHFFFAOYSA-N -1 3 383.368 1.755 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826500049 607591605 /nfs/dbraw/zinc/59/16/05/607591605.db2.gz JKYULDSXHKFUCP-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM COc1ccc(COC(=O)COc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205628 607600879 /nfs/dbraw/zinc/60/08/79/607600879.db2.gz DKLZXTMOWGFHCJ-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM COc1ccc(COC(=O)COc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205628 607600881 /nfs/dbraw/zinc/60/08/81/607600881.db2.gz DKLZXTMOWGFHCJ-UHFFFAOYSA-N -1 3 385.336 1.906 20 5 GDBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1-c1nnn[n-]1 ZINC000826205781 607613862 /nfs/dbraw/zinc/61/38/62/607613862.db2.gz MMYMPVOYDBOSRV-UHFFFAOYSA-N -1 3 388.315 1.862 20 5 GDBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1-c1nn[n-]n1 ZINC000826205781 607613863 /nfs/dbraw/zinc/61/38/63/607613863.db2.gz MMYMPVOYDBOSRV-UHFFFAOYSA-N -1 3 388.315 1.862 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826499228 607691679 /nfs/dbraw/zinc/69/16/79/607691679.db2.gz ADNHGVJTVUJEKW-UHFFFAOYSA-N -1 3 386.393 1.743 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826499228 607691680 /nfs/dbraw/zinc/69/16/80/607691680.db2.gz ADNHGVJTVUJEKW-UHFFFAOYSA-N -1 3 386.393 1.743 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822212708 606141544 /nfs/dbraw/zinc/14/15/44/606141544.db2.gz DFAMJDZAYJGZCX-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822212708 606141546 /nfs/dbraw/zinc/14/15/46/606141546.db2.gz DFAMJDZAYJGZCX-UHFFFAOYSA-N -1 3 396.363 1.808 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648973 606365123 /nfs/dbraw/zinc/36/51/23/606365123.db2.gz YLGKWYJDZZPYLF-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648973 606365125 /nfs/dbraw/zinc/36/51/25/606365125.db2.gz YLGKWYJDZZPYLF-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229491 606458940 /nfs/dbraw/zinc/45/89/40/606458940.db2.gz VTTXMFGBRYKEBL-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229491 606458942 /nfs/dbraw/zinc/45/89/42/606458942.db2.gz VTTXMFGBRYKEBL-NSHDSACASA-N -1 3 395.379 1.899 20 5 GDBDHM CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821936481 606481007 /nfs/dbraw/zinc/48/10/07/606481007.db2.gz AXFFPCQHUZPFDA-NSHDSACASA-N -1 3 395.445 1.073 20 5 GDBDHM CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821936481 606481008 /nfs/dbraw/zinc/48/10/08/606481008.db2.gz AXFFPCQHUZPFDA-NSHDSACASA-N -1 3 395.445 1.073 20 5 GDBDHM O=C(c1ccc(O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000823487786 606644198 /nfs/dbraw/zinc/64/41/98/606644198.db2.gz HUUKLHBVOLEBED-UHFFFAOYSA-N -1 3 395.379 1.443 20 5 GDBDHM O=C(c1ccc(O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000823487786 606644199 /nfs/dbraw/zinc/64/41/99/606644199.db2.gz HUUKLHBVOLEBED-UHFFFAOYSA-N -1 3 395.379 1.443 20 5 GDBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000821601588 606701049 /nfs/dbraw/zinc/70/10/49/606701049.db2.gz PLEUABKIEOJBSY-UHFFFAOYSA-N -1 3 397.403 1.021 20 5 GDBDHM O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823018538 606754410 /nfs/dbraw/zinc/75/44/10/606754410.db2.gz QYCIWJLWHZKXQD-UHFFFAOYSA-N -1 3 396.363 1.889 20 5 GDBDHM O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823018538 606754411 /nfs/dbraw/zinc/75/44/11/606754411.db2.gz QYCIWJLWHZKXQD-UHFFFAOYSA-N -1 3 396.363 1.889 20 5 GDBDHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000820788773 606785041 /nfs/dbraw/zinc/78/50/41/606785041.db2.gz NTKLGNFXHCNGJY-CYBMUJFWSA-N -1 3 395.427 1.318 20 5 GDBDHM Nn1c(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000822912175 607028216 /nfs/dbraw/zinc/02/82/16/607028216.db2.gz PPJYDDUQXNHVKI-UHFFFAOYSA-N -1 3 388.398 1.355 20 5 GDBDHM COc1cccc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000821864087 607040259 /nfs/dbraw/zinc/04/02/59/607040259.db2.gz STPSSLRGQSYHBN-HNNXBMFYSA-N -1 3 383.368 1.756 20 5 GDBDHM COc1cccc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000821864087 607040261 /nfs/dbraw/zinc/04/02/61/607040261.db2.gz STPSSLRGQSYHBN-HNNXBMFYSA-N -1 3 383.368 1.756 20 5 GDBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822267241 607142935 /nfs/dbraw/zinc/14/29/35/607142935.db2.gz PNORAQDIQURDLP-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822267241 607142937 /nfs/dbraw/zinc/14/29/37/607142937.db2.gz PNORAQDIQURDLP-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000822212719 607143066 /nfs/dbraw/zinc/14/30/66/607143066.db2.gz DXEMJOKPTZJYBR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000822212719 607143067 /nfs/dbraw/zinc/14/30/67/607143067.db2.gz DXEMJOKPTZJYBR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000823619830 607167676 /nfs/dbraw/zinc/16/76/76/607167676.db2.gz BTYBEVXNICMKPO-AWEZNQCLSA-N -1 3 396.411 1.001 20 5 GDBDHM Cc1c(Br)cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC000826233927 607809361 /nfs/dbraw/zinc/80/93/61/607809361.db2.gz ACMFSBYAUJMLKQ-UHFFFAOYSA-N -1 3 393.161 1.313 20 5 GDBDHM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825833305 607934127 /nfs/dbraw/zinc/93/41/27/607934127.db2.gz FRBZOVWDGZKXSQ-MRXNPFEDSA-N -1 3 381.396 1.886 20 5 GDBDHM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825833305 607934128 /nfs/dbraw/zinc/93/41/28/607934128.db2.gz FRBZOVWDGZKXSQ-MRXNPFEDSA-N -1 3 381.396 1.886 20 5 GDBDHM NS(=O)(=O)c1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])c1 ZINC000826395037 607936145 /nfs/dbraw/zinc/93/61/45/607936145.db2.gz KNUHOFPJSLGHPC-UHFFFAOYSA-N -1 3 387.381 1.117 20 5 GDBDHM NS(=O)(=O)c1ccc(N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])c1 ZINC000826395037 607936146 /nfs/dbraw/zinc/93/61/46/607936146.db2.gz KNUHOFPJSLGHPC-UHFFFAOYSA-N -1 3 387.381 1.117 20 5 GDBDHM Cc1oc(NC(=O)CN2CCc3c2cccc3[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341226 607957555 /nfs/dbraw/zinc/95/75/55/607957555.db2.gz ARNQEZSSHUYMOZ-UHFFFAOYSA-N -1 3 383.368 1.986 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826299106 607983941 /nfs/dbraw/zinc/98/39/41/607983941.db2.gz RAYQGYGLNYZPEF-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM Cc1cccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826299106 607983942 /nfs/dbraw/zinc/98/39/42/607983942.db2.gz RAYQGYGLNYZPEF-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826276907 607984071 /nfs/dbraw/zinc/98/40/71/607984071.db2.gz CGIIQNDSIKOVSY-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826276907 607984072 /nfs/dbraw/zinc/98/40/72/607984072.db2.gz CGIIQNDSIKOVSY-UHFFFAOYSA-N -1 3 395.379 1.381 20 5 GDBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826501746 608070492 /nfs/dbraw/zinc/07/04/92/608070492.db2.gz FVWNCQPUYGGOAG-MRXNPFEDSA-N -1 3 397.395 1.010 20 5 GDBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826501746 608070493 /nfs/dbraw/zinc/07/04/93/608070493.db2.gz FVWNCQPUYGGOAG-MRXNPFEDSA-N -1 3 397.395 1.010 20 5 GDBDHM Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826395601 608079390 /nfs/dbraw/zinc/07/93/90/608079390.db2.gz KPGYGIUSDGMKPV-MRXNPFEDSA-N -1 3 395.379 1.571 20 5 GDBDHM Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826395601 608079391 /nfs/dbraw/zinc/07/93/91/608079391.db2.gz KPGYGIUSDGMKPV-MRXNPFEDSA-N -1 3 395.379 1.571 20 5 GDBDHM CC(C)CC(=O)NCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824229150 608160275 /nfs/dbraw/zinc/16/02/75/608160275.db2.gz OMIIFEBVQKDTBP-UHFFFAOYSA-N -1 3 395.807 1.919 20 5 GDBDHM CC(C)CC(=O)NCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824229150 608160276 /nfs/dbraw/zinc/16/02/76/608160276.db2.gz OMIIFEBVQKDTBP-UHFFFAOYSA-N -1 3 395.807 1.919 20 5 GDBDHM O=C1CC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000826480093 608237320 /nfs/dbraw/zinc/23/73/20/608237320.db2.gz QXUZTEXJBQGPGG-LLVKDONJSA-N -1 3 380.368 1.134 20 5 GDBDHM O=C1CC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000826480093 608237321 /nfs/dbraw/zinc/23/73/21/608237321.db2.gz QXUZTEXJBQGPGG-LLVKDONJSA-N -1 3 380.368 1.134 20 5 GDBDHM COC(=O)C(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826098554 608238034 /nfs/dbraw/zinc/23/80/34/608238034.db2.gz IDIGUCQOKUELOT-JTQLQIEISA-N -1 3 375.389 1.586 20 5 GDBDHM COC(=O)C(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826098554 608238036 /nfs/dbraw/zinc/23/80/36/608238036.db2.gz IDIGUCQOKUELOT-JTQLQIEISA-N -1 3 375.389 1.586 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000826273105 608336546 /nfs/dbraw/zinc/33/65/46/608336546.db2.gz PVWTXALGNQRACG-UHFFFAOYSA-N -1 3 380.368 1.480 20 5 GDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000826273105 608336548 /nfs/dbraw/zinc/33/65/48/608336548.db2.gz PVWTXALGNQRACG-UHFFFAOYSA-N -1 3 380.368 1.480 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826500273 608340188 /nfs/dbraw/zinc/34/01/88/608340188.db2.gz RFRMOTNJSCMJLH-UHFFFAOYSA-N -1 3 393.356 1.865 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826500273 608340190 /nfs/dbraw/zinc/34/01/90/608340190.db2.gz RFRMOTNJSCMJLH-UHFFFAOYSA-N -1 3 393.356 1.865 20 5 GDBDHM O=[N+]([O-])c1cnc2ccc(N3CCN(c4ccccc4-c4nnn[n-]4)CC3)nn21 ZINC000826500594 608410842 /nfs/dbraw/zinc/41/08/42/608410842.db2.gz DLTLMQGTRKGLHE-UHFFFAOYSA-N -1 3 392.383 1.144 20 5 GDBDHM O=[N+]([O-])c1cnc2ccc(N3CCN(c4ccccc4-c4nn[n-]n4)CC3)nn21 ZINC000826500594 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RMRCKPNXVXSHSR-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900262 598893836 /nfs/dbraw/zinc/89/38/36/598893836.db2.gz RMRCKPNXVXSHSR-AWEZNQCLSA-N -1 3 383.320 1.846 20 5 GDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000738374683 599124741 /nfs/dbraw/zinc/12/47/41/599124741.db2.gz SDHQEPGATVPNNG-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000738374683 599124743 /nfs/dbraw/zinc/12/47/43/599124743.db2.gz SDHQEPGATVPNNG-UHFFFAOYSA-N -1 3 382.745 1.591 20 5 GDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821611967 599140389 /nfs/dbraw/zinc/14/03/89/599140389.db2.gz CNEXGRLKZYEQPY-UHFFFAOYSA-N -1 3 381.396 1.870 20 5 GDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821611967 599140391 /nfs/dbraw/zinc/14/03/91/599140391.db2.gz CNEXGRLKZYEQPY-UHFFFAOYSA-N -1 3 381.396 1.870 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738090406 599215427 /nfs/dbraw/zinc/21/54/27/599215427.db2.gz SMJFQBIAAUGQHZ-UHFFFAOYSA-N -1 3 399.323 1.492 20 5 GDBDHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000769756848 597084626 /nfs/dbraw/zinc/08/46/26/597084626.db2.gz XYJHFDSUBOTLRO-HNNXBMFYSA-N -1 3 390.440 1.430 20 5 GDBDHM Nc1c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000737773173 599245366 /nfs/dbraw/zinc/24/53/66/599245366.db2.gz JJQIAIVOJUUEFC-UHFFFAOYSA-N -1 3 387.331 1.305 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000738090495 599246281 /nfs/dbraw/zinc/24/62/81/599246281.db2.gz WVUNGDKJMOSSJK-UHFFFAOYSA-N -1 3 394.351 1.460 20 5 GDBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000822904037 607324236 /nfs/dbraw/zinc/32/42/36/607324236.db2.gz RYHZBBAZYQPVLA-UHFFFAOYSA-N -1 3 379.134 1.005 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738271433 598239139 /nfs/dbraw/zinc/23/91/39/598239139.db2.gz VPNLCJFTMDHXKJ-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738271433 598239141 /nfs/dbraw/zinc/23/91/41/598239141.db2.gz VPNLCJFTMDHXKJ-UHFFFAOYSA-N -1 3 383.368 1.787 20 5 GDBDHM COc1cccc(N2C[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2=O)c1 ZINC000737139596 598248185 /nfs/dbraw/zinc/24/81/85/598248185.db2.gz MJXPCXXPGSCARN-SNVBAGLBSA-N -1 3 396.367 1.396 20 5 GDBDHM COc1cccc(N2C[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2=O)c1 ZINC000737139596 598248186 /nfs/dbraw/zinc/24/81/86/598248186.db2.gz MJXPCXXPGSCARN-SNVBAGLBSA-N -1 3 396.367 1.396 20 5 GDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738102079 598306877 /nfs/dbraw/zinc/30/68/77/598306877.db2.gz MNYGMKONALLOOA-UHFFFAOYSA-N -1 3 387.287 1.752 20 5 GDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738102079 598306878 /nfs/dbraw/zinc/30/68/78/598306878.db2.gz MNYGMKONALLOOA-UHFFFAOYSA-N -1 3 387.287 1.752 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nn1 ZINC000737350860 598335337 /nfs/dbraw/zinc/33/53/37/598335337.db2.gz IWBBWRRQZOSZJV-GFCCVEGCSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nn1 ZINC000737350860 598335338 /nfs/dbraw/zinc/33/53/38/598335338.db2.gz IWBBWRRQZOSZJV-GFCCVEGCSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1noc([C@@H](C)N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000737535145 598336987 /nfs/dbraw/zinc/33/69/87/598336987.db2.gz UIHWJELZESAWHE-SNVBAGLBSA-N -1 3 385.388 1.350 20 5 GDBDHM Cc1noc([C@@H](C)N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000737535145 598336989 /nfs/dbraw/zinc/33/69/89/598336989.db2.gz UIHWJELZESAWHE-SNVBAGLBSA-N -1 3 385.388 1.350 20 5 GDBDHM CN(CCc1ccccn1)C(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736806316 598458995 /nfs/dbraw/zinc/45/89/95/598458995.db2.gz OWRJZSAAAIRMCH-UHFFFAOYSA-N -1 3 382.384 1.283 20 5 GDBDHM CN(CCc1ccccn1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736806316 598458996 /nfs/dbraw/zinc/45/89/96/598458996.db2.gz OWRJZSAAAIRMCH-UHFFFAOYSA-N -1 3 382.384 1.283 20 5 GDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738138750 598474905 /nfs/dbraw/zinc/47/49/05/598474905.db2.gz IVGTTXDOQAIEBO-UHFFFAOYSA-N -1 3 377.324 1.812 20 5 GDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738138750 598474906 /nfs/dbraw/zinc/47/49/06/598474906.db2.gz IVGTTXDOQAIEBO-UHFFFAOYSA-N -1 3 377.324 1.812 20 5 GDBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738233759 598475615 /nfs/dbraw/zinc/47/56/15/598475615.db2.gz GSXCKKQRLXKTST-UHFFFAOYSA-N -1 3 383.320 1.903 20 5 GDBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738233759 598475616 /nfs/dbraw/zinc/47/56/16/598475616.db2.gz GSXCKKQRLXKTST-UHFFFAOYSA-N -1 3 383.320 1.903 20 5 GDBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736158769 598480589 /nfs/dbraw/zinc/48/05/89/598480589.db2.gz IXEKWZIIRUBPJU-SECBINFHSA-N -1 3 383.324 1.354 20 5 GDBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736158769 598480591 /nfs/dbraw/zinc/48/05/91/598480591.db2.gz IXEKWZIIRUBPJU-SECBINFHSA-N -1 3 383.324 1.354 20 5 GDBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738245223 598482031 /nfs/dbraw/zinc/48/20/31/598482031.db2.gz PJYKIKWBVACZPY-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738245223 598482032 /nfs/dbraw/zinc/48/20/32/598482032.db2.gz PJYKIKWBVACZPY-UHFFFAOYSA-N -1 3 394.307 1.577 20 5 GDBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000735661172 598488516 /nfs/dbraw/zinc/48/85/16/598488516.db2.gz RYYCZHKABGEIJH-UHFFFAOYSA-N -1 3 386.372 1.132 20 5 GDBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000735661172 598488518 /nfs/dbraw/zinc/48/85/18/598488518.db2.gz RYYCZHKABGEIJH-UHFFFAOYSA-N -1 3 386.372 1.132 20 5 GDBDHM COC(=O)CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736918937 598500825 /nfs/dbraw/zinc/50/08/25/598500825.db2.gz JWLSDYAZCXCGIR-UHFFFAOYSA-N -1 3 385.340 1.855 20 5 GDBDHM COC(=O)CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736918937 598500826 /nfs/dbraw/zinc/50/08/26/598500826.db2.gz JWLSDYAZCXCGIR-UHFFFAOYSA-N -1 3 385.340 1.855 20 5 GDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737864330 598545913 /nfs/dbraw/zinc/54/59/13/598545913.db2.gz VUEJMOYLIARSTM-UHFFFAOYSA-N -1 3 394.298 1.602 20 5 GDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737864330 598545914 /nfs/dbraw/zinc/54/59/14/598545914.db2.gz VUEJMOYLIARSTM-UHFFFAOYSA-N -1 3 394.298 1.602 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])c1 ZINC000737114444 598560111 /nfs/dbraw/zinc/56/01/11/598560111.db2.gz FYNTYIQWMYVEOA-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])c1 ZINC000737114444 598560112 /nfs/dbraw/zinc/56/01/12/598560112.db2.gz FYNTYIQWMYVEOA-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738116664 598568611 /nfs/dbraw/zinc/56/86/11/598568611.db2.gz KPMMSTZKKZGMFQ-UHFFFAOYSA-N -1 3 391.351 1.286 20 5 GDBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738116664 598568613 /nfs/dbraw/zinc/56/86/13/598568613.db2.gz KPMMSTZKKZGMFQ-UHFFFAOYSA-N -1 3 391.351 1.286 20 5 GDBDHM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738211865 598583699 /nfs/dbraw/zinc/58/36/99/598583699.db2.gz AAYZXZQMYMHJPK-HNNXBMFYSA-N -1 3 394.347 1.737 20 5 GDBDHM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738211865 598583701 /nfs/dbraw/zinc/58/37/01/598583701.db2.gz AAYZXZQMYMHJPK-HNNXBMFYSA-N -1 3 394.347 1.737 20 5 GDBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000736170346 598587551 /nfs/dbraw/zinc/58/75/51/598587551.db2.gz PMHMYBDXEONZKQ-GFCCVEGCSA-N -1 3 398.379 1.737 20 5 GDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000738361036 598596211 /nfs/dbraw/zinc/59/62/11/598596211.db2.gz SSYMWAOVBMDSMX-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000738361036 598596212 /nfs/dbraw/zinc/59/62/12/598596212.db2.gz SSYMWAOVBMDSMX-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738115793 598640763 /nfs/dbraw/zinc/64/07/63/598640763.db2.gz DOUPBWZACSIEHF-UHFFFAOYSA-N -1 3 385.315 1.169 20 5 GDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738115793 598640765 /nfs/dbraw/zinc/64/07/65/598640765.db2.gz DOUPBWZACSIEHF-UHFFFAOYSA-N -1 3 385.315 1.169 20 5 GDBDHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)n1cc([N+](=O)[O-])cn1 ZINC000735582153 598710434 /nfs/dbraw/zinc/71/04/34/598710434.db2.gz GZTBNMGOWJZYCF-UHFFFAOYSA-N -1 3 375.320 1.589 20 5 GDBDHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)n1cc([N+](=O)[O-])cn1 ZINC000735582153 598710436 /nfs/dbraw/zinc/71/04/36/598710436.db2.gz GZTBNMGOWJZYCF-UHFFFAOYSA-N -1 3 375.320 1.589 20 5 GDBDHM CN(C[C@@H](O)COCc1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736791742 598772912 /nfs/dbraw/zinc/77/29/12/598772912.db2.gz CXAMQTDTMDGGGU-CQSZACIVSA-N -1 3 385.384 1.184 20 5 GDBDHM CN(C[C@@H](O)COCc1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736791742 598772914 /nfs/dbraw/zinc/77/29/14/598772914.db2.gz CXAMQTDTMDGGGU-CQSZACIVSA-N -1 3 385.384 1.184 20 5 GDBDHM COC(=O)c1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000736949951 599346114 /nfs/dbraw/zinc/34/61/14/599346114.db2.gz IVIYKYJIPGQFDN-UHFFFAOYSA-N -1 3 398.335 1.579 20 5 GDBDHM COC(=O)c1cc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000736949951 599346117 /nfs/dbraw/zinc/34/61/17/599346117.db2.gz IVIYKYJIPGQFDN-UHFFFAOYSA-N -1 3 398.335 1.579 20 5 GDBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738267312 599347582 /nfs/dbraw/zinc/34/75/82/599347582.db2.gz ITQSDXQWGOURJG-ZDUSSCGKSA-N -1 3 380.368 1.497 20 5 GDBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738267312 599347584 /nfs/dbraw/zinc/34/75/84/599347584.db2.gz ITQSDXQWGOURJG-ZDUSSCGKSA-N -1 3 380.368 1.497 20 5 GDBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000737959788 599387386 /nfs/dbraw/zinc/38/73/86/599387386.db2.gz BFRCGLUCQPSWHG-AWEZNQCLSA-N -1 3 394.395 1.425 20 5 GDBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000737959788 599387389 /nfs/dbraw/zinc/38/73/89/599387389.db2.gz BFRCGLUCQPSWHG-AWEZNQCLSA-N -1 3 394.395 1.425 20 5 GDBDHM C[C@H]([C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000820452127 599528210 /nfs/dbraw/zinc/52/82/10/599528210.db2.gz ZYRRRYBTWLPFOC-NWDGAFQWSA-N -1 3 398.427 1.844 20 5 GDBDHM C[C@H]([C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000820452127 599528211 /nfs/dbraw/zinc/52/82/11/599528211.db2.gz ZYRRRYBTWLPFOC-NWDGAFQWSA-N -1 3 398.427 1.844 20 5 GDBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000823234877 599615329 /nfs/dbraw/zinc/61/53/29/599615329.db2.gz PRBRCBKPWJFAJN-UHFFFAOYSA-N -1 3 385.315 1.169 20 5 GDBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000823234877 599615331 /nfs/dbraw/zinc/61/53/31/599615331.db2.gz PRBRCBKPWJFAJN-UHFFFAOYSA-N -1 3 385.315 1.169 20 5 GDBDHM C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820502954 599666794 /nfs/dbraw/zinc/66/67/94/599666794.db2.gz WHXXEXDYRGZZFN-LLVKDONJSA-N -1 3 396.363 1.888 20 5 GDBDHM C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820502954 599666795 /nfs/dbraw/zinc/66/67/95/599666795.db2.gz WHXXEXDYRGZZFN-LLVKDONJSA-N -1 3 396.363 1.888 20 5 GDBDHM COC(=O)[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648664 599666876 /nfs/dbraw/zinc/66/68/76/599666876.db2.gz PDPSIYCDNIATDL-MRXNPFEDSA-N -1 3 397.347 1.775 20 5 GDBDHM COC(=O)[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648664 599666877 /nfs/dbraw/zinc/66/68/77/599666877.db2.gz PDPSIYCDNIATDL-MRXNPFEDSA-N -1 3 397.347 1.775 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822271162 599667371 /nfs/dbraw/zinc/66/73/71/599667371.db2.gz OXXIOYBBQHQEFR-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822271162 599667372 /nfs/dbraw/zinc/66/73/72/599667372.db2.gz OXXIOYBBQHQEFR-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM O=C([O-])[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000738525919 600439089 /nfs/dbraw/zinc/43/90/89/600439089.db2.gz PEBMHGZAMAIJHO-OAHLLOKOSA-N -1 3 379.394 1.289 20 5 GDBDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000828494682 600688850 /nfs/dbraw/zinc/68/88/50/600688850.db2.gz QYRIHLSMJCYVES-CXAGYDPISA-N -1 3 389.412 1.061 20 5 GDBDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000828494685 600688979 /nfs/dbraw/zinc/68/89/79/600688979.db2.gz QYRIHLSMJCYVES-SUMWQHHRSA-N -1 3 389.412 1.061 20 5 GDBDHM O=C([O-])c1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000833297831 600789237 /nfs/dbraw/zinc/78/92/37/600789237.db2.gz KHEXAWKHGWEBNG-FQEVSTJZSA-N -1 3 399.403 1.660 20 5 GDBDHM COc1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1-c1nnn[n-]1 ZINC000826205930 607596143 /nfs/dbraw/zinc/59/61/43/607596143.db2.gz URDSHCKMIBMXSL-UHFFFAOYSA-N -1 3 399.319 1.869 20 5 GDBDHM 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382.384 1.505 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000821846653 599470117 /nfs/dbraw/zinc/47/01/17/599470117.db2.gz WYZJAIHTHBCLDN-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM C[C@H](CN1CCOCC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262289 599476020 /nfs/dbraw/zinc/47/60/20/599476020.db2.gz VAAXLAUJZFMYTH-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@H](CN1CCOCC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262289 599476021 /nfs/dbraw/zinc/47/60/21/599476021.db2.gz VAAXLAUJZFMYTH-LLVKDONJSA-N -1 3 384.400 1.456 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCNc2nccc(C(F)(F)F)n2)c(-c2nnn[n-]2)c1 ZINC000738374979 599529446 /nfs/dbraw/zinc/52/94/46/599529446.db2.gz WJNDDOZLZBRIGI-UHFFFAOYSA-N -1 3 396.293 1.503 20 5 GDBDHM O=[N+]([O-])c1cnc(NCCNc2nccc(C(F)(F)F)n2)c(-c2nn[n-]n2)c1 ZINC000738374979 599529447 /nfs/dbraw/zinc/52/94/47/599529447.db2.gz WJNDDOZLZBRIGI-UHFFFAOYSA-N -1 3 396.293 1.503 20 5 GDBDHM 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DSWPUUKBQFUNNU-ZDUSSCGKSA-N -1 3 386.299 1.297 20 5 GDBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000822222683 607050892 /nfs/dbraw/zinc/05/08/92/607050892.db2.gz PSQZYQILVOYOPU-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000822222683 607050893 /nfs/dbraw/zinc/05/08/93/607050893.db2.gz PSQZYQILVOYOPU-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821845611 607142458 /nfs/dbraw/zinc/14/24/58/607142458.db2.gz INABGFPKWOWGIA-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821845611 607142460 /nfs/dbraw/zinc/14/24/60/607142460.db2.gz INABGFPKWOWGIA-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000823644152 607143564 /nfs/dbraw/zinc/14/35/64/607143564.db2.gz GIHCJYMTGBJUNA-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM 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LARPDLJLHBEDKU-UHFFFAOYSA-N -1 3 387.360 1.408 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823651445 607172047 /nfs/dbraw/zinc/17/20/47/607172047.db2.gz JTHZJQXADUDYSO-UHFFFAOYSA-N -1 3 393.820 1.611 20 5 GDBDHM O=[N+]([O-])c1cnn(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823651445 607172048 /nfs/dbraw/zinc/17/20/48/607172048.db2.gz JTHZJQXADUDYSO-UHFFFAOYSA-N -1 3 393.820 1.611 20 5 GDBDHM Cc1cnc(CN(C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)o1 ZINC000822388939 607174940 /nfs/dbraw/zinc/17/49/40/607174940.db2.gz HBBYIYVMTKDYQK-CYBMUJFWSA-N -1 3 384.400 1.782 20 5 GDBDHM Cc1cnc(CN(C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)o1 ZINC000822388939 607174941 /nfs/dbraw/zinc/17/49/41/607174941.db2.gz HBBYIYVMTKDYQK-CYBMUJFWSA-N -1 3 384.400 1.782 20 5 GDBDHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000821619375 607185123 /nfs/dbraw/zinc/18/51/23/607185123.db2.gz UJEGBWSEJXYMMX-UHFFFAOYSA-N -1 3 388.409 1.784 20 5 GDBDHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000821619375 607185124 /nfs/dbraw/zinc/18/51/24/607185124.db2.gz UJEGBWSEJXYMMX-UHFFFAOYSA-N -1 3 388.409 1.784 20 5 GDBDHM COc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1-c1nnn[n-]1 ZINC000826208482 607862981 /nfs/dbraw/zinc/86/29/81/607862981.db2.gz MRLWFXKUNQXBEM-UHFFFAOYSA-N -1 3 395.335 1.649 20 5 GDBDHM COc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1-c1nn[n-]n1 ZINC000826208482 607862982 /nfs/dbraw/zinc/86/29/82/607862982.db2.gz MRLWFXKUNQXBEM-UHFFFAOYSA-N -1 3 395.335 1.649 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826499292 607874354 /nfs/dbraw/zinc/87/43/54/607874354.db2.gz CVVDUJMPAXHEEA-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826499292 607874355 /nfs/dbraw/zinc/87/43/55/607874355.db2.gz CVVDUJMPAXHEEA-LLVKDONJSA-N -1 3 375.316 1.733 20 5 GDBDHM O=[N+]([O-])c1cc(F)cc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498263 607877623 /nfs/dbraw/zinc/87/76/23/607877623.db2.gz NPMMYEYJIIATGN-CYBMUJFWSA-N -1 3 375.316 1.733 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826293262 607934312 /nfs/dbraw/zinc/93/43/12/607934312.db2.gz IMXCYGIWZVAEEN-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826293262 607934313 /nfs/dbraw/zinc/93/43/13/607934313.db2.gz IMXCYGIWZVAEEN-UHFFFAOYSA-N -1 3 386.393 1.835 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826411672 607943477 /nfs/dbraw/zinc/94/34/77/607943477.db2.gz IPYAZWMWDSOOQZ-UHFFFAOYSA-N -1 3 379.380 1.772 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826411672 607943478 /nfs/dbraw/zinc/94/34/78/607943478.db2.gz IPYAZWMWDSOOQZ-UHFFFAOYSA-N -1 3 379.380 1.772 20 5 GDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000826499336 608002189 /nfs/dbraw/zinc/00/21/89/608002189.db2.gz 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COCc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826164474 608418173 /nfs/dbraw/zinc/41/81/73/608418173.db2.gz BSADMXZVMOYVCJ-UHFFFAOYSA-N -1 3 391.365 1.689 20 5 GDBDHM COCc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826164474 608418175 /nfs/dbraw/zinc/41/81/75/608418175.db2.gz BSADMXZVMOYVCJ-UHFFFAOYSA-N -1 3 391.365 1.689 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824641776 608426239 /nfs/dbraw/zinc/42/62/39/608426239.db2.gz YWQIYICZQVULFP-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM COc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826196039 609207923 /nfs/dbraw/zinc/20/79/23/609207923.db2.gz OOWVIIAPKPQCIB-HNNXBMFYSA-N -1 3 384.352 1.133 20 5 GDBDHM COc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826196039 609207924 /nfs/dbraw/zinc/20/79/24/609207924.db2.gz OOWVIIAPKPQCIB-HNNXBMFYSA-N -1 3 384.352 1.133 20 5 GDBDHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 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ZINC000467262652 532060376 /nfs/dbraw/zinc/06/03/76/532060376.db2.gz GMNDJEYEOLBQHK-UHFFFAOYSA-N -1 3 391.452 1.091 20 5 GDBDHM CC(C)[C@](C)([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000285304669 532063235 /nfs/dbraw/zinc/06/32/35/532063235.db2.gz LNGIZEOVFWEDEB-LBPRGKRZSA-N -1 3 394.247 1.536 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCC2)cc1C ZINC000285571392 532094480 /nfs/dbraw/zinc/09/44/80/532094480.db2.gz KIADNWOYYFANKG-UHFFFAOYSA-N -1 3 390.483 1.847 20 5 GDBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332569860 532195923 /nfs/dbraw/zinc/19/59/23/532195923.db2.gz CQSLNPAAKJVMSZ-NSHDSACASA-N -1 3 397.185 1.042 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898364 598896453 /nfs/dbraw/zinc/89/64/53/598896453.db2.gz JTIRAOQZSALUIR-ZDUSSCGKSA-N -1 3 386.324 1.185 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898364 598896455 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-1 3 391.365 1.860 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000737031414 599082772 /nfs/dbraw/zinc/08/27/72/599082772.db2.gz BSUOOSJVYGULBH-UHFFFAOYSA-N -1 3 391.365 1.860 20 5 GDBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000820667723 599098422 /nfs/dbraw/zinc/09/84/22/599098422.db2.gz NRSKMAJNWPDDSD-RNCFNFMXSA-N -1 3 383.372 1.114 20 5 GDBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000820667723 599098424 /nfs/dbraw/zinc/09/84/24/599098424.db2.gz NRSKMAJNWPDDSD-RNCFNFMXSA-N -1 3 383.372 1.114 20 5 GDBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000737001984 599185839 /nfs/dbraw/zinc/18/58/39/599185839.db2.gz IKIPFFLMPSBACC-UHFFFAOYSA-N -1 3 396.407 1.993 20 5 GDBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000737001984 599185842 /nfs/dbraw/zinc/18/58/42/599185842.db2.gz IKIPFFLMPSBACC-UHFFFAOYSA-N -1 3 396.407 1.993 20 5 GDBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000736171861 599230438 /nfs/dbraw/zinc/23/04/38/599230438.db2.gz ZBRLMIPKVHPOBT-GFCCVEGCSA-N -1 3 382.380 1.901 20 5 GDBDHM Cc1cccc(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000822324313 599231484 /nfs/dbraw/zinc/23/14/84/599231484.db2.gz ZREFHFXAEFGHTP-UHFFFAOYSA-N -1 3 382.384 1.862 20 5 GDBDHM Cc1cccc(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000822324313 599231486 /nfs/dbraw/zinc/23/14/86/599231486.db2.gz ZREFHFXAEFGHTP-UHFFFAOYSA-N -1 3 382.384 1.862 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cnc1Cl ZINC000737283974 599236257 /nfs/dbraw/zinc/23/62/57/599236257.db2.gz WFJRFCRCHDLFCH-UHFFFAOYSA-N -1 3 396.772 1.899 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnc1Cl ZINC000737283974 599236258 /nfs/dbraw/zinc/23/62/58/599236258.db2.gz WFJRFCRCHDLFCH-UHFFFAOYSA-N -1 3 396.772 1.899 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1CNCc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000737117695 598286036 /nfs/dbraw/zinc/28/60/36/598286036.db2.gz ZTGAWXHWOXDDPQ-UHFFFAOYSA-N -1 3 381.356 1.116 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1CNCc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000737117695 598286037 /nfs/dbraw/zinc/28/60/37/598286037.db2.gz ZTGAWXHWOXDDPQ-UHFFFAOYSA-N -1 3 381.356 1.116 20 5 GDBDHM Cc1noc([C@H](C)N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000737535144 598336657 /nfs/dbraw/zinc/33/66/57/598336657.db2.gz UIHWJELZESAWHE-JTQLQIEISA-N -1 3 385.388 1.350 20 5 GDBDHM Cc1noc([C@H](C)N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000737535144 598336658 /nfs/dbraw/zinc/33/66/58/598336658.db2.gz UIHWJELZESAWHE-JTQLQIEISA-N -1 3 385.388 1.350 20 5 GDBDHM Cc1nn(CCC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1[N+](=O)[O-] ZINC000737513368 598359283 /nfs/dbraw/zinc/35/92/83/598359283.db2.gz KWHVOQZAIWHQOC-UHFFFAOYSA-N -1 3 389.347 1.861 20 5 GDBDHM Cc1nn(CCC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1[N+](=O)[O-] ZINC000737513368 598359285 /nfs/dbraw/zinc/35/92/85/598359285.db2.gz KWHVOQZAIWHQOC-UHFFFAOYSA-N -1 3 389.347 1.861 20 5 GDBDHM Cc1occc1C(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737555815 598457390 /nfs/dbraw/zinc/45/73/90/598457390.db2.gz AAJJXGNQBQQXCY-UHFFFAOYSA-N -1 3 398.383 1.470 20 5 GDBDHM Cc1occc1C(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737555815 598457391 /nfs/dbraw/zinc/45/73/91/598457391.db2.gz AAJJXGNQBQQXCY-UHFFFAOYSA-N -1 3 398.383 1.470 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737283568 598478203 /nfs/dbraw/zinc/47/82/03/598478203.db2.gz UFCONIWETTXTJW-UHFFFAOYSA-N -1 3 383.324 1.274 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737283568 598478206 /nfs/dbraw/zinc/47/82/06/598478206.db2.gz UFCONIWETTXTJW-UHFFFAOYSA-N -1 3 383.324 1.274 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc2c(c1)COC2 ZINC000738360401 598526541 /nfs/dbraw/zinc/52/65/41/598526541.db2.gz WELGDANEJLSJLN-UHFFFAOYSA-N -1 3 389.349 1.573 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc2c(c1)COC2 ZINC000738360401 598526542 /nfs/dbraw/zinc/52/65/42/598526542.db2.gz WELGDANEJLSJLN-UHFFFAOYSA-N -1 3 389.349 1.573 20 5 GDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738246375 598568905 /nfs/dbraw/zinc/56/89/05/598568905.db2.gz CBWOHKCTGGCGPD-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738246375 598568907 /nfs/dbraw/zinc/56/89/07/598568907.db2.gz CBWOHKCTGGCGPD-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000737222406 598595748 /nfs/dbraw/zinc/59/57/48/598595748.db2.gz YDDLWVZOKLPUNG-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000737222406 598595749 /nfs/dbraw/zinc/59/57/49/598595749.db2.gz YDDLWVZOKLPUNG-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM CCOc1ccnc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000736655883 598674064 /nfs/dbraw/zinc/67/40/64/598674064.db2.gz YDGKNQACBYMCRN-UHFFFAOYSA-N -1 3 397.399 1.290 20 5 GDBDHM CCOc1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000736655883 598674066 /nfs/dbraw/zinc/67/40/66/598674066.db2.gz YDGKNQACBYMCRN-UHFFFAOYSA-N -1 3 397.399 1.290 20 5 GDBDHM Cc1ccccc1CS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737428523 598710045 /nfs/dbraw/zinc/71/00/45/598710045.db2.gz RBRCDXYJLRNCFL-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1ccccc1CS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737428523 598710046 /nfs/dbraw/zinc/71/00/46/598710046.db2.gz RBRCDXYJLRNCFL-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1nn(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c(C)c1[N+](=O)[O-] ZINC000737520981 598723199 /nfs/dbraw/zinc/72/31/99/598723199.db2.gz GYJFCZWJLXEROU-UHFFFAOYSA-N -1 3 397.443 1.758 20 5 GDBDHM Cc1nn(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(C)c1[N+](=O)[O-] ZINC000737520981 598723201 /nfs/dbraw/zinc/72/32/01/598723201.db2.gz GYJFCZWJLXEROU-UHFFFAOYSA-N -1 3 397.443 1.758 20 5 GDBDHM CN(Cc1c(F)cccc1[N+](=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736815841 598756961 /nfs/dbraw/zinc/75/69/61/598756961.db2.gz ZKZQDOICTUWDPK-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM CN(Cc1c(F)cccc1[N+](=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736815841 598756962 /nfs/dbraw/zinc/75/69/62/598756962.db2.gz ZKZQDOICTUWDPK-UHFFFAOYSA-N -1 3 392.372 1.735 20 5 GDBDHM CN(C[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736788295 598772448 /nfs/dbraw/zinc/77/24/48/598772448.db2.gz IRKQUBALOKAMCK-OAHLLOKOSA-N -1 3 384.396 1.789 20 5 GDBDHM CN(C[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736788295 598772449 /nfs/dbraw/zinc/77/24/49/598772449.db2.gz IRKQUBALOKAMCK-OAHLLOKOSA-N -1 3 384.396 1.789 20 5 GDBDHM NC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737730756 598799203 /nfs/dbraw/zinc/79/92/03/598799203.db2.gz KSEMEAGYPDKKMI-NSHDSACASA-N -1 3 385.359 1.670 20 5 GDBDHM NC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737730756 598799205 /nfs/dbraw/zinc/79/92/05/598799205.db2.gz KSEMEAGYPDKKMI-NSHDSACASA-N -1 3 385.359 1.670 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCn3c(nnc3-c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823650811 599361095 /nfs/dbraw/zinc/36/10/95/599361095.db2.gz BEQODQPQWRDEOX-UHFFFAOYSA-N -1 3 390.367 1.449 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCn3c(nnc3-c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823650811 599361099 /nfs/dbraw/zinc/36/10/99/599361099.db2.gz BEQODQPQWRDEOX-UHFFFAOYSA-N -1 3 390.367 1.449 20 5 GDBDHM O=C(CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)NC1CC1 ZINC000822959106 599479118 /nfs/dbraw/zinc/47/91/18/599479118.db2.gz RTEYKFYBGAZVCJ-UHFFFAOYSA-N -1 3 382.384 1.794 20 5 GDBDHM O=C(CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)NC1CC1 ZINC000822959106 599479120 /nfs/dbraw/zinc/47/91/20/599479120.db2.gz RTEYKFYBGAZVCJ-UHFFFAOYSA-N -1 3 382.384 1.794 20 5 GDBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000826252095 607383510 /nfs/dbraw/zinc/38/35/10/607383510.db2.gz OBYLNHJFRPUQJQ-UHFFFAOYSA-N -1 3 382.336 1.539 20 5 GDBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000826252095 607383512 /nfs/dbraw/zinc/38/35/12/607383512.db2.gz OBYLNHJFRPUQJQ-UHFFFAOYSA-N -1 3 382.336 1.539 20 5 GDBDHM Cc1c(CC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236353 607390675 /nfs/dbraw/zinc/39/06/75/607390675.db2.gz IKFMUHKWSZZBEX-MRXNPFEDSA-N -1 3 396.363 1.396 20 5 GDBDHM Cc1c(CC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236353 607390677 /nfs/dbraw/zinc/39/06/77/607390677.db2.gz IKFMUHKWSZZBEX-MRXNPFEDSA-N -1 3 396.363 1.396 20 5 GDBDHM O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000826499039 607562419 /nfs/dbraw/zinc/56/24/19/607562419.db2.gz STLHJHVBFQNPJS-UHFFFAOYSA-N -1 3 395.426 1.227 20 5 GDBDHM O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000826499039 607562420 /nfs/dbraw/zinc/56/24/20/607562420.db2.gz STLHJHVBFQNPJS-UHFFFAOYSA-N -1 3 395.426 1.227 20 5 GDBDHM COc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826196897 607584382 /nfs/dbraw/zinc/58/43/82/607584382.db2.gz RVZPRKBEYDXTCM-UHFFFAOYSA-N -1 3 398.379 1.869 20 5 GDBDHM COc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826196897 607584383 /nfs/dbraw/zinc/58/43/83/607584383.db2.gz RVZPRKBEYDXTCM-UHFFFAOYSA-N -1 3 398.379 1.869 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212504 607586631 /nfs/dbraw/zinc/58/66/31/607586631.db2.gz SVVWAIALDGKJPE-UHFFFAOYSA-N -1 3 384.352 1.722 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212504 607586632 /nfs/dbraw/zinc/58/66/32/607586632.db2.gz SVVWAIALDGKJPE-UHFFFAOYSA-N -1 3 384.352 1.722 20 5 GDBDHM COc1ccc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205185 607610821 /nfs/dbraw/zinc/61/08/21/607610821.db2.gz NEYPYDAQACIVLV-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM COc1ccc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205185 607610822 /nfs/dbraw/zinc/61/08/22/607610822.db2.gz NEYPYDAQACIVLV-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)nc1 ZINC000826498752 607728901 /nfs/dbraw/zinc/72/89/01/607728901.db2.gz IIGPHJFYLARICO-SNVBAGLBSA-N -1 3 387.791 1.909 20 5 GDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)nc1 ZINC000826498752 607728903 /nfs/dbraw/zinc/72/89/03/607728903.db2.gz IIGPHJFYLARICO-SNVBAGLBSA-N -1 3 387.791 1.909 20 5 GDBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000824201206 607734601 /nfs/dbraw/zinc/73/46/01/607734601.db2.gz YNQYUOGZFZYNIW-LLVKDONJSA-N -1 3 397.359 1.752 20 5 GDBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824201206 607734602 /nfs/dbraw/zinc/73/46/02/607734602.db2.gz YNQYUOGZFZYNIW-LLVKDONJSA-N -1 3 397.359 1.752 20 5 GDBDHM 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CC(C)c1nc([C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC000824359213 609494882 /nfs/dbraw/zinc/49/48/82/609494882.db2.gz UDIGNMJZVKDDOD-ZDUSSCGKSA-N -1 3 386.372 1.859 20 5 GDBDHM Cc1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826291978 609511386 /nfs/dbraw/zinc/51/13/86/609511386.db2.gz CWRZWSFTDGLLAE-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826291978 609511388 /nfs/dbraw/zinc/51/13/88/609511388.db2.gz CWRZWSFTDGLLAE-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826499961 609540182 /nfs/dbraw/zinc/54/01/82/609540182.db2.gz GLCLPHCIGYFNLR-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826499961 609540185 /nfs/dbraw/zinc/54/01/85/609540185.db2.gz GLCLPHCIGYFNLR-UHFFFAOYSA-N -1 3 394.800 1.907 20 5 GDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] 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COC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896975 598884471 /nfs/dbraw/zinc/88/44/71/598884471.db2.gz QIYYJLCGTPNFPR-INIZCTEOSA-N -1 3 398.379 1.658 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899472 598893704 /nfs/dbraw/zinc/89/37/04/598893704.db2.gz MVSTYZVXMXHGMO-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899472 598893706 /nfs/dbraw/zinc/89/37/06/598893706.db2.gz MVSTYZVXMXHGMO-CQSZACIVSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900602 598893929 /nfs/dbraw/zinc/89/39/29/598893929.db2.gz SUSQHWJNGHGWJO-LBPRGKRZSA-N -1 3 389.349 1.908 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900602 598893930 /nfs/dbraw/zinc/89/39/30/598893930.db2.gz SUSQHWJNGHGWJO-LBPRGKRZSA-N -1 3 389.349 1.908 20 5 GDBDHM Cc1ccnc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000737436164 599040119 /nfs/dbraw/zinc/04/01/19/599040119.db2.gz FYEIVOXCEPHCFA-UHFFFAOYSA-N -1 3 380.412 1.801 20 5 GDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820778403 599044037 /nfs/dbraw/zinc/04/40/37/599044037.db2.gz WKGXUAHQVYSWNX-JTQLQIEISA-N -1 3 390.404 1.616 20 5 GDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820778403 599044040 /nfs/dbraw/zinc/04/40/40/599044040.db2.gz WKGXUAHQVYSWNX-JTQLQIEISA-N -1 3 390.404 1.616 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC000737284000 599082886 /nfs/dbraw/zinc/08/28/86/599082886.db2.gz WRANEADCGCKXHR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC000737284000 599082888 /nfs/dbraw/zinc/08/28/88/599082888.db2.gz WRANEADCGCKXHR-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM COc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000821873792 599183360 /nfs/dbraw/zinc/18/33/60/599183360.db2.gz YLYPQYGKYZJYBA-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM COc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000821873792 599183361 /nfs/dbraw/zinc/18/33/61/599183361.db2.gz YLYPQYGKYZJYBA-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000738035865 599280125 /nfs/dbraw/zinc/28/01/25/599280125.db2.gz NGECUAPBJIVXGF-UHFFFAOYSA-N -1 3 383.368 1.767 20 5 GDBDHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000738035865 599280127 /nfs/dbraw/zinc/28/01/27/599280127.db2.gz NGECUAPBJIVXGF-UHFFFAOYSA-N -1 3 383.368 1.767 20 5 GDBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823634508 607332343 /nfs/dbraw/zinc/33/23/43/607332343.db2.gz IUNJMGLJLTWRFV-UHFFFAOYSA-N -1 3 383.292 1.821 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCCN(Cc3cscn3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370532 598460018 /nfs/dbraw/zinc/46/00/18/598460018.db2.gz VGSWKNNOLDXPSO-UHFFFAOYSA-N -1 3 387.429 1.339 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCCN(Cc3cscn3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370532 598460020 /nfs/dbraw/zinc/46/00/20/598460020.db2.gz VGSWKNNOLDXPSO-UHFFFAOYSA-N -1 3 387.429 1.339 20 5 GDBDHM O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826419635 607359904 /nfs/dbraw/zinc/35/99/04/607359904.db2.gz GHIACKDENZVBRY-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826419635 607359906 /nfs/dbraw/zinc/35/99/06/607359906.db2.gz GHIACKDENZVBRY-UHFFFAOYSA-N -1 3 383.320 1.580 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109102644 598568240 /nfs/dbraw/zinc/56/82/40/598568240.db2.gz KQBJRSKUZFHROG-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109102644 598568242 /nfs/dbraw/zinc/56/82/42/598568242.db2.gz KQBJRSKUZFHROG-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM 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ZINC000737291444 598589554 /nfs/dbraw/zinc/58/95/54/598589554.db2.gz LKMIMRWAKSDBAT-UHFFFAOYSA-N -1 3 382.336 1.913 20 5 GDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736829234 598638306 /nfs/dbraw/zinc/63/83/06/598638306.db2.gz YBKHRWYWXCHYDF-UHFFFAOYSA-N -1 3 399.342 1.511 20 5 GDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736829234 598638308 /nfs/dbraw/zinc/63/83/08/598638308.db2.gz YBKHRWYWXCHYDF-UHFFFAOYSA-N -1 3 399.342 1.511 20 5 GDBDHM Cc1c(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737217968 598691926 /nfs/dbraw/zinc/69/19/26/598691926.db2.gz JBBYGIHJFQIXSM-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736843058 598775961 /nfs/dbraw/zinc/77/59/61/598775961.db2.gz YQKYOXWCAQBIBR-LLVKDONJSA-N -1 3 385.306 1.374 20 5 GDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736843058 598775963 /nfs/dbraw/zinc/77/59/63/598775963.db2.gz YQKYOXWCAQBIBR-LLVKDONJSA-N -1 3 385.306 1.374 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826212072 607368983 /nfs/dbraw/zinc/36/89/83/607368983.db2.gz FWYVTFUXJCWWGF-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826212072 607368985 /nfs/dbraw/zinc/36/89/85/607368985.db2.gz FWYVTFUXJCWWGF-UHFFFAOYSA-N -1 3 383.320 1.823 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738151721 598804016 /nfs/dbraw/zinc/80/40/16/598804016.db2.gz VULFZEHRMNIHGI-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738151721 598804017 /nfs/dbraw/zinc/80/40/17/598804017.db2.gz VULFZEHRMNIHGI-UHFFFAOYSA-N -1 3 377.324 1.608 20 5 GDBDHM COc1cc(OC)cc([C@@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737053017 599304160 /nfs/dbraw/zinc/30/41/60/599304160.db2.gz XWYVKYIGJFMJNY-INIZCTEOSA-N -1 3 386.368 1.938 20 5 GDBDHM COc1cc(OC)cc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737053017 599304163 /nfs/dbraw/zinc/30/41/63/599304163.db2.gz XWYVKYIGJFMJNY-INIZCTEOSA-N -1 3 386.368 1.938 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000821846316 599490697 /nfs/dbraw/zinc/49/06/97/599490697.db2.gz QJLPXDVMFIWKSN-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000821846316 599490699 /nfs/dbraw/zinc/49/06/99/599490699.db2.gz QJLPXDVMFIWKSN-UHFFFAOYSA-N -1 3 382.384 1.505 20 5 GDBDHM C[C@H]1COCCN1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814466 599525856 /nfs/dbraw/zinc/52/58/56/599525856.db2.gz WCUJCXXIUVPPBZ-NSHDSACASA-N -1 3 384.400 1.456 20 5 GDBDHM C[C@H]1COCCN1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814466 599525858 /nfs/dbraw/zinc/52/58/58/599525858.db2.gz WCUJCXXIUVPPBZ-NSHDSACASA-N -1 3 384.400 1.456 20 5 GDBDHM CNC(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821631578 599549945 /nfs/dbraw/zinc/54/99/45/599549945.db2.gz MNSMJZOTQOPFHL-SNVBAGLBSA-N -1 3 382.384 1.286 20 5 GDBDHM CNC(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821631578 599549946 /nfs/dbraw/zinc/54/99/46/599549946.db2.gz MNSMJZOTQOPFHL-SNVBAGLBSA-N -1 3 382.384 1.286 20 5 GDBDHM NC(=O)[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850541 599666882 /nfs/dbraw/zinc/66/68/82/599666882.db2.gz JWPMAQIQEMFSKU-OAHLLOKOSA-N -1 3 382.336 1.087 20 5 GDBDHM NC(=O)[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850541 599666883 /nfs/dbraw/zinc/66/68/83/599666883.db2.gz JWPMAQIQEMFSKU-OAHLLOKOSA-N -1 3 382.336 1.087 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822271102 599667474 /nfs/dbraw/zinc/66/74/74/599667474.db2.gz MNQGQGFIZMYIRX-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822271102 599667475 /nfs/dbraw/zinc/66/74/75/599667475.db2.gz MNQGQGFIZMYIRX-UHFFFAOYSA-N -1 3 396.363 1.557 20 5 GDBDHM CN(CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000821593761 599670733 /nfs/dbraw/zinc/67/07/33/599670733.db2.gz IULVOGOZUOXIDX-UHFFFAOYSA-N -1 3 398.379 1.833 20 5 GDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000821740939 607414976 /nfs/dbraw/zinc/41/49/76/607414976.db2.gz FBESQVRVLLONQY-UHFFFAOYSA-N -1 3 387.356 1.422 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000821740939 607414979 /nfs/dbraw/zinc/41/49/79/607414979.db2.gz FBESQVRVLLONQY-UHFFFAOYSA-N -1 3 387.356 1.422 20 5 GDBDHM Cn1nnc2cc(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)ccc21 ZINC000826367012 607563316 /nfs/dbraw/zinc/56/33/16/607563316.db2.gz HUIZBZATBMUISB-UHFFFAOYSA-N -1 3 399.758 1.962 20 5 GDBDHM Cn1nnc2cc(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)ccc21 ZINC000826367012 607563317 /nfs/dbraw/zinc/56/33/17/607563317.db2.gz HUIZBZATBMUISB-UHFFFAOYSA-N -1 3 399.758 1.962 20 5 GDBDHM Cc1nnc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2nnn[n-]2)c1C ZINC000826336041 607728058 /nfs/dbraw/zinc/72/80/58/607728058.db2.gz KWZNWQQQJUESTD-NSHDSACASA-N -1 3 382.388 1.268 20 5 GDBDHM Cc1nnc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2nn[n-]n2)c1C ZINC000826336041 607728061 /nfs/dbraw/zinc/72/80/61/607728061.db2.gz KWZNWQQQJUESTD-NSHDSACASA-N -1 3 382.388 1.268 20 5 GDBDHM Cc1cc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000822209512 606035625 /nfs/dbraw/zinc/03/56/25/606035625.db2.gz LYOTXEQECXRDMW-UHFFFAOYSA-N -1 3 381.400 1.954 20 5 GDBDHM Cc1cc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000822209512 606035630 /nfs/dbraw/zinc/03/56/30/606035630.db2.gz LYOTXEQECXRDMW-UHFFFAOYSA-N -1 3 381.400 1.954 20 5 GDBDHM CNC(=O)CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821632776 606045289 /nfs/dbraw/zinc/04/52/89/606045289.db2.gz IURNJJGPTWPRQZ-UHFFFAOYSA-N -1 3 396.411 1.676 20 5 GDBDHM CNC(=O)CC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821632776 606045296 /nfs/dbraw/zinc/04/52/96/606045296.db2.gz IURNJJGPTWPRQZ-UHFFFAOYSA-N -1 3 396.411 1.676 20 5 GDBDHM CCOc1cc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000821401271 606060012 /nfs/dbraw/zinc/06/00/12/606060012.db2.gz UMDZVSBDKGIVPG-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM CCOc1cc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000821401271 606060017 /nfs/dbraw/zinc/06/00/17/606060017.db2.gz UMDZVSBDKGIVPG-UHFFFAOYSA-N -1 3 396.411 1.895 20 5 GDBDHM COC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644857 606302513 /nfs/dbraw/zinc/30/25/13/606302513.db2.gz LFVWCMQNGPBTTE-INIZCTEOSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644857 606302514 /nfs/dbraw/zinc/30/25/14/606302514.db2.gz LFVWCMQNGPBTTE-INIZCTEOSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648529 606368267 /nfs/dbraw/zinc/36/82/67/606368267.db2.gz MDVZGOQSVFBSNJ-CYBMUJFWSA-N -1 3 386.324 1.185 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648529 606368269 /nfs/dbraw/zinc/36/82/69/606368269.db2.gz MDVZGOQSVFBSNJ-CYBMUJFWSA-N -1 3 386.324 1.185 20 5 GDBDHM NS(=O)(=O)c1ccc(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000822895144 606644296 /nfs/dbraw/zinc/64/42/96/606644296.db2.gz LMZBANSBUZEALT-UHFFFAOYSA-N -1 3 389.397 1.077 20 5 GDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822983763 606674007 /nfs/dbraw/zinc/67/40/07/606674007.db2.gz UBKWEWJVDGERLI-UHFFFAOYSA-N -1 3 382.384 1.331 20 5 GDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822983763 606674008 /nfs/dbraw/zinc/67/40/08/606674008.db2.gz UBKWEWJVDGERLI-UHFFFAOYSA-N -1 3 382.384 1.331 20 5 GDBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000822902543 606695318 /nfs/dbraw/zinc/69/53/18/606695318.db2.gz CRYDFPFXGFFREY-UHFFFAOYSA-N -1 3 393.161 1.199 20 5 GDBDHM Cc1cc(N2CCC(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)nc(C)n1 ZINC000822207519 606717150 /nfs/dbraw/zinc/71/71/50/606717150.db2.gz YSUBFGLAICJJQE-UHFFFAOYSA-N -1 3 396.415 1.658 20 5 GDBDHM Cc1cc(N2CCC(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)nc(C)n1 ZINC000822207519 606717152 /nfs/dbraw/zinc/71/71/52/606717152.db2.gz YSUBFGLAICJJQE-UHFFFAOYSA-N -1 3 396.415 1.658 20 5 GDBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823657816 606778141 /nfs/dbraw/zinc/77/81/41/606778141.db2.gz VDWOKBAKIPKHLW-LLVKDONJSA-N -1 3 392.759 1.030 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC(OCCCO)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823646043 606806700 /nfs/dbraw/zinc/80/67/00/606806700.db2.gz ZHJJVPNJFVMQPK-UHFFFAOYSA-N -1 3 399.411 1.691 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCC(OCCCO)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823646043 606806701 /nfs/dbraw/zinc/80/67/01/606806701.db2.gz ZHJJVPNJFVMQPK-UHFFFAOYSA-N -1 3 399.411 1.691 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639804 606879174 /nfs/dbraw/zinc/87/91/74/606879174.db2.gz HJJQEMULSRNGNV-SWLSCSKDSA-N -1 3 386.368 1.697 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823639804 606879175 /nfs/dbraw/zinc/87/91/75/606879175.db2.gz HJJQEMULSRNGNV-SWLSCSKDSA-N -1 3 386.368 1.697 20 5 GDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823409999 606902112 /nfs/dbraw/zinc/90/21/12/606902112.db2.gz PKILXZKXUXIJJZ-UHFFFAOYSA-N -1 3 397.273 1.847 20 5 GDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823409999 606902113 /nfs/dbraw/zinc/90/21/13/606902113.db2.gz PKILXZKXUXIJJZ-UHFFFAOYSA-N -1 3 397.273 1.847 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822203437 607021971 /nfs/dbraw/zinc/02/19/71/607021971.db2.gz UDZNKAYLXSMDAA-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822203437 607021973 /nfs/dbraw/zinc/02/19/73/607021973.db2.gz UDZNKAYLXSMDAA-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(CCc2ccccc2)CC1 ZINC000823620878 607165489 /nfs/dbraw/zinc/16/54/89/607165489.db2.gz RTIRPCALTHVCGA-UHFFFAOYSA-N -1 3 380.412 1.535 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826500534 607811167 /nfs/dbraw/zinc/81/11/67/607811167.db2.gz BGXMTTKKSCQEOJ-SFHVURJKSA-N -1 3 379.380 1.848 20 5 GDBDHM O=[N+]([O-])c1cnc(N2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000826500534 607811168 /nfs/dbraw/zinc/81/11/68/607811168.db2.gz BGXMTTKKSCQEOJ-SFHVURJKSA-N -1 3 379.380 1.848 20 5 GDBDHM COCCOc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826161165 607863078 /nfs/dbraw/zinc/86/30/78/607863078.db2.gz WKSFIDAEEKQWJE-UHFFFAOYSA-N -1 3 391.125 1.405 20 5 GDBDHM COCCOc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826161165 607863079 /nfs/dbraw/zinc/86/30/79/607863079.db2.gz WKSFIDAEEKQWJE-UHFFFAOYSA-N -1 3 391.125 1.405 20 5 GDBDHM COc1ccc(OC)c([C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826210763 607876287 /nfs/dbraw/zinc/87/62/87/607876287.db2.gz DFAWFJQVLVTQMS-AWEZNQCLSA-N -1 3 387.352 1.905 20 5 GDBDHM COc1ccc(OC)c([C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826210763 607876288 /nfs/dbraw/zinc/87/62/88/607876288.db2.gz DFAWFJQVLVTQMS-AWEZNQCLSA-N -1 3 387.352 1.905 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1sccc1-c1nnn[n-]1 ZINC000826411789 607943368 /nfs/dbraw/zinc/94/33/68/607943368.db2.gz NPBXMZIXBHJLLT-UHFFFAOYSA-N -1 3 385.409 1.833 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1sccc1-c1nn[n-]n1 ZINC000826411789 607943369 /nfs/dbraw/zinc/94/33/69/607943369.db2.gz NPBXMZIXBHJLLT-UHFFFAOYSA-N -1 3 385.409 1.833 20 5 GDBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826500918 608002254 /nfs/dbraw/zinc/00/22/54/608002254.db2.gz RNIQKDWMEXGQOM-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826500918 608002255 /nfs/dbraw/zinc/00/22/55/608002255.db2.gz RNIQKDWMEXGQOM-UHFFFAOYSA-N -1 3 379.329 1.823 20 5 GDBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000826161310 608136963 /nfs/dbraw/zinc/13/69/63/608136963.db2.gz BKLQVPWDNUDWOK-UHFFFAOYSA-N -1 3 387.356 1.391 20 5 GDBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000826161310 608136964 /nfs/dbraw/zinc/13/69/64/608136964.db2.gz BKLQVPWDNUDWOK-UHFFFAOYSA-N -1 3 387.356 1.391 20 5 GDBDHM COc1cc(-c2nnn[n-]2)ccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000826168745 608260443 /nfs/dbraw/zinc/26/04/43/608260443.db2.gz XFWYCRMYWPUGNX-UHFFFAOYSA-N -1 3 380.320 1.580 20 5 GDBDHM COc1cc(-c2nn[n-]n2)ccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000826168745 608260444 /nfs/dbraw/zinc/26/04/44/608260444.db2.gz XFWYCRMYWPUGNX-UHFFFAOYSA-N 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CC(C)n1cnnc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824377487 608378834 /nfs/dbraw/zinc/37/88/34/608378834.db2.gz GBDIOYCNSPVQDQ-NSHDSACASA-N -1 3 384.404 1.726 20 5 GDBDHM Nc1nc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000826396288 608558324 /nfs/dbraw/zinc/55/83/24/608558324.db2.gz PZPNRGACKRFRIR-UHFFFAOYSA-N -1 3 398.387 1.344 20 5 GDBDHM Nc1nc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000826396288 608558327 /nfs/dbraw/zinc/55/83/27/608558327.db2.gz PZPNRGACKRFRIR-UHFFFAOYSA-N -1 3 398.387 1.344 20 5 GDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464318 609640397 /nfs/dbraw/zinc/64/03/97/609640397.db2.gz RUROJSUVEDFNEY-HNNXBMFYSA-N -1 3 385.336 1.431 20 5 GDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464318 609640398 /nfs/dbraw/zinc/64/03/98/609640398.db2.gz RUROJSUVEDFNEY-HNNXBMFYSA-N -1 3 385.336 1.431 20 5 GDBDHM Cn1c(=O)ccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 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/nfs/dbraw/zinc/58/93/82/598589382.db2.gz CRAWGEGDRQNYNJ-UHFFFAOYSA-N -1 3 396.363 1.625 20 5 GDBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000737770585 598606367 /nfs/dbraw/zinc/60/63/67/598606367.db2.gz LQQHSXXCXUYAAX-UHFFFAOYSA-N -1 3 384.312 1.157 20 5 GDBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000737770585 598606369 /nfs/dbraw/zinc/60/63/69/598606369.db2.gz LQQHSXXCXUYAAX-UHFFFAOYSA-N -1 3 384.312 1.157 20 5 GDBDHM O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738370276 598758103 /nfs/dbraw/zinc/75/81/03/598758103.db2.gz UCCMPHUOIXDAFU-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738370276 598758104 /nfs/dbraw/zinc/75/81/04/598758104.db2.gz UCCMPHUOIXDAFU-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM CN(Cc1ccccc1N1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821615705 599320096 /nfs/dbraw/zinc/32/00/96/599320096.db2.gz JTUDYPYXIYWBKA-UHFFFAOYSA-N -1 3 396.411 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Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822271055 599667434 /nfs/dbraw/zinc/66/74/34/599667434.db2.gz KPZNQMAWFJCQIQ-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822271055 599667435 /nfs/dbraw/zinc/66/74/35/599667435.db2.gz KPZNQMAWFJCQIQ-UHFFFAOYSA-N -1 3 382.336 1.879 20 5 GDBDHM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824640535 607591526 /nfs/dbraw/zinc/59/15/26/607591526.db2.gz KKAAVVDWROUMFU-VIFPVBQESA-N -1 3 392.372 1.954 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826211953 607594417 /nfs/dbraw/zinc/59/44/17/607594417.db2.gz BJRQVTJWSIGORK-UHFFFAOYSA-N -1 3 390.381 1.262 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826211953 607594419 /nfs/dbraw/zinc/59/44/19/607594419.db2.gz BJRQVTJWSIGORK-UHFFFAOYSA-N -1 3 390.381 1.262 20 5 GDBDHM CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 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JKIYXMVIEHOLNB-NSHDSACASA-N -1 3 375.389 1.730 20 5 GDBDHM CN(Cc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821617122 606480596 /nfs/dbraw/zinc/48/05/96/606480596.db2.gz XUMFEMGNUFFDQP-UHFFFAOYSA-N -1 3 379.340 1.856 20 5 GDBDHM CN(Cc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821617122 606480598 /nfs/dbraw/zinc/48/05/98/606480598.db2.gz XUMFEMGNUFFDQP-UHFFFAOYSA-N -1 3 379.340 1.856 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822212802 606564255 /nfs/dbraw/zinc/56/42/55/606564255.db2.gz HWUKDBQPQKVQBN-UHFFFAOYSA-N -1 3 388.365 1.940 20 5 GDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822212802 606564257 /nfs/dbraw/zinc/56/42/57/606564257.db2.gz HWUKDBQPQKVQBN-UHFFFAOYSA-N -1 3 388.365 1.940 20 5 GDBDHM Cc1n[nH]c(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000822010237 606593358 /nfs/dbraw/zinc/59/33/58/606593358.db2.gz UMRPOVUTDQVLBE-UHFFFAOYSA-N -1 3 397.399 1.205 20 5 GDBDHM Cc1n[nH]c(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000822010237 606593359 /nfs/dbraw/zinc/59/33/59/606593359.db2.gz UMRPOVUTDQVLBE-UHFFFAOYSA-N -1 3 397.399 1.205 20 5 GDBDHM O=C(c1cccc(O)c1)N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000823493137 606645966 /nfs/dbraw/zinc/64/59/66/606645966.db2.gz FHOLEVPWKCJIAO-UHFFFAOYSA-N -1 3 395.379 1.443 20 5 GDBDHM O=C(c1cccc(O)c1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000823493137 606645967 /nfs/dbraw/zinc/64/59/67/606645967.db2.gz FHOLEVPWKCJIAO-UHFFFAOYSA-N -1 3 395.379 1.443 20 5 GDBDHM O=[N+]([O-])c1cc(NC[C@@]2(N3CCOCC3)CCSC2)ccc1-c1nnn[n-]1 ZINC000823634510 606645985 /nfs/dbraw/zinc/64/59/85/606645985.db2.gz IXPKQDDNDDWYAR-INIZCTEOSA-N -1 3 391.457 1.395 20 5 GDBDHM O=[N+]([O-])c1cc(NC[C@@]2(N3CCOCC3)CCSC2)ccc1-c1nn[n-]n1 ZINC000823634510 606645986 /nfs/dbraw/zinc/64/59/86/606645986.db2.gz IXPKQDDNDDWYAR-INIZCTEOSA-N -1 3 391.457 1.395 20 5 GDBDHM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000820629161 606878715 /nfs/dbraw/zinc/87/87/15/606878715.db2.gz UOJXEVXVQLUCOQ-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000820629161 606878716 /nfs/dbraw/zinc/87/87/16/606878716.db2.gz UOJXEVXVQLUCOQ-GOSISDBHSA-N -1 3 393.363 1.742 20 5 GDBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823487316 606903198 /nfs/dbraw/zinc/90/31/98/606903198.db2.gz ABFQEMYMCPUAOY-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823487316 606903200 /nfs/dbraw/zinc/90/32/00/606903200.db2.gz ABFQEMYMCPUAOY-UHFFFAOYSA-N -1 3 398.358 1.271 20 5 GDBDHM Nc1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc(F)cc1[N+](=O)[O-] ZINC000822904394 607079706 /nfs/dbraw/zinc/07/97/06/607079706.db2.gz XLNOJBOKJYGEIY-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Nc1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc(F)cc1[N+](=O)[O-] ZINC000822904394 607079708 /nfs/dbraw/zinc/07/97/08/607079708.db2.gz XLNOJBOKJYGEIY-UHFFFAOYSA-N -1 3 376.279 1.992 20 5 GDBDHM Cc1cnc(CN(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)o1 ZINC000822388943 607174923 /nfs/dbraw/zinc/17/49/23/607174923.db2.gz HDJNVERBAGRALW-ZDUSSCGKSA-N -1 3 384.400 1.782 20 5 GDBDHM Cc1noc([C@H](C)N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)n1 ZINC000826338553 607841513 /nfs/dbraw/zinc/84/15/13/607841513.db2.gz ZMVXTPGBNHWQHE-JTQLQIEISA-N -1 3 385.388 1.350 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CCOC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499291 607849346 /nfs/dbraw/zinc/84/93/46/607849346.db2.gz CVCKXCSSOKEILQ-ZDUSSCGKSA-N -1 3 396.411 1.234 20 5 GDBDHM O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826425770 607863193 /nfs/dbraw/zinc/86/31/93/607863193.db2.gz SLGNFEVHKNNELW-UHFFFAOYSA-N -1 3 393.319 1.475 20 5 GDBDHM O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826425770 607863194 /nfs/dbraw/zinc/86/31/94/607863194.db2.gz SLGNFEVHKNNELW-UHFFFAOYSA-N -1 3 393.319 1.475 20 5 GDBDHM Cc1cccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826300281 607867007 /nfs/dbraw/zinc/86/70/07/607867007.db2.gz OGCNMNPLTYLBNO-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM Cc1cccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826300281 607867008 /nfs/dbraw/zinc/86/70/08/607867008.db2.gz OGCNMNPLTYLBNO-UHFFFAOYSA-N -1 3 375.366 1.992 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826212698 607872550 /nfs/dbraw/zinc/87/25/50/607872550.db2.gz YJUQNFGHEDYXEF-CYBMUJFWSA-N -1 3 387.352 1.602 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COCc1ccccc1F ZINC000826497571 607873644 /nfs/dbraw/zinc/87/36/44/607873644.db2.gz MCGKCCDMPANHIU-CYBMUJFWSA-N -1 3 389.343 1.871 20 5 GDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COCc1ccccc1F ZINC000826497571 607873645 /nfs/dbraw/zinc/87/36/45/607873645.db2.gz MCGKCCDMPANHIU-CYBMUJFWSA-N -1 3 389.343 1.871 20 5 GDBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826497614 607934586 /nfs/dbraw/zinc/93/45/86/607934586.db2.gz NKRXRCOHSMVXKN-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826497614 607934587 /nfs/dbraw/zinc/93/45/87/607934587.db2.gz NKRXRCOHSMVXKN-UHFFFAOYSA-N -1 3 390.356 1.665 20 5 GDBDHM O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470112 607949504 /nfs/dbraw/zinc/94/95/04/607949504.db2.gz COJAAPDAVWIWBS-UHFFFAOYSA-N -1 3 394.347 1.749 20 5 GDBDHM O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470112 607949505 /nfs/dbraw/zinc/94/95/05/607949505.db2.gz COJAAPDAVWIWBS-UHFFFAOYSA-N -1 3 394.347 1.749 20 5 GDBDHM Cc1nn(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)c1[N+](=O)[O-] ZINC000826335096 607951597 /nfs/dbraw/zinc/95/15/97/607951597.db2.gz YEDGAOHANASHCR-UHFFFAOYSA-N -1 3 382.384 1.568 20 5 GDBDHM Cc1nn(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)c1[N+](=O)[O-] ZINC000826335096 607951598 /nfs/dbraw/zinc/95/15/98/607951598.db2.gz YEDGAOHANASHCR-UHFFFAOYSA-N -1 3 382.384 1.568 20 5 GDBDHM CN(C)c1ccc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825879308 608128362 /nfs/dbraw/zinc/12/83/62/608128362.db2.gz KROUTZWLNUYGAA-UHFFFAOYSA-N -1 3 398.379 1.963 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826500298 608332338 /nfs/dbraw/zinc/33/23/38/608332338.db2.gz SMRKOZPRWFJDNI-UHFFFAOYSA-N -1 3 393.356 1.865 20 5 GDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826500298 608332340 /nfs/dbraw/zinc/33/23/40/608332340.db2.gz SMRKOZPRWFJDNI-UHFFFAOYSA-N -1 3 393.356 1.865 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824471017 608471354 /nfs/dbraw/zinc/47/13/54/608471354.db2.gz NABQSCMDLORUAH-JTQLQIEISA-N -1 3 381.352 1.591 20 5 GDBDHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824471017 608471355 /nfs/dbraw/zinc/47/13/55/608471355.db2.gz NABQSCMDLORUAH-JTQLQIEISA-N -1 3 381.352 1.591 20 5 GDBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440212 609246378 /nfs/dbraw/zinc/24/63/78/609246378.db2.gz DHYSPIDGSUBKPC-CQSZACIVSA-N -1 3 388.771 1.778 20 5 GDBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440212 609246381 /nfs/dbraw/zinc/24/63/81/609246381.db2.gz DHYSPIDGSUBKPC-CQSZACIVSA-N -1 3 388.771 1.778 20 5 GDBDHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826397731 609256435 /nfs/dbraw/zinc/25/64/35/609256435.db2.gz JSCSCPQKQZZMRY-INIZCTEOSA-N -1 3 380.364 1.393 20 5 GDBDHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826397731 609256436 /nfs/dbraw/zinc/25/64/36/609256436.db2.gz JSCSCPQKQZZMRY-INIZCTEOSA-N -1 3 380.364 1.393 20 5 GDBDHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000826430443 609266056 /nfs/dbraw/zinc/26/60/56/609266056.db2.gz CBHLDQPJAQRNBY-CYBMUJFWSA-N -1 3 396.367 1.028 20 5 GDBDHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000826430443 609266057 /nfs/dbraw/zinc/26/60/57/609266057.db2.gz CBHLDQPJAQRNBY-CYBMUJFWSA-N -1 3 396.367 1.028 20 5 GDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826452884 609384419 /nfs/dbraw/zinc/38/44/19/609384419.db2.gz MXXOIZBZWZJMJX-CYBMUJFWSA-N -1 3 380.324 1.302 20 5 GDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826452884 609384421 /nfs/dbraw/zinc/38/44/21/609384421.db2.gz MXXOIZBZWZJMJX-CYBMUJFWSA-N -1 3 380.324 1.302 20 5 GDBDHM O=C1[C@H](Oc2cccnc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478323 609416130 /nfs/dbraw/zinc/41/61/30/609416130.db2.gz ZANPDRKJRGIVLU-CQSZACIVSA-N -1 3 381.352 1.744 20 5 GDBDHM O=C1[C@H](Oc2cccnc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478323 609416132 /nfs/dbraw/zinc/41/61/32/609416132.db2.gz ZANPDRKJRGIVLU-CQSZACIVSA-N -1 3 381.352 1.744 20 5 GDBDHM Cc1ccnc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826308785 609577461 /nfs/dbraw/zinc/57/74/61/609577461.db2.gz PSNAYSCVNCHDDY-UHFFFAOYSA-N -1 3 378.146 1.392 20 5 GDBDHM Cc1ccnc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826308785 609577462 /nfs/dbraw/zinc/57/74/62/609577462.db2.gz PSNAYSCVNCHDDY-UHFFFAOYSA-N -1 3 378.146 1.392 20 5 GDBDHM COc1ccc(COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826204753 609634422 /nfs/dbraw/zinc/63/44/22/609634422.db2.gz YGGGEVLHKMLVRR-HNNXBMFYSA-N -1 3 385.336 1.560 20 5 GDBDHM COc1ccc(COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826204753 609634423 /nfs/dbraw/zinc/63/44/23/609634423.db2.gz YGGGEVLHKMLVRR-HNNXBMFYSA-N -1 3 385.336 1.560 20 5 GDBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000331324568 645499833 /nfs/dbraw/zinc/49/98/33/645499833.db2.gz DTZYKVCVWCYZSO-UHFFFAOYSA-N -1 3 392.231 1.258 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c2ncccc12 ZINC000464208715 647575253 /nfs/dbraw/zinc/57/52/53/647575253.db2.gz UWPSVTRFYOOGNL-MRVPVSSYSA-N -1 3 379.316 1.735 20 5 GDBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCOCC1 ZINC000467045029 647627031 /nfs/dbraw/zinc/62/70/31/647627031.db2.gz JGMFQGBOEVMCAO-CYBMUJFWSA-N -1 3 392.455 1.601 20 5 GDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589923818 652120262 /nfs/dbraw/zinc/12/02/62/652120262.db2.gz VQTDJFJDGBXEOA-PELKAZGASA-N -1 3 384.332 1.728 20 5 GDBDHM COC[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000594795291 652366090 /nfs/dbraw/zinc/36/60/90/652366090.db2.gz KIOHRNKVTAKHQP-JTQLQIEISA-N -1 3 386.348 1.943 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000599392744 652489010 /nfs/dbraw/zinc/48/90/10/652489010.db2.gz XBEWTWBOYPTTNR-GHMZBOCLSA-N -1 3 384.332 1.432 20 5 GDBDHM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610136267 652873215 /nfs/dbraw/zinc/87/32/15/652873215.db2.gz QDZIVMXYSVIEDV-QWRGUYRKSA-N -1 3 396.874 1.882 20 5 GDBDHM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610136265 652873462 /nfs/dbraw/zinc/87/34/62/652873462.db2.gz QDZIVMXYSVIEDV-GHMZBOCLSA-N -1 3 396.874 1.882 20 5 GDBDHM CC[S@@](=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293124 654700589 /nfs/dbraw/zinc/70/05/89/654700589.db2.gz KPSMFQSPKDOLLH-LJQANCHMSA-N -1 3 385.261 1.404 20 5 GDBDHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742296265 654700984 /nfs/dbraw/zinc/70/09/84/654700984.db2.gz MKKGRKVIEDZUCE-UHFFFAOYSA-N -1 3 395.231 1.977 20 5 GDBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)NCCF ZINC000800163784 654876663 /nfs/dbraw/zinc/87/66/63/654876663.db2.gz AASIGLMYKXRUKI-SSDOTTSWSA-N -1 3 398.210 1.110 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)c(Br)c1 ZINC000751205604 654877091 /nfs/dbraw/zinc/87/70/91/654877091.db2.gz SAFLECMJFRMNAM-SNVBAGLBSA-N -1 3 391.199 1.962 20 5 GDBDHM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)OCCCO1 ZINC000752826733 654936949 /nfs/dbraw/zinc/93/69/49/654936949.db2.gz MXMKVIMFJSMNNJ-UHFFFAOYSA-N -1 3 395.231 1.789 20 5 GDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000808258360 655102169 /nfs/dbraw/zinc/10/21/69/655102169.db2.gz GQJMFCKNTBZSNV-UHFFFAOYSA-N -1 3 387.165 1.882 20 5 GDBDHM CC[C@@](COC)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000841530305 655338860 /nfs/dbraw/zinc/33/88/60/655338860.db2.gz GIPUFRAOIPIHJE-AWEZNQCLSA-N -1 3 394.833 1.803 20 5 GDBDHM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841566895 655348895 /nfs/dbraw/zinc/34/88/95/655348895.db2.gz NCEVYQVQGHEZBV-MRVPVSSYSA-N -1 3 394.247 1.549 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000849471398 655541697 /nfs/dbraw/zinc/54/16/97/655541697.db2.gz 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/nfs/dbraw/zinc/97/96/13/531979613.db2.gz OLEMZAYFPLXMSN-NOZJJQNGSA-N -1 3 380.850 1.685 20 5 GDBDHM CCCN1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000420705961 532042087 /nfs/dbraw/zinc/04/20/87/532042087.db2.gz KSHMDMWFSYOPFH-JTQLQIEISA-N -1 3 375.834 1.785 20 5 GDBDHM CN1CC=C(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000272179761 532082833 /nfs/dbraw/zinc/08/28/33/532082833.db2.gz CQJJFXOLWLZBKQ-UHFFFAOYSA-N -1 3 390.259 1.898 20 5 GDBDHM COC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)OC ZINC000272959963 532125611 /nfs/dbraw/zinc/12/56/11/532125611.db2.gz NKSPHGNWGLCVJZ-QMMMGPOBSA-N -1 3 383.220 1.297 20 5 GDBDHM Cc1ncc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273394819 532148824 /nfs/dbraw/zinc/14/88/24/532148824.db2.gz FJGGEZXNGDYOCA-UHFFFAOYSA-N -1 3 391.452 1.112 20 5 GDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000273417457 532149054 /nfs/dbraw/zinc/14/90/54/532149054.db2.gz KBVQVVGSDGIXCL-VIFPVBQESA-N -1 3 385.423 1.920 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)c1C ZINC000286692558 532169283 /nfs/dbraw/zinc/16/92/83/532169283.db2.gz LVKFAMFOVLDVRP-LBPRGKRZSA-N -1 3 376.456 1.315 20 5 GDBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332569859 532195730 /nfs/dbraw/zinc/19/57/30/532195730.db2.gz CQSLNPAAKJVMSZ-LLVKDONJSA-N -1 3 397.185 1.042 20 5 GDBDHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000274162706 532190786 /nfs/dbraw/zinc/19/07/86/532190786.db2.gz GUFCPLUPJHZBLG-QMMMGPOBSA-N -1 3 386.304 1.376 20 5 GDBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC000275198461 532275568 /nfs/dbraw/zinc/27/55/68/532275568.db2.gz GICKHRSVPQXZDS-UHFFFAOYSA-N -1 3 391.833 1.384 20 5 GDBDHM COCCn1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000378543322 532291196 /nfs/dbraw/zinc/29/11/96/532291196.db2.gz IZLYKMBQDJGYBH-NSHDSACASA-N -1 3 386.455 1.855 20 5 GDBDHM C[C@]1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOC1=O ZINC000289450674 532324692 /nfs/dbraw/zinc/32/46/92/532324692.db2.gz FOZMIOIPQGAKDK-NSHDSACASA-N -1 3 379.188 1.341 20 5 GDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C ZINC000276060898 532318609 /nfs/dbraw/zinc/31/86/09/532318609.db2.gz BPHNCTMCZCODTD-XMMPIXPASA-N -1 3 392.455 1.207 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900213 598896264 /nfs/dbraw/zinc/89/62/64/598896264.db2.gz RFBSXLVSURCUDB-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900213 598896266 /nfs/dbraw/zinc/89/62/66/598896266.db2.gz RFBSXLVSURCUDB-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821666045 599083417 /nfs/dbraw/zinc/08/34/17/599083417.db2.gz UMWFOSXLYHRIFT-JTQLQIEISA-N -1 3 383.368 1.713 20 5 GDBDHM COC(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821666045 599083419 /nfs/dbraw/zinc/08/34/19/599083419.db2.gz UMWFOSXLYHRIFT-JTQLQIEISA-N -1 3 383.368 1.713 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823656802 607305015 /nfs/dbraw/zinc/30/50/15/607305015.db2.gz JBBCJZWWQMEKHP-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823656802 607305016 /nfs/dbraw/zinc/30/50/16/607305016.db2.gz JBBCJZWWQMEKHP-UHFFFAOYSA-N -1 3 395.148 1.887 20 5 GDBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737896727 598416364 /nfs/dbraw/zinc/41/63/64/598416364.db2.gz XRSWHMXHHAUPAO-UHFFFAOYSA-N -1 3 382.384 1.415 20 5 GDBDHM O=[N+]([O-])c1cnc(Nc2cccc(CN3CCOCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738374977 598501190 /nfs/dbraw/zinc/50/11/90/598501190.db2.gz WFOUWTZALHQHCM-UHFFFAOYSA-N -1 3 382.384 1.746 20 5 GDBDHM O=[N+]([O-])c1cnc(Nc2cccc(CN3CCOCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738374977 598501191 /nfs/dbraw/zinc/50/11/91/598501191.db2.gz WFOUWTZALHQHCM-UHFFFAOYSA-N -1 3 382.384 1.746 20 5 GDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000736819201 598589158 /nfs/dbraw/zinc/58/91/58/598589158.db2.gz AKXLOPQOSUWOLF-UHFFFAOYSA-N -1 3 396.363 1.625 20 5 GDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000736819201 598589160 /nfs/dbraw/zinc/58/91/60/598589160.db2.gz AKXLOPQOSUWOLF-UHFFFAOYSA-N -1 3 396.363 1.625 20 5 GDBDHM Cc1cccc(NC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737398596 598671496 /nfs/dbraw/zinc/67/14/96/598671496.db2.gz CGFYPPUFUIXQAT-GFCCVEGCSA-N -1 3 381.400 1.812 20 5 GDBDHM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)oc1C ZINC000737476124 598809838 /nfs/dbraw/zinc/80/98/38/598809838.db2.gz CVMNVUFDQLHZNG-UHFFFAOYSA-N -1 3 384.400 1.702 20 5 GDBDHM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)oc1C ZINC000737476124 598809840 /nfs/dbraw/zinc/80/98/40/598809840.db2.gz CVMNVUFDQLHZNG-UHFFFAOYSA-N -1 3 384.400 1.702 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4nccn4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367502 599295547 /nfs/dbraw/zinc/29/55/47/599295547.db2.gz STLXGFGHTLBACU-JTQLQIEISA-N -1 3 377.368 1.947 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4nccn4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367502 599295550 /nfs/dbraw/zinc/29/55/50/599295550.db2.gz STLXGFGHTLBACU-JTQLQIEISA-N -1 3 377.368 1.947 20 5 GDBDHM C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820438835 599324270 /nfs/dbraw/zinc/32/42/70/599324270.db2.gz XRCZVEQJBCVKLH-NSHDSACASA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438835 599324273 /nfs/dbraw/zinc/32/42/73/599324273.db2.gz XRCZVEQJBCVKLH-NSHDSACASA-N -1 3 388.409 1.956 20 5 GDBDHM C[C@H](O)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736145052 599348762 /nfs/dbraw/zinc/34/87/62/599348762.db2.gz ALWVFBHBSOHHHM-JTQLQIEISA-N -1 3 384.352 1.678 20 5 GDBDHM C[C@H](O)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736145052 599348763 /nfs/dbraw/zinc/34/87/63/599348763.db2.gz ALWVFBHBSOHHHM-JTQLQIEISA-N -1 3 384.352 1.678 20 5 GDBDHM O=[N+]([O-])c1ccc(Sc2nnnn2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823645531 599353542 /nfs/dbraw/zinc/35/35/42/599353542.db2.gz SYTROJGTTNFHER-UHFFFAOYSA-N -1 3 381.381 1.961 20 5 GDBDHM O=[N+]([O-])c1ccc(Sc2nnnn2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823645531 599353544 /nfs/dbraw/zinc/35/35/44/599353544.db2.gz SYTROJGTTNFHER-UHFFFAOYSA-N -1 3 381.381 1.961 20 5 GDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823645202 599357269 /nfs/dbraw/zinc/35/72/69/599357269.db2.gz PJAHKOIPWOLATP-UHFFFAOYSA-N -1 3 390.381 1.132 20 5 GDBDHM CCOC(=O)c1ccnc(NCCNc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC000736602080 599520423 /nfs/dbraw/zinc/52/04/23/599520423.db2.gz FLVLKAVVVKZMFL-UHFFFAOYSA-N -1 3 399.371 1.266 20 5 GDBDHM CCOC(=O)c1ccnc(NCCNc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC000736602080 599520425 /nfs/dbraw/zinc/52/04/25/599520425.db2.gz FLVLKAVVVKZMFL-UHFFFAOYSA-N -1 3 399.371 1.266 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822684607 599651471 /nfs/dbraw/zinc/65/14/71/599651471.db2.gz DRFHBAYVPZSMJA-UHFFFAOYSA-N -1 3 396.323 1.520 20 5 GDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822684607 599651472 /nfs/dbraw/zinc/65/14/72/599651472.db2.gz DRFHBAYVPZSMJA-UHFFFAOYSA-N -1 3 396.323 1.520 20 5 GDBDHM Cc1c(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cccc1[N+](=O)[O-] ZINC000826236509 607431958 /nfs/dbraw/zinc/43/19/58/607431958.db2.gz PFQRIXIQAFVOBJ-UHFFFAOYSA-N -1 3 386.397 1.567 20 5 GDBDHM Cc1c(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cccc1[N+](=O)[O-] ZINC000826236509 607431959 /nfs/dbraw/zinc/43/19/59/607431959.db2.gz PFQRIXIQAFVOBJ-UHFFFAOYSA-N -1 3 386.397 1.567 20 5 GDBDHM Cn1c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000833038665 601734956 /nfs/dbraw/zinc/73/49/56/601734956.db2.gz BGWKSGSQBWJPQU-LJQANCHMSA-N -1 3 386.408 1.783 20 5 GDBDHM CCN(CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829671532 602316809 /nfs/dbraw/zinc/31/68/09/602316809.db2.gz DPZFCAIMCALAPN-UHFFFAOYSA-N -1 3 378.429 1.592 20 5 GDBDHM COc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826199766 607566947 /nfs/dbraw/zinc/56/69/47/607566947.db2.gz LGNKOVOLJSEUQX-UHFFFAOYSA-N -1 3 397.395 1.825 20 5 GDBDHM COc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826199766 607566948 /nfs/dbraw/zinc/56/69/48/607566948.db2.gz LGNKOVOLJSEUQX-UHFFFAOYSA-N -1 3 397.395 1.825 20 5 GDBDHM CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000825880239 607660586 /nfs/dbraw/zinc/66/05/86/607660586.db2.gz ZZCJWFPVGGIGIX-UHFFFAOYSA-N -1 3 390.381 1.609 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCc3nncn3C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645484 606125287 /nfs/dbraw/zinc/12/52/87/606125287.db2.gz RCCOKBDJWWONAH-UHFFFAOYSA-N -1 3 378.356 1.862 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NCc3nncn3C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645484 606125288 /nfs/dbraw/zinc/12/52/88/606125288.db2.gz RCCOKBDJWWONAH-UHFFFAOYSA-N -1 3 378.356 1.862 20 5 GDBDHM COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821644760 606302024 /nfs/dbraw/zinc/30/20/24/606302024.db2.gz IMVLCTCIYRMBIE-MRXNPFEDSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821644760 606302025 /nfs/dbraw/zinc/30/20/25/606302025.db2.gz IMVLCTCIYRMBIE-MRXNPFEDSA-N -1 3 398.379 1.787 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648273 606364598 /nfs/dbraw/zinc/36/45/98/606364598.db2.gz FXNNNELKPZDPSN-GFCCVEGCSA-N -1 3 389.349 1.908 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648273 606364600 /nfs/dbraw/zinc/36/46/00/606364600.db2.gz FXNNNELKPZDPSN-GFCCVEGCSA-N -1 3 389.349 1.908 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821650072 606371943 /nfs/dbraw/zinc/37/19/43/606371943.db2.gz JSLMLRVXBURCJP-GFCCVEGCSA-N -1 3 389.349 1.908 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821650072 606371945 /nfs/dbraw/zinc/37/19/45/606371945.db2.gz JSLMLRVXBURCJP-GFCCVEGCSA-N -1 3 389.349 1.908 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@@H]([C@H]4CCCO4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644702 606802758 /nfs/dbraw/zinc/80/27/58/606802758.db2.gz KPTYFWBGBUZVCW-HZPDHXFCSA-N -1 3 397.395 1.707 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@@H]([C@H]4CCCO4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644702 606802760 /nfs/dbraw/zinc/80/27/60/606802760.db2.gz KPTYFWBGBUZVCW-HZPDHXFCSA-N -1 3 397.395 1.707 20 5 GDBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000823650835 606876982 /nfs/dbraw/zinc/87/69/82/606876982.db2.gz BXPMQWDJWAZLHF-VIFPVBQESA-N -1 3 387.791 1.909 20 5 GDBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000823650835 606876984 /nfs/dbraw/zinc/87/69/84/606876984.db2.gz BXPMQWDJWAZLHF-VIFPVBQESA-N -1 3 387.791 1.909 20 5 GDBDHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000820628820 606905000 /nfs/dbraw/zinc/90/50/00/606905000.db2.gz OPGZFCUMXNFGFN-SFHVURJKSA-N -1 3 393.363 1.742 20 5 GDBDHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000820628820 606905001 /nfs/dbraw/zinc/90/50/01/606905001.db2.gz OPGZFCUMXNFGFN-SFHVURJKSA-N -1 3 393.363 1.742 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000823640221 606963140 /nfs/dbraw/zinc/96/31/40/606963140.db2.gz YANADDCOXNQFQO-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000823640221 606963141 /nfs/dbraw/zinc/96/31/41/606963141.db2.gz YANADDCOXNQFQO-UHFFFAOYSA-N -1 3 384.375 1.631 20 5 GDBDHM Cc1nn(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501114 606984743 /nfs/dbraw/zinc/98/47/43/606984743.db2.gz WNWJLZLJZITROT-UHFFFAOYSA-N -1 3 392.379 1.749 20 5 GDBDHM Cc1nn(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501114 606984744 /nfs/dbraw/zinc/98/47/44/606984744.db2.gz WNWJLZLJZITROT-UHFFFAOYSA-N -1 3 392.379 1.749 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822271265 607001138 /nfs/dbraw/zinc/00/11/38/607001138.db2.gz UGLDABIFHYDGIY-UHFFFAOYSA-N -1 3 388.409 1.870 20 5 GDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822270934 607004103 /nfs/dbraw/zinc/00/41/03/607004103.db2.gz DXGRFAGEZXEHPG-UHFFFAOYSA-N -1 3 388.409 1.870 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821727326 607047922 /nfs/dbraw/zinc/04/79/22/607047922.db2.gz HSXYOPSGORSMSJ-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM COc1cc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821727326 607047923 /nfs/dbraw/zinc/04/79/23/607047923.db2.gz HSXYOPSGORSMSJ-UHFFFAOYSA-N -1 3 377.338 1.551 20 5 GDBDHM CN(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000825999220 607848430 /nfs/dbraw/zinc/84/84/30/607848430.db2.gz ROEPCQMVTYZVJF-UHFFFAOYSA-N -1 3 385.315 1.916 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826411292 607943452 /nfs/dbraw/zinc/94/34/52/607943452.db2.gz SIIFIOGNCOFJOR-UHFFFAOYSA-N -1 3 393.407 1.449 20 5 GDBDHM O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826411292 607943453 /nfs/dbraw/zinc/94/34/53/607943453.db2.gz SIIFIOGNCOFJOR-UHFFFAOYSA-N -1 3 393.407 1.449 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826439686 607979823 /nfs/dbraw/zinc/97/98/23/607979823.db2.gz FUMLHSXPXCKMBL-UHFFFAOYSA-N -1 3 385.359 1.956 20 5 GDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826439686 607979824 /nfs/dbraw/zinc/97/98/24/607979824.db2.gz FUMLHSXPXCKMBL-UHFFFAOYSA-N -1 3 385.359 1.956 20 5 GDBDHM Cn1c(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826355158 608085802 /nfs/dbraw/zinc/08/58/02/608085802.db2.gz MTIVNTMVQJCJRJ-AWEZNQCLSA-N -1 3 383.368 1.327 20 5 GDBDHM Cn1c(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826355158 608085803 /nfs/dbraw/zinc/08/58/03/608085803.db2.gz MTIVNTMVQJCJRJ-AWEZNQCLSA-N -1 3 383.368 1.327 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccccc1-c1nnn[n-]1 ZINC000826502177 608125469 /nfs/dbraw/zinc/12/54/69/608125469.db2.gz XVZMXETWXAHKBT-UHFFFAOYSA-N -1 3 395.335 1.671 20 5 GDBDHM O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccccc1-c1nn[n-]n1 ZINC000826502177 608125470 /nfs/dbraw/zinc/12/54/70/608125470.db2.gz XVZMXETWXAHKBT-UHFFFAOYSA-N -1 3 395.335 1.671 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000824108989 608151850 /nfs/dbraw/zinc/15/18/50/608151850.db2.gz MBOWCYGFVWPZIY-GFCCVEGCSA-N -1 3 390.404 1.885 20 5 GDBDHM CC(C)(C)OC(=O)N[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000824108989 608151851 /nfs/dbraw/zinc/15/18/51/608151851.db2.gz MBOWCYGFVWPZIY-GFCCVEGCSA-N -1 3 390.404 1.885 20 5 GDBDHM CC(C)(C)OC(=O)N[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000824108990 608152199 /nfs/dbraw/zinc/15/21/99/608152199.db2.gz MBOWCYGFVWPZIY-LBPRGKRZSA-N -1 3 390.404 1.885 20 5 GDBDHM CC(C)(C)OC(=O)N[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000824108990 608152201 /nfs/dbraw/zinc/15/22/01/608152201.db2.gz MBOWCYGFVWPZIY-LBPRGKRZSA-N -1 3 390.404 1.885 20 5 GDBDHM O=C(CCN1CCCC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826407231 608161767 /nfs/dbraw/zinc/16/17/67/608161767.db2.gz GBKGOLRZHRSDBU-UHFFFAOYSA-N -1 3 379.764 1.379 20 5 GDBDHM O=C(CCN1CCCC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826407231 608161769 /nfs/dbraw/zinc/16/17/69/608161769.db2.gz GBKGOLRZHRSDBU-UHFFFAOYSA-N -1 3 379.764 1.379 20 5 GDBDHM Cn1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1=O ZINC000826362974 608162000 /nfs/dbraw/zinc/16/20/00/608162000.db2.gz QIZYEXJDTPCKGQ-UHFFFAOYSA-N -1 3 375.732 1.379 20 5 GDBDHM Cn1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1=O ZINC000826362974 608162001 /nfs/dbraw/zinc/16/20/01/608162001.db2.gz QIZYEXJDTPCKGQ-UHFFFAOYSA-N -1 3 375.732 1.379 20 5 GDBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000825792970 608177069 /nfs/dbraw/zinc/17/70/69/608177069.db2.gz HJMUZTODUFISMC-UHFFFAOYSA-N -1 3 381.356 1.735 20 5 GDBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000825792970 608177071 /nfs/dbraw/zinc/17/70/71/608177071.db2.gz HJMUZTODUFISMC-UHFFFAOYSA-N -1 3 381.356 1.735 20 5 GDBDHM Cc1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1F ZINC000826272449 608244511 /nfs/dbraw/zinc/24/45/11/608244511.db2.gz KFHMFULLIRFRRH-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM Cc1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1F ZINC000826272449 608244512 /nfs/dbraw/zinc/24/45/12/608244512.db2.gz KFHMFULLIRFRRH-UHFFFAOYSA-N -1 3 392.372 1.701 20 5 GDBDHM CN(CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000825897524 608274494 /nfs/dbraw/zinc/27/44/94/608274494.db2.gz IOWJMNLLHFULHJ-UHFFFAOYSA-N -1 3 398.383 1.261 20 5 GDBDHM CN(CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000825897524 608274495 /nfs/dbraw/zinc/27/44/95/608274495.db2.gz IOWJMNLLHFULHJ-UHFFFAOYSA-N -1 3 398.383 1.261 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824469950 608471123 /nfs/dbraw/zinc/47/11/23/608471123.db2.gz DNKMYRWBSLMVRI-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824469950 608471124 /nfs/dbraw/zinc/47/11/24/608471124.db2.gz DNKMYRWBSLMVRI-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824473250 608471286 /nfs/dbraw/zinc/47/12/86/608471286.db2.gz YZRKSCLXQUCHGN-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824473250 608471287 /nfs/dbraw/zinc/47/12/87/608471287.db2.gz YZRKSCLXQUCHGN-SECBINFHSA-N -1 3 399.342 1.730 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826327638 608480233 /nfs/dbraw/zinc/48/02/33/608480233.db2.gz OSSRAUBIPQGFLE-UHFFFAOYSA-N -1 3 394.395 1.596 20 5 GDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826327638 608480235 /nfs/dbraw/zinc/48/02/35/608480235.db2.gz OSSRAUBIPQGFLE-UHFFFAOYSA-N -1 3 394.395 1.596 20 5 GDBDHM Cc1nn(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1[N+](=O)[O-] ZINC000826334651 609533255 /nfs/dbraw/zinc/53/32/55/609533255.db2.gz DDAWMEJEOGIZPV-UHFFFAOYSA-N -1 3 383.416 1.450 20 5 GDBDHM Cc1nn(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000826334651 609533257 /nfs/dbraw/zinc/53/32/57/609533257.db2.gz DDAWMEJEOGIZPV-UHFFFAOYSA-N -1 3 383.416 1.450 20 5 GDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCn2ccnc2)c1 ZINC000172981308 644886397 /nfs/dbraw/zinc/88/63/97/644886397.db2.gz BWEYNCKKYGHTOH-UHFFFAOYSA-N -1 3 375.204 1.532 20 5 GDBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000478911875 647820962 /nfs/dbraw/zinc/82/09/62/647820962.db2.gz VEMVZDIYUVTFOX-UHFFFAOYSA-N -1 3 379.320 1.773 20 5 GDBDHM O=c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000484022858 647910512 /nfs/dbraw/zinc/91/05/12/647910512.db2.gz XYZJUGVZSAZOPN-UHFFFAOYSA-N -1 3 375.160 1.654 20 5 GDBDHM COC(=O)Cc1nc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[n-]1 ZINC000511837919 648388121 /nfs/dbraw/zinc/38/81/21/648388121.db2.gz JYRUMKOSUABCHU-UHFFFAOYSA-N -1 3 398.173 1.752 20 5 GDBDHM COC(=O)c1csc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000518318433 648593266 /nfs/dbraw/zinc/59/32/66/648593266.db2.gz XLIOLTQSQKGRNA-UHFFFAOYSA-N -1 3 386.407 1.800 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2=O)c1 ZINC000779904507 654773179 /nfs/dbraw/zinc/77/31/79/654773179.db2.gz FOAIZIGEYIRFMT-VIFPVBQESA-N -1 3 389.817 1.371 20 5 GDBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751377689 654885820 /nfs/dbraw/zinc/88/58/20/654885820.db2.gz VSQXTQQQKNONAO-LLVKDONJSA-N -1 3 383.220 1.033 20 5 GDBDHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831778706 654997073 /nfs/dbraw/zinc/99/70/73/654997073.db2.gz UFHMRFMUMCIFOI-GFCCVEGCSA-N -1 3 397.247 1.423 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ncnn1C ZINC000788925858 655008933 /nfs/dbraw/zinc/00/89/33/655008933.db2.gz KYLBTYPRVZEKOW-ZETCQYMHSA-N -1 3 390.219 1.525 20 5 GDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c(Cl)c1 ZINC000759168721 655078849 /nfs/dbraw/zinc/07/88/49/655078849.db2.gz GVUDRGKSLGNFSK-UHFFFAOYSA-N -1 3 386.773 1.735 20 5 GDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)c(Cl)cc1Cl ZINC000809829214 655139514 /nfs/dbraw/zinc/13/95/14/655139514.db2.gz YFCDZLRCNBMAJX-SECBINFHSA-N -1 3 395.268 1.180 20 5 GDBDHM Cn1cncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000809850702 655142604 /nfs/dbraw/zinc/14/26/04/655142604.db2.gz GDZFWMKCVVHNMP-UHFFFAOYSA-N -1 3 375.204 1.569 20 5 GDBDHM Cn1nccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000762554101 655169528 /nfs/dbraw/zinc/16/95/28/655169528.db2.gz ATVQOVFTVWZBOZ-UHFFFAOYSA-N -1 3 389.231 1.612 20 5 GDBDHM COC[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000849415100 655530194 /nfs/dbraw/zinc/53/01/94/655530194.db2.gz IRMKKOWCLHWYLZ-SNVBAGLBSA-N -1 3 397.247 1.687 20 5 GDBDHM C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712490 946907336 /nfs/dbraw/zinc/90/73/36/946907336.db2.gz ABQAAJRPYMCTEK-NSHDSACASA-N -1 3 396.363 1.809 20 5 GDBDHM C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712490 946907346 /nfs/dbraw/zinc/90/73/46/946907346.db2.gz ABQAAJRPYMCTEK-NSHDSACASA-N -1 3 396.363 1.809 20 5 GDBDHM CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377106 947169365 /nfs/dbraw/zinc/16/93/65/947169365.db2.gz SXKVMBRNZZNHIL-UHFFFAOYSA-N -1 3 377.752 1.073 20 5 GDBDHM CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377106 947169377 /nfs/dbraw/zinc/16/93/77/947169377.db2.gz SXKVMBRNZZNHIL-UHFFFAOYSA-N -1 3 377.752 1.073 20 5 GDBDHM C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC001575856352 949251486 /nfs/dbraw/zinc/25/14/86/949251486.db2.gz FHMKWABMMDDPEU-MRXNPFEDSA-N -1 3 383.324 1.335 20 5 GDBDHM C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC001575856352 949251504 /nfs/dbraw/zinc/25/15/04/949251504.db2.gz FHMKWABMMDDPEU-MRXNPFEDSA-N -1 3 383.324 1.335 20 5 GDBDHM O=C([O-])c1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001595231119 949350711 /nfs/dbraw/zinc/35/07/11/949350711.db2.gz ZZZURZJRDJFHPC-UHFFFAOYSA-N -1 3 379.394 1.361 20 5 GDBDHM 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ZINC000821619290 607184967 /nfs/dbraw/zinc/18/49/67/607184967.db2.gz QBVOULDUQZCZOY-UHFFFAOYSA-N -1 3 388.409 1.784 20 5 GDBDHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000821619290 607184968 /nfs/dbraw/zinc/18/49/68/607184968.db2.gz QBVOULDUQZCZOY-UHFFFAOYSA-N -1 3 388.409 1.784 20 5 GDBDHM O=[N+]([O-])c1nn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826500627 607868688 /nfs/dbraw/zinc/86/86/88/607868688.db2.gz FYCNMMRXISCLDX-JTQLQIEISA-N -1 3 380.162 1.468 20 5 GDBDHM O=[N+]([O-])c1nn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826500627 607868689 /nfs/dbraw/zinc/86/86/89/607868689.db2.gz FYCNMMRXISCLDX-JTQLQIEISA-N -1 3 380.162 1.468 20 5 GDBDHM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824466810 608124041 /nfs/dbraw/zinc/12/40/41/608124041.db2.gz ZCSBUTMUTGROEK-LLVKDONJSA-N -1 3 392.379 1.985 20 5 GDBDHM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824466810 608124042 /nfs/dbraw/zinc/12/40/42/608124042.db2.gz 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397.453 1.932 20 5 GDBDHM COc1ccc(OCCN2CCC3(CC(C(=O)[O-])=NO3)CC2)c([N+](=O)[O-])c1 ZINC001599605656 993881214 /nfs/dbraw/zinc/88/12/14/993881214.db2.gz CHSZNUCGRHIZAR-UHFFFAOYSA-N -1 3 379.369 1.678 20 5 GDBDHM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163315554 530575121 /nfs/dbraw/zinc/57/51/21/530575121.db2.gz CZCNEJIQJQJXDW-QMMMGPOBSA-N -1 3 379.320 1.572 20 5 GDBDHM CC1(C)COCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000170885577 530591133 /nfs/dbraw/zinc/59/11/33/530591133.db2.gz UHJFEAFQDIARDC-UHFFFAOYSA-N -1 3 377.850 1.637 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000056883045 530720780 /nfs/dbraw/zinc/72/07/80/530720780.db2.gz BLHIKYZUUDNEJC-NSHDSACASA-N -1 3 383.451 1.982 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCN2CCCC2=O)c1 ZINC000182521788 530800885 /nfs/dbraw/zinc/80/08/85/530800885.db2.gz NVNGVHSUACQKFH-UHFFFAOYSA-N -1 3 375.834 1.847 20 5 GDBDHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108400118 530857627 /nfs/dbraw/zinc/85/76/27/530857627.db2.gz OHAWYLPPIRMMCG-NSHDSACASA-N -1 3 377.850 1.637 20 5 GDBDHM CCN1CCN(CC[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000189123615 530908326 /nfs/dbraw/zinc/90/83/26/530908326.db2.gz ZEQFFAYBPXWDAQ-UHFFFAOYSA-N -1 3 390.893 1.472 20 5 GDBDHM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119827088 530931737 /nfs/dbraw/zinc/93/17/37/530931737.db2.gz CMLWVXNFKHIWFY-UHFFFAOYSA-N -1 3 394.247 1.408 20 5 GDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1ncc(Cl)s1 ZINC000472078679 531216971 /nfs/dbraw/zinc/21/69/71/531216971.db2.gz CTASXPBUZULKTL-UHFFFAOYSA-N -1 3 376.847 1.773 20 5 GDBDHM O=C1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000433446542 531224942 /nfs/dbraw/zinc/22/49/42/531224942.db2.gz HGMNNEDFZFDUIC-SECBINFHSA-N -1 3 392.231 1.304 20 5 GDBDHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276913340 531238955 /nfs/dbraw/zinc/23/89/55/531238955.db2.gz NUDAJVZRPWMMAY-JTQLQIEISA-N -1 3 378.248 1.730 20 5 GDBDHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290778257 531255855 /nfs/dbraw/zinc/25/58/55/531255855.db2.gz PFMGFXOQHDYDKP-JTQLQIEISA-N -1 3 394.856 1.302 20 5 GDBDHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290778258 531255941 /nfs/dbraw/zinc/25/59/41/531255941.db2.gz PFMGFXOQHDYDKP-SNVBAGLBSA-N -1 3 394.856 1.302 20 5 GDBDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266145451 531316376 /nfs/dbraw/zinc/31/63/76/531316376.db2.gz MJKPKUGVANUZHK-NSHDSACASA-N -1 3 383.451 1.682 20 5 GDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000480681887 531375500 /nfs/dbraw/zinc/37/55/00/531375500.db2.gz NIMYRVKOHYWSNE-UHFFFAOYSA-N -1 3 390.483 1.705 20 5 GDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ncccc1S(C)(=O)=O ZINC000486839770 531461886 /nfs/dbraw/zinc/46/18/86/531461886.db2.gz NBCNQJUDCRDPPC-UHFFFAOYSA-N -1 3 385.423 1.180 20 5 GDBDHM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280099918 531472417 /nfs/dbraw/zinc/47/24/17/531472417.db2.gz AWCPWZJTQMRYPZ-LLVKDONJSA-N -1 3 375.834 1.785 20 5 GDBDHM COC(=O)[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCOC1 ZINC000268075353 531472463 /nfs/dbraw/zinc/47/24/63/531472463.db2.gz SPGQURNDLDGBQW-ZDUSSCGKSA-N -1 3 378.790 1.167 20 5 GDBDHM CCc1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000280816101 531543701 /nfs/dbraw/zinc/54/37/01/531543701.db2.gz RELNOUHRYQNECU-UHFFFAOYSA-N -1 3 383.451 1.813 20 5 GDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000416493906 531647951 /nfs/dbraw/zinc/64/79/51/531647951.db2.gz IRXFEWOPTXAGLN-ONGXEEELSA-N -1 3 382.341 1.064 20 5 GDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](CO)O1 ZINC000416491775 531645304 /nfs/dbraw/zinc/64/53/04/531645304.db2.gz ZPMUMRIWTGYWJN-ZJUUUORDSA-N -1 3 384.332 1.432 20 5 GDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451658400 531657997 /nfs/dbraw/zinc/65/79/97/531657997.db2.gz CYIPEGWHSUCMMB-GFCCVEGCSA-N -1 3 377.850 1.373 20 5 GDBDHM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416521568 531661075 /nfs/dbraw/zinc/66/10/75/531661075.db2.gz SIHFQAALRKDUKJ-UHFFFAOYSA-N -1 3 394.247 1.550 20 5 GDBDHM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269476161 531677717 /nfs/dbraw/zinc/67/77/17/531677717.db2.gz NFRFGAALAFIUJW-JTQLQIEISA-N -1 3 392.231 1.304 20 5 GDBDHM CCCc1n[nH]c(C(=O)NCC[N-]S(=O)(=O)c2cccs2)c1[N+](=O)[O-] ZINC000269725557 531726457 /nfs/dbraw/zinc/72/64/57/531726457.db2.gz WGMXBLWRUUBALJ-UHFFFAOYSA-N -1 3 387.443 1.040 20 5 GDBDHM CCN(CCSC)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591964811 531745587 /nfs/dbraw/zinc/74/55/87/531745587.db2.gz WXGBMMFLKKARQO-UHFFFAOYSA-N -1 3 390.487 1.268 20 5 GDBDHM C[S@](=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000282639417 531778749 /nfs/dbraw/zinc/77/87/49/531778749.db2.gz TYKLTVRGYSWFCK-QHCPKHFHSA-N -1 3 386.373 1.803 20 5 GDBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000272107494 532077491 /nfs/dbraw/zinc/07/74/91/532077491.db2.gz MVKWDWKVINXMQC-UHFFFAOYSA-N -1 3 399.878 1.164 20 5 GDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(C(N)=O)CCCC2)c1 ZINC000272468329 532100233 /nfs/dbraw/zinc/10/02/33/532100233.db2.gz MOENHZMXUISHFM-UHFFFAOYSA-N -1 3 375.834 1.881 20 5 GDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2 ZINC000274268332 532200149 /nfs/dbraw/zinc/20/01/49/532200149.db2.gz PKBNHMGXYRAKEV-UHFFFAOYSA-N -1 3 384.439 1.427 20 5 GDBDHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000274162705 532190330 /nfs/dbraw/zinc/19/03/30/532190330.db2.gz GUFCPLUPJHZBLG-MRVPVSSYSA-N -1 3 386.304 1.376 20 5 GDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]Cc1cnc(Cl)s1)OCCO2 ZINC000289263056 532320049 /nfs/dbraw/zinc/32/00/49/532320049.db2.gz AIMJCQPWBDCGES-UHFFFAOYSA-N -1 3 391.814 1.954 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896632 598896003 /nfs/dbraw/zinc/89/60/03/598896003.db2.gz AIKBDMWXJGUZIS-CQSZACIVSA-N -1 3 398.335 1.549 20 5 GDBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896632 598896004 /nfs/dbraw/zinc/89/60/04/598896004.db2.gz AIKBDMWXJGUZIS-CQSZACIVSA-N -1 3 398.335 1.549 20 5 GDBDHM Cc1c(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cccc1-c1nnn[n-]1 ZINC000822121815 607257453 /nfs/dbraw/zinc/25/74/53/607257453.db2.gz HEPNINYMEBMDIU-UHFFFAOYSA-N -1 3 397.351 1.863 20 5 GDBDHM Cc1c(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cccc1-c1nn[n-]n1 ZINC000822121815 607257454 /nfs/dbraw/zinc/25/74/54/607257454.db2.gz HEPNINYMEBMDIU-UHFFFAOYSA-N -1 3 397.351 1.863 20 5 GDBDHM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736298950 599039211 /nfs/dbraw/zinc/03/92/11/599039211.db2.gz RISKBLGSGNJDAM-JTQLQIEISA-N -1 3 386.393 1.915 20 5 GDBDHM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736298950 599039214 /nfs/dbraw/zinc/03/92/14/599039214.db2.gz RISKBLGSGNJDAM-JTQLQIEISA-N -1 3 386.393 1.915 20 5 GDBDHM Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737238447 599113568 /nfs/dbraw/zinc/11/35/68/599113568.db2.gz NCVCELPBCYYWOK-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737238447 599113570 /nfs/dbraw/zinc/11/35/70/599113570.db2.gz NCVCELPBCYYWOK-CQSZACIVSA-N -1 3 382.336 1.467 20 5 GDBDHM CN(CC(=O)Nc1cccc(Cl)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821593743 607328512 /nfs/dbraw/zinc/32/85/12/607328512.db2.gz HVLOBWAJPMDCEF-UHFFFAOYSA-N -1 3 388.775 1.898 20 5 GDBDHM CN(CC(=O)Nc1cccc(Cl)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821593743 607328513 /nfs/dbraw/zinc/32/85/13/607328513.db2.gz HVLOBWAJPMDCEF-UHFFFAOYSA-N -1 3 388.775 1.898 20 5 GDBDHM Cc1nc(CN2CCC[C@@H](N(C)c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)no1 ZINC000737476197 598545040 /nfs/dbraw/zinc/54/50/40/598545040.db2.gz FTSJLEAIEOPEOF-CYBMUJFWSA-N -1 3 399.415 1.567 20 5 GDBDHM Cc1nc(CN2CCC[C@@H](N(C)c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)no1 ZINC000737476197 598545041 /nfs/dbraw/zinc/54/50/41/598545041.db2.gz FTSJLEAIEOPEOF-CYBMUJFWSA-N -1 3 399.415 1.567 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000737114509 598558581 /nfs/dbraw/zinc/55/85/81/598558581.db2.gz GNOUPTNKIYDKLL-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000737114509 598558582 /nfs/dbraw/zinc/55/85/82/598558582.db2.gz GNOUPTNKIYDKLL-UHFFFAOYSA-N -1 3 395.328 1.690 20 5 GDBDHM O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737982195 598569481 /nfs/dbraw/zinc/56/94/81/598569481.db2.gz PIPXXAOPWQWTQJ-UHFFFAOYSA-N -1 3 393.319 1.475 20 5 GDBDHM O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737982195 598569483 /nfs/dbraw/zinc/56/94/83/598569483.db2.gz PIPXXAOPWQWTQJ-UHFFFAOYSA-N -1 3 393.319 1.475 20 5 GDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087666 598639321 /nfs/dbraw/zinc/63/93/21/598639321.db2.gz KDAINUPGUAWZAL-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087666 598639322 /nfs/dbraw/zinc/63/93/22/598639322.db2.gz KDAINUPGUAWZAL-UHFFFAOYSA-N -1 3 399.342 1.211 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)nn1 ZINC000737351550 598672412 /nfs/dbraw/zinc/67/24/12/598672412.db2.gz LSIYAKBCASCQIR-CQSZACIVSA-N -1 3 395.427 1.979 20 5 GDBDHM Cc1ccc(N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nn1 ZINC000737351550 598672413 /nfs/dbraw/zinc/67/24/13/598672413.db2.gz LSIYAKBCASCQIR-CQSZACIVSA-N -1 3 395.427 1.979 20 5 GDBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCCNc1ncccc1-c1nnn[n-]1 ZINC000737846446 598736047 /nfs/dbraw/zinc/73/60/47/598736047.db2.gz ABXROZOCIMWFLD-UHFFFAOYSA-N -1 3 398.383 1.627 20 5 GDBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCCNc1ncccc1-c1nn[n-]n1 ZINC000737846446 598736049 /nfs/dbraw/zinc/73/60/49/598736049.db2.gz ABXROZOCIMWFLD-UHFFFAOYSA-N -1 3 398.383 1.627 20 5 GDBDHM Cc1c(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737217970 598779860 /nfs/dbraw/zinc/77/98/60/598779860.db2.gz JBMIAPQJMVYZNE-UHFFFAOYSA-N -1 3 381.352 1.452 20 5 GDBDHM Cc1c(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217970 598779861 /nfs/dbraw/zinc/77/98/61/598779861.db2.gz JBMIAPQJMVYZNE-UHFFFAOYSA-N -1 3 381.352 1.452 20 5 GDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000823215398 599424419 /nfs/dbraw/zinc/42/44/19/599424419.db2.gz MACYZGHXSVNHPZ-UHFFFAOYSA-N -1 3 397.395 1.696 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3cccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645053 607383087 /nfs/dbraw/zinc/38/30/87/607383087.db2.gz MUJATYPWKYDUSM-OAHLLOKOSA-N -1 3 378.352 1.864 20 5 GDBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645053 607383088 /nfs/dbraw/zinc/38/30/88/607383088.db2.gz MUJATYPWKYDUSM-OAHLLOKOSA-N -1 3 378.352 1.864 20 5 GDBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738177644 599579097 /nfs/dbraw/zinc/57/90/97/599579097.db2.gz LDTYTNJBMWHMJC-UHFFFAOYSA-N -1 3 397.399 1.280 20 5 GDBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738177644 599579100 /nfs/dbraw/zinc/57/91/00/599579100.db2.gz LDTYTNJBMWHMJC-UHFFFAOYSA-N -1 3 397.399 1.280 20 5 GDBDHM Cn1ccnc1[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000822699047 607387842 /nfs/dbraw/zinc/38/78/42/607387842.db2.gz MMCOLEFKIBXGND-OAHLLOKOSA-N -1 3 384.400 1.458 20 5 GDBDHM Cn1ccnc1[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000822699047 607387844 /nfs/dbraw/zinc/38/78/44/607387844.db2.gz MMCOLEFKIBXGND-OAHLLOKOSA-N -1 3 384.400 1.458 20 5 GDBDHM CC(C)Oc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nnn[n-]1 ZINC000820164002 607406784 /nfs/dbraw/zinc/40/67/84/607406784.db2.gz AAAVSLWUOPRNQX-UHFFFAOYSA-N -1 3 399.367 1.363 20 5 GDBDHM CC(C)Oc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nn[n-]n1 ZINC000820164002 607406785 /nfs/dbraw/zinc/40/67/85/607406785.db2.gz AAAVSLWUOPRNQX-UHFFFAOYSA-N -1 3 399.367 1.363 20 5 GDBDHM CCN1CCN(C[C@@H](C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737115583 600592886 /nfs/dbraw/zinc/59/28/86/600592886.db2.gz LPANLTYDQVQFPS-ZDUSSCGKSA-N -1 3 378.429 1.296 20 5 GDBDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000826183365 607513729 /nfs/dbraw/zinc/51/37/29/607513729.db2.gz NLHFKWMLGBATKY-UHFFFAOYSA-N -1 3 396.411 1.501 20 5 GDBDHM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1-c1nnn[n-]1 ZINC000826304781 607589840 /nfs/dbraw/zinc/58/98/40/607589840.db2.gz XWCNEWIKGNVWKF-UHFFFAOYSA-N -1 3 379.329 1.990 20 5 GDBDHM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738774912 603137288 /nfs/dbraw/zinc/13/72/88/603137288.db2.gz YTVGIHFQZBJFNL-MRXNPFEDSA-N -1 3 382.373 1.534 20 5 GDBDHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000823154555 606112431 /nfs/dbraw/zinc/11/24/31/606112431.db2.gz GGNHNGKSFLZVHV-UHFFFAOYSA-N -1 3 382.384 1.502 20 5 GDBDHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000823154555 606112433 /nfs/dbraw/zinc/11/24/33/606112433.db2.gz GGNHNGKSFLZVHV-UHFFFAOYSA-N -1 3 382.384 1.502 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc(-c2nnn[n-]2)c1 ZINC000821648321 606362387 /nfs/dbraw/zinc/36/23/87/606362387.db2.gz HAWXDVCTERPCPK-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc(-c2nn[n-]n2)c1 ZINC000821648321 606362389 /nfs/dbraw/zinc/36/23/89/606362389.db2.gz HAWXDVCTERPCPK-AWEZNQCLSA-N -1 3 398.335 1.428 20 5 GDBDHM 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