smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000020003031 539671658 /nfs/dbraw/zinc/67/16/58/539671658.db2.gz RUMUQDHUBRQVKB-LBPRGKRZSA-N -1 3 373.394 2.215 20 5 FEBDHM Cc1ccc(F)c(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c1 ZINC000032407125 539937437 /nfs/dbraw/zinc/93/74/37/539937437.db2.gz GWUKDTLXDKNARJ-UHFFFAOYSA-N -1 3 353.375 2.433 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000032406018 539937647 /nfs/dbraw/zinc/93/76/47/539937647.db2.gz AWHRNMRJZPMWLB-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000042986502 540084890 /nfs/dbraw/zinc/08/48/90/540084890.db2.gz QCIFPUXSQLJECW-UHFFFAOYSA-N -1 3 366.395 2.351 20 5 FEBDHM COc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c([O-])c1 ZINC000044614660 540133315 /nfs/dbraw/zinc/13/33/15/540133315.db2.gz DERZMBNJTYMPJE-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000047910171 540333917 /nfs/dbraw/zinc/33/39/17/540333917.db2.gz KNOGAJWOGIJSAC-SNVBAGLBSA-N -1 3 369.424 2.270 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCc1ccco1 ZINC000052782451 540489310 /nfs/dbraw/zinc/48/93/10/540489310.db2.gz AMSJENLPPUYKIB-NSHDSACASA-N -1 3 354.384 2.496 20 5 FEBDHM C[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)NC(=O)[N-]C1=O ZINC000054774041 540608797 /nfs/dbraw/zinc/60/87/97/540608797.db2.gz KZBBXXXZJVEGOV-KRWDZBQOSA-N -1 3 372.312 2.041 20 5 FEBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000064951648 541221610 /nfs/dbraw/zinc/22/16/10/541221610.db2.gz UOCYPMWMUVLTJK-UHFFFAOYSA-N -1 3 366.395 2.481 20 5 FEBDHM CCOC(=O)c1csc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000067297555 541442471 /nfs/dbraw/zinc/44/24/71/541442471.db2.gz JGHBLKZOKITAJR-UHFFFAOYSA-N -1 3 351.340 2.489 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000068195305 541561195 /nfs/dbraw/zinc/56/11/95/541561195.db2.gz DZNSLXBVYMFSGQ-JTQLQIEISA-N -1 3 367.358 2.039 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(CC(=O)OCC)cs2)c1[N+](=O)[O-] ZINC000069293450 541675522 /nfs/dbraw/zinc/67/55/22/541675522.db2.gz HORXJQCXDIGMPV-UHFFFAOYSA-N -1 3 367.387 2.085 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000104753016 543142527 /nfs/dbraw/zinc/14/25/27/543142527.db2.gz NUTMZRUOBBDBGG-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000108404743 543289035 /nfs/dbraw/zinc/28/90/35/543289035.db2.gz SOVZTOAQOYKFGS-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121682726 543698319 /nfs/dbraw/zinc/69/83/19/543698319.db2.gz QBTOGONCUHLGTR-CYBMUJFWSA-N -1 3 362.411 2.324 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCN(C)CC(F)(F)F ZINC000119966264 543674281 /nfs/dbraw/zinc/67/42/81/543674281.db2.gz INRQRFIJMWOIAB-UHFFFAOYSA-N -1 3 369.365 2.066 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000124057548 543798670 /nfs/dbraw/zinc/79/86/70/543798670.db2.gz WYXCQZYGSYXCBA-VHSXEESVSA-N -1 3 359.835 2.152 20 5 FEBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])nc12 ZINC000128800807 544074002 /nfs/dbraw/zinc/07/40/02/544074002.db2.gz ZSUKZXOZVWHTLV-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000129827356 544128636 /nfs/dbraw/zinc/12/86/36/544128636.db2.gz LRBSOFOLZIEADU-UHFFFAOYSA-N -1 3 374.372 2.229 20 5 FEBDHM COc1ccc([O-])c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000130316734 544146393 /nfs/dbraw/zinc/14/63/93/544146393.db2.gz QAQCDNBWEBLONE-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150838065 544477242 /nfs/dbraw/zinc/47/72/42/544477242.db2.gz OBVJQCCHMUTUEZ-UHFFFAOYSA-N -1 3 369.399 2.195 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1C ZINC000153336417 544763093 /nfs/dbraw/zinc/76/30/93/544763093.db2.gz ABBJLRNHBPOUNX-GLQYFDAESA-N -1 3 354.428 2.303 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000185482385 327918671 /nfs/dbraw/zinc/91/86/71/327918671.db2.gz BCPPYYYDFKDZGZ-AWEZNQCLSA-N -1 3 362.423 2.364 20 5 FEBDHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186974208 327994691 /nfs/dbraw/zinc/99/46/91/327994691.db2.gz XURYYOUVETZOJS-UHFFFAOYSA-N -1 3 374.372 2.229 20 5 FEBDHM Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000047745753 324643297 /nfs/dbraw/zinc/64/32/97/324643297.db2.gz ASKVSPUCODNNSK-ZDUSSCGKSA-N -1 3 359.386 2.040 20 5 FEBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000085587386 325256700 /nfs/dbraw/zinc/25/67/00/325256700.db2.gz HTZPIHJUTBRQPH-UHFFFAOYSA-N -1 3 355.148 2.207 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)cc1C ZINC000116902794 326041550 /nfs/dbraw/zinc/04/15/50/326041550.db2.gz UIJPYJKMUFAWCZ-JOCHJYFZSA-N -1 3 362.473 2.037 20 5 FEBDHM Cn1ccnc1-c1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000119327784 326149976 /nfs/dbraw/zinc/14/99/76/326149976.db2.gz JZEZZMOTCGCKFJ-UHFFFAOYSA-N -1 3 355.358 2.159 20 5 FEBDHM Cn1ccnc1-c1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])[n-]n1 ZINC000119327784 326149979 /nfs/dbraw/zinc/14/99/79/326149979.db2.gz JZEZZMOTCGCKFJ-UHFFFAOYSA-N -1 3 355.358 2.159 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000125697161 326476352 /nfs/dbraw/zinc/47/63/52/326476352.db2.gz LXPVQLXDNZDQEX-IINYFYTJSA-N -1 3 370.452 2.235 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(N(C)C)c1 ZINC000133526526 326610453 /nfs/dbraw/zinc/61/04/53/326610453.db2.gz FPYYHOBJYDNCOY-UHFFFAOYSA-N -1 3 365.411 2.148 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC000173222693 327242538 /nfs/dbraw/zinc/24/25/38/327242538.db2.gz ZJVWFLPZOYETSB-CYBMUJFWSA-N -1 3 351.384 2.428 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000266150537 329195006 /nfs/dbraw/zinc/19/50/06/329195006.db2.gz FOOPKFBPMFIOIP-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272427935 329780455 /nfs/dbraw/zinc/78/04/55/329780455.db2.gz OKCMBTKOKJMQMD-UHFFFAOYSA-N -1 3 350.356 2.306 20 5 FEBDHM CSC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000276567950 330165265 /nfs/dbraw/zinc/16/52/65/330165265.db2.gz AJFGKOQBCMJLNB-UHFFFAOYSA-N -1 3 374.484 2.402 20 5 FEBDHM CC(C)Cn1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000157267507 545722153 /nfs/dbraw/zinc/72/21/53/545722153.db2.gz GHURIWBYGHRWRG-UHFFFAOYSA-N -1 3 352.416 2.432 20 5 FEBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000159874309 545988605 /nfs/dbraw/zinc/98/86/05/545988605.db2.gz PQLXBISLFKUBLU-MRVPVSSYSA-N -1 3 357.363 2.248 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000479136933 561182445 /nfs/dbraw/zinc/18/24/45/561182445.db2.gz TXPPZBINDURYGL-LBPRGKRZSA-N -1 3 370.349 2.457 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000176916342 546508217 /nfs/dbraw/zinc/50/82/17/546508217.db2.gz IFMJFNQONNOJRV-UHFFFAOYSA-N -1 3 373.431 2.206 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000184050204 547760958 /nfs/dbraw/zinc/76/09/58/547760958.db2.gz WFRBLZUZJCEIKO-QMMMGPOBSA-N -1 3 350.306 2.376 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[n-]n1 ZINC000184050204 547760962 /nfs/dbraw/zinc/76/09/62/547760962.db2.gz WFRBLZUZJCEIKO-QMMMGPOBSA-N -1 3 350.306 2.376 20 5 FEBDHM COc1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000486689153 561354378 /nfs/dbraw/zinc/35/43/78/561354378.db2.gz OJCZMUXJQKWJJB-VIFPVBQESA-N -1 3 350.343 2.460 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000486686740 561354502 /nfs/dbraw/zinc/35/45/02/561354502.db2.gz YSBBATPTSZZDLO-VIFPVBQESA-N -1 3 350.343 2.460 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249113879 549554980 /nfs/dbraw/zinc/55/49/80/549554980.db2.gz AZCKUXSTDJINEG-OLZOCXBDSA-N -1 3 371.459 2.002 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000249709098 549617139 /nfs/dbraw/zinc/61/71/39/549617139.db2.gz SJECJCAAXNQLJZ-NWDGAFQWSA-N -1 3 359.423 2.133 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000490557532 561435149 /nfs/dbraw/zinc/43/51/49/561435149.db2.gz QAPWXTHJPOBPBM-UHFFFAOYSA-N -1 3 362.379 2.134 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000491284364 561444400 /nfs/dbraw/zinc/44/44/00/561444400.db2.gz PJBUFSHCVOWYQI-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491586748 561446773 /nfs/dbraw/zinc/44/67/73/561446773.db2.gz QNMGXFLCMXJAEC-JTQLQIEISA-N -1 3 364.395 2.226 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])nc1C(C)(C)C ZINC000271407448 550373062 /nfs/dbraw/zinc/37/30/62/550373062.db2.gz NRFNQGYCBADTNK-UHFFFAOYSA-N -1 3 367.387 2.121 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273590105 550504381 /nfs/dbraw/zinc/50/43/81/550504381.db2.gz ISGWRBSVGCOVAE-ZDUSSCGKSA-N -1 3 354.384 2.385 20 5 FEBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000276910827 550610049 /nfs/dbraw/zinc/61/00/49/550610049.db2.gz JYGBJSHENYGXEU-RKDXNWHRSA-N -1 3 371.394 2.405 20 5 FEBDHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000276910827 550610051 /nfs/dbraw/zinc/61/00/51/550610051.db2.gz JYGBJSHENYGXEU-RKDXNWHRSA-N -1 3 371.394 2.405 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000281164470 551069792 /nfs/dbraw/zinc/06/97/92/551069792.db2.gz LWTLRIWUYRNYEM-CQSZACIVSA-N -1 3 358.416 2.115 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000282316095 551211151 /nfs/dbraw/zinc/21/11/51/551211151.db2.gz NBTSMMROAQKCMP-OAHLLOKOSA-N -1 3 370.427 2.231 20 5 FEBDHM COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000285987684 551835311 /nfs/dbraw/zinc/83/53/11/551835311.db2.gz IBKXZSUJEXZJTB-HNNXBMFYSA-N -1 3 359.382 2.342 20 5 FEBDHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000286529192 551896787 /nfs/dbraw/zinc/89/67/87/551896787.db2.gz SQBRUSKTKSORHF-LBPRGKRZSA-N -1 3 353.329 2.329 20 5 FEBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294105222 552882311 /nfs/dbraw/zinc/88/23/11/552882311.db2.gz JLTWTLNAGICNGY-UHFFFAOYSA-N -1 3 374.382 2.469 20 5 FEBDHM CN(C)CCn1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000301670429 553670567 /nfs/dbraw/zinc/67/05/67/553670567.db2.gz FEQAKCXHLQNIMP-UHFFFAOYSA-N -1 3 355.196 2.254 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](CO)C1 ZINC000323510477 553770051 /nfs/dbraw/zinc/77/00/51/553770051.db2.gz HUXGDGXAMHRPEW-WDEREUQCSA-N -1 3 362.835 2.325 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000328417469 553793967 /nfs/dbraw/zinc/79/39/67/553793967.db2.gz RQUCDZNWBPGOKS-MISXGVKJSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)cc1C ZINC000328535751 553794070 /nfs/dbraw/zinc/79/40/70/553794070.db2.gz SBJUMBFVEYPHIE-KRWDZBQOSA-N -1 3 364.423 2.398 20 5 FEBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331052507 554206929 /nfs/dbraw/zinc/20/69/29/554206929.db2.gz YUUIYIQXNCPLGI-GFCCVEGCSA-N -1 3 361.851 2.399 20 5 FEBDHM COc1cc(CNCc2ccccc2Cn2cncn2)c([N+](=O)[O-])cc1[O-] ZINC000508738932 561771223 /nfs/dbraw/zinc/77/12/23/561771223.db2.gz HZMUMYCHRDMMHV-UHFFFAOYSA-N -1 3 369.381 2.239 20 5 FEBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280509 554240799 /nfs/dbraw/zinc/24/07/99/554240799.db2.gz FFAYUIZPGLSDNT-NEPJUHHUSA-N -1 3 359.423 2.133 20 5 FEBDHM COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc(OC)c1[O-] ZINC000350583506 554800046 /nfs/dbraw/zinc/80/00/46/554800046.db2.gz NSJDCTQZPFKVBV-UHFFFAOYSA-N -1 3 358.310 2.353 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1c1cccs1 ZINC000361390542 554920447 /nfs/dbraw/zinc/92/04/47/554920447.db2.gz GVEOTMPGYCIAAA-HZMBPMFUSA-N -1 3 362.411 2.180 20 5 FEBDHM Cc1nn(C)c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1[N+](=O)[O-] ZINC000363095883 555029457 /nfs/dbraw/zinc/02/94/57/555029457.db2.gz BUMAWLPUVMVYPL-UHFFFAOYSA-N -1 3 368.353 2.360 20 5 FEBDHM Cc1nn(C)c2c1N(C(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)CCS2 ZINC000366616655 555891647 /nfs/dbraw/zinc/89/16/47/555891647.db2.gz BSVBLMYQRZYIGC-UHFFFAOYSA-N -1 3 358.383 2.266 20 5 FEBDHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000514600724 561969002 /nfs/dbraw/zinc/96/90/02/561969002.db2.gz TWADVLIPFNORRV-JQWIXIFHSA-N -1 3 358.416 2.159 20 5 FEBDHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413614 556301142 /nfs/dbraw/zinc/30/11/42/556301142.db2.gz SLJAWBCYIUQHLC-LBPRGKRZSA-N -1 3 367.365 2.110 20 5 FEBDHM COc1cccc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c1[N+](=O)[O-] ZINC000368919998 556448756 /nfs/dbraw/zinc/44/87/56/556448756.db2.gz QWDVDQUPPNEETP-UHFFFAOYSA-N -1 3 363.395 2.234 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000371070841 557066027 /nfs/dbraw/zinc/06/60/27/557066027.db2.gz XRQBJKLWIQJLII-NILFDRSVSA-N -1 3 370.427 2.085 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)cc1C ZINC000386283465 558607149 /nfs/dbraw/zinc/60/71/49/558607149.db2.gz RLBWXDYSIHVCIP-AWEZNQCLSA-N -1 3 356.444 2.431 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)C(C)C ZINC000397163362 558623831 /nfs/dbraw/zinc/62/38/31/558623831.db2.gz XUHCXSFFEKAPIM-UKRRQHHQSA-N -1 3 356.400 2.094 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403778752 558630859 /nfs/dbraw/zinc/63/08/59/558630859.db2.gz FRWYIKJKKLWJNP-GRYCIOLGSA-N -1 3 368.411 2.096 20 5 FEBDHM CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000416446294 559313352 /nfs/dbraw/zinc/31/33/52/559313352.db2.gz OURINNOPQACFPV-UHFFFAOYSA-N -1 3 368.333 2.461 20 5 FEBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459845 559314534 /nfs/dbraw/zinc/31/45/34/559314534.db2.gz KSBFPDJMNAUTQZ-DTWKUNHWSA-N -1 3 370.349 2.299 20 5 FEBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416462275 559314887 /nfs/dbraw/zinc/31/48/87/559314887.db2.gz PFXOBWYEBDRQMX-SECBINFHSA-N -1 3 356.322 2.053 20 5 FEBDHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416469318 559315627 /nfs/dbraw/zinc/31/56/27/559315627.db2.gz JAXCGOCUKFATNV-WPRPVWTQSA-N -1 3 368.333 2.317 20 5 FEBDHM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486458 559316889 /nfs/dbraw/zinc/31/68/89/559316889.db2.gz IOWXXHPXCUHYAS-VIFPVBQESA-N -1 3 370.349 2.156 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416495620 559317644 /nfs/dbraw/zinc/31/76/44/559317644.db2.gz MQWIUOUBWSGYKQ-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416549524 559321145 /nfs/dbraw/zinc/32/11/45/559321145.db2.gz OXAHIBLVLSNIFY-CABCVRRESA-N -1 3 356.400 2.079 20 5 FEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOCC1 ZINC000420770164 559503502 /nfs/dbraw/zinc/50/35/02/559503502.db2.gz ZMURSBHLQZFVOO-CYBMUJFWSA-N -1 3 372.443 2.074 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000431576224 559841785 /nfs/dbraw/zinc/84/17/85/559841785.db2.gz FRYHQDGOXGTBQR-UHFFFAOYSA-N -1 3 358.416 2.484 20 5 FEBDHM CC(C)CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438946298 559985979 /nfs/dbraw/zinc/98/59/79/559985979.db2.gz HLBBKMJMDNSPKY-GFCCVEGCSA-N -1 3 361.489 2.445 20 5 FEBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442899359 560061406 /nfs/dbraw/zinc/06/14/06/560061406.db2.gz FEUIAEBHDUMVDR-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000443510468 560085951 /nfs/dbraw/zinc/08/59/51/560085951.db2.gz NTQVTJKCMVIMSI-TZMCWYRMSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1N(C)CCCC1(C)C ZINC000447932948 560173651 /nfs/dbraw/zinc/17/36/51/560173651.db2.gz RWKPLTJGKYVUQR-OAHLLOKOSA-N -1 3 371.459 2.002 20 5 FEBDHM Cn1nc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c2c1CCCC2 ZINC000449837689 560242036 /nfs/dbraw/zinc/24/20/36/560242036.db2.gz YWMANFLLDVKDBD-UHFFFAOYSA-N -1 3 366.381 2.850 20 5 FEBDHM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000451746536 560326088 /nfs/dbraw/zinc/32/60/88/560326088.db2.gz INNGZBRGVQCEQI-VXGBXAGGSA-N -1 3 370.427 2.486 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451822550 560330889 /nfs/dbraw/zinc/33/08/89/560330889.db2.gz KMECFPSQDRIBQL-DOMZBBRYSA-N -1 3 372.443 2.333 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451855477 560332744 /nfs/dbraw/zinc/33/27/44/560332744.db2.gz OVHMINFQVQVWLU-IUODEOHRSA-N -1 3 374.846 2.324 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000452030856 560346532 /nfs/dbraw/zinc/34/65/32/560346532.db2.gz PNDANCFNBHLHST-SNVBAGLBSA-N -1 3 356.400 2.238 20 5 FEBDHM CC(C)=CCC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000456070285 560505984 /nfs/dbraw/zinc/50/59/84/560505984.db2.gz YXKZREUHZUNDJX-CYBMUJFWSA-N -1 3 369.443 2.124 20 5 FEBDHM Cc1noc([N-]C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C ZINC000461532205 560774865 /nfs/dbraw/zinc/77/48/65/560774865.db2.gz FWUWAEQWGDBUHE-UHFFFAOYSA-N -1 3 369.337 2.306 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000467064586 560902810 /nfs/dbraw/zinc/90/28/10/560902810.db2.gz VXXARBOZALAPRQ-OASPWFOLSA-N -1 3 358.441 2.201 20 5 FEBDHM Cc1ncc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000467212798 560906373 /nfs/dbraw/zinc/90/63/73/560906373.db2.gz ALPABHKEEIXFIU-UHFFFAOYSA-N -1 3 351.750 2.052 20 5 FEBDHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000468613961 560934114 /nfs/dbraw/zinc/93/41/14/560934114.db2.gz ZABFMRVKFMPDMF-SNVBAGLBSA-N -1 3 370.369 2.351 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C1 ZINC000469352439 560953095 /nfs/dbraw/zinc/95/30/95/560953095.db2.gz ZWTFGESDQYDMTD-SNVBAGLBSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000469365856 560953329 /nfs/dbraw/zinc/95/33/29/560953329.db2.gz WIAJKGHCBKWUTL-QIMFLAQGSA-N -1 3 368.411 2.238 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC000477124006 561137225 /nfs/dbraw/zinc/13/72/25/561137225.db2.gz YKDGZHWUNHZKHC-UHFFFAOYSA-N -1 3 365.411 2.148 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1O ZINC000533093670 562498132 /nfs/dbraw/zinc/49/81/32/562498132.db2.gz BPYQKGDTORQOHV-UHFFFAOYSA-N -1 3 372.786 2.441 20 5 FEBDHM CC(C)CN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497932 562510944 /nfs/dbraw/zinc/51/09/44/562510944.db2.gz YSXSIDVYIWQCDQ-AWEZNQCLSA-N -1 3 355.460 2.384 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000533913501 562521209 /nfs/dbraw/zinc/52/12/09/562521209.db2.gz SHTIQHKVPNLHJV-MRXNPFEDSA-N -1 3 363.395 2.428 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c([N+](=O)[O-])c1 ZINC000536048928 562571981 /nfs/dbraw/zinc/57/19/81/562571981.db2.gz BEOGBVUXWDZEAG-UHFFFAOYSA-N -1 3 354.359 2.013 20 5 FEBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000536467878 562576240 /nfs/dbraw/zinc/57/62/40/562576240.db2.gz QOEAKIFCYORPFU-UHFFFAOYSA-N -1 3 368.396 2.354 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1 ZINC000541785015 567831458 /nfs/dbraw/zinc/83/14/58/567831458.db2.gz BIDNPHVZUYBKRD-UHFFFAOYSA-N -1 3 350.400 2.473 20 5 FEBDHM CCOC(=O)c1csc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000603941432 568185039 /nfs/dbraw/zinc/18/50/39/568185039.db2.gz UDDXOBCOBZDNLF-UHFFFAOYSA-N -1 3 365.323 2.209 20 5 FEBDHM CCc1ccc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736689428 599157176 /nfs/dbraw/zinc/15/71/76/599157176.db2.gz HDFAIWHWVBBDFD-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM CCc1ccc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736689428 599157179 /nfs/dbraw/zinc/15/71/79/599157179.db2.gz HDFAIWHWVBBDFD-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737062392 599187322 /nfs/dbraw/zinc/18/73/22/599187322.db2.gz JZZNLZVRZJYDSN-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737062392 599187325 /nfs/dbraw/zinc/18/73/25/599187325.db2.gz JZZNLZVRZJYDSN-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000738373866 599232323 /nfs/dbraw/zinc/23/23/23/599232323.db2.gz IQYJXNIBBASQJC-NSHDSACASA-N -1 3 351.370 2.387 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000738373866 599232326 /nfs/dbraw/zinc/23/23/26/599232326.db2.gz IQYJXNIBBASQJC-NSHDSACASA-N -1 3 351.370 2.387 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823652313 599285373 /nfs/dbraw/zinc/28/53/73/599285373.db2.gz ZQOPDMBQHLYCEE-UHFFFAOYSA-N -1 3 363.284 2.383 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ccc(OC(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823652313 599285375 /nfs/dbraw/zinc/28/53/75/599285375.db2.gz ZQOPDMBQHLYCEE-UHFFFAOYSA-N -1 3 363.284 2.383 20 5 FEBDHM O=[N+]([O-])c1sccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738373409 598244709 /nfs/dbraw/zinc/24/47/09/598244709.db2.gz BWUFQXJGXQJENM-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM O=[N+]([O-])c1sccc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738373409 598244711 /nfs/dbraw/zinc/24/47/11/598244711.db2.gz BWUFQXJGXQJENM-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM Cc1cccn2cc(CCNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)nc12 ZINC000822366487 607348561 /nfs/dbraw/zinc/34/85/61/607348561.db2.gz JRWRWHMJDXQEIR-UHFFFAOYSA-N -1 3 364.369 2.386 20 5 FEBDHM Cc1cccn2cc(CCNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)nc12 ZINC000822366487 607348562 /nfs/dbraw/zinc/34/85/62/607348562.db2.gz JRWRWHMJDXQEIR-UHFFFAOYSA-N -1 3 364.369 2.386 20 5 FEBDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000737237019 598306351 /nfs/dbraw/zinc/30/63/51/598306351.db2.gz ZLCNWLCYYUCSOP-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000737237019 598306352 /nfs/dbraw/zinc/30/63/52/598306352.db2.gz ZLCNWLCYYUCSOP-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cnn([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737445293 598339672 /nfs/dbraw/zinc/33/96/72/598339672.db2.gz RUKKIWSJEASGJB-ZDUSSCGKSA-N -1 3 354.374 2.121 20 5 FEBDHM Cc1cnn([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737445293 598339674 /nfs/dbraw/zinc/33/96/74/598339674.db2.gz RUKKIWSJEASGJB-ZDUSSCGKSA-N -1 3 354.374 2.121 20 5 FEBDHM COc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000737095563 598390959 /nfs/dbraw/zinc/39/09/59/598390959.db2.gz KFGCKOGWXJGZSY-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000737095563 598390961 /nfs/dbraw/zinc/39/09/61/598390961.db2.gz KFGCKOGWXJGZSY-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822978581 607356559 /nfs/dbraw/zinc/35/65/59/607356559.db2.gz MUDNTYTUPQDCFL-UHFFFAOYSA-N -1 3 357.301 2.452 20 5 FEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822978581 607356560 /nfs/dbraw/zinc/35/65/60/607356560.db2.gz MUDNTYTUPQDCFL-UHFFFAOYSA-N -1 3 357.301 2.452 20 5 FEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737924506 598498652 /nfs/dbraw/zinc/49/86/52/598498652.db2.gz HLIQTVUSFMADLB-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737924506 598498653 /nfs/dbraw/zinc/49/86/53/598498653.db2.gz HLIQTVUSFMADLB-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nnn[n-]2)c1 ZINC000738373719 598501026 /nfs/dbraw/zinc/50/10/26/598501026.db2.gz GBCAZKYRTQWFHR-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nn[n-]n2)c1 ZINC000738373719 598501028 /nfs/dbraw/zinc/50/10/28/598501028.db2.gz GBCAZKYRTQWFHR-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM COC(=O)Cc1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736930755 598580144 /nfs/dbraw/zinc/58/01/44/598580144.db2.gz KOPRVDZHJJCOJP-UHFFFAOYSA-N -1 3 355.310 2.283 20 5 FEBDHM COC(=O)Cc1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736930755 598580146 /nfs/dbraw/zinc/58/01/46/598580146.db2.gz KOPRVDZHJJCOJP-UHFFFAOYSA-N -1 3 355.310 2.283 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[S@@](=O)Cc1ccccc1 ZINC000738358029 598629033 /nfs/dbraw/zinc/62/90/33/598629033.db2.gz JZXTZYKYONOOGM-AREMUKBSSA-N -1 3 372.410 2.136 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[S@@](=O)Cc1ccccc1 ZINC000738358029 598629034 /nfs/dbraw/zinc/62/90/34/598629034.db2.gz JZXTZYKYONOOGM-AREMUKBSSA-N -1 3 372.410 2.136 20 5 FEBDHM COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000737091927 598673562 /nfs/dbraw/zinc/67/35/62/598673562.db2.gz ZZYNKSOBIRCJKI-UHFFFAOYSA-N -1 3 355.358 2.123 20 5 FEBDHM COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000737091927 598673563 /nfs/dbraw/zinc/67/35/63/598673563.db2.gz ZZYNKSOBIRCJKI-UHFFFAOYSA-N -1 3 355.358 2.123 20 5 FEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737955423 598779594 /nfs/dbraw/zinc/77/95/94/598779594.db2.gz GSCLRAFKVYMKAV-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737955423 598779595 /nfs/dbraw/zinc/77/95/95/598779595.db2.gz GSCLRAFKVYMKAV-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505407 599309136 /nfs/dbraw/zinc/30/91/36/599309136.db2.gz MYYPCBYHKNIPTN-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505407 599309141 /nfs/dbraw/zinc/30/91/41/599309141.db2.gz MYYPCBYHKNIPTN-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM O=C1CCCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000823530086 599320884 /nfs/dbraw/zinc/32/08/84/599320884.db2.gz CDAINEVAGPMTRW-UHFFFAOYSA-N -1 3 366.341 2.040 20 5 FEBDHM O=C1CCCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000823530086 599320886 /nfs/dbraw/zinc/32/08/86/599320886.db2.gz CDAINEVAGPMTRW-UHFFFAOYSA-N -1 3 366.341 2.040 20 5 FEBDHM C[C@H]1Oc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2NC1=O ZINC000820821002 599369363 /nfs/dbraw/zinc/36/93/63/599369363.db2.gz QVQNYJRCHIUION-MRVPVSSYSA-N -1 3 367.325 2.238 20 5 FEBDHM C[C@H]1Oc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2NC1=O ZINC000820821002 599369366 /nfs/dbraw/zinc/36/93/66/599369366.db2.gz QVQNYJRCHIUION-MRVPVSSYSA-N -1 3 367.325 2.238 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(Cc2ccsc2)CC1 ZINC000823629987 599386394 /nfs/dbraw/zinc/38/63/94/599386394.db2.gz OVOQRLLROONQTN-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]CC(F)(F)Br)c1C ZINC000808572682 674463492 /nfs/dbraw/zinc/46/34/92/674463492.db2.gz CULUYZBOENPGIC-UHFFFAOYSA-N -1 3 373.175 2.478 20 5 FEBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820769496 599524916 /nfs/dbraw/zinc/52/49/16/599524916.db2.gz USDCUZUVUPZRDM-VIFPVBQESA-N -1 3 357.399 2.265 20 5 FEBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820769496 599524918 /nfs/dbraw/zinc/52/49/18/599524918.db2.gz USDCUZUVUPZRDM-VIFPVBQESA-N -1 3 357.399 2.265 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821845101 599529928 /nfs/dbraw/zinc/52/99/28/599529928.db2.gz ANMMEOVPVUPNQO-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821845101 599529930 /nfs/dbraw/zinc/52/99/30/599529930.db2.gz ANMMEOVPVUPNQO-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000826251883 607382836 /nfs/dbraw/zinc/38/28/36/607382836.db2.gz FCVMVYLUFZCGQI-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000826251883 607382838 /nfs/dbraw/zinc/38/28/38/607382838.db2.gz FCVMVYLUFZCGQI-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM CN(C)CCN(Cc1ccco1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830608788 601739768 /nfs/dbraw/zinc/73/97/68/601739768.db2.gz ITPIHYODICVDIB-UHFFFAOYSA-N -1 3 361.354 2.090 20 5 FEBDHM COc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826200543 607553293 /nfs/dbraw/zinc/55/32/93/607553293.db2.gz VNFFMLATJGJXGM-UHFFFAOYSA-N -1 3 369.341 2.105 20 5 FEBDHM COc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826200543 607553295 /nfs/dbraw/zinc/55/32/95/607553295.db2.gz VNFFMLATJGJXGM-UHFFFAOYSA-N -1 3 369.341 2.105 20 5 FEBDHM COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826200218 607553348 /nfs/dbraw/zinc/55/33/48/607553348.db2.gz DOWVEUGPILGEGP-UHFFFAOYSA-N -1 3 369.341 2.105 20 5 FEBDHM COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826200218 607553350 /nfs/dbraw/zinc/55/33/50/607553350.db2.gz DOWVEUGPILGEGP-UHFFFAOYSA-N -1 3 369.341 2.105 20 5 FEBDHM COc1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204309 607560095 /nfs/dbraw/zinc/56/00/95/607560095.db2.gz GHYDAEFXBFZWCE-UHFFFAOYSA-N -1 3 366.341 2.043 20 5 FEBDHM COc1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204309 607560096 /nfs/dbraw/zinc/56/00/96/607560096.db2.gz GHYDAEFXBFZWCE-UHFFFAOYSA-N -1 3 366.341 2.043 20 5 FEBDHM COc1ccc(OCCN2CCC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500319 604041871 /nfs/dbraw/zinc/04/18/71/604041871.db2.gz IADQPHUEKUUBFD-ZDUSSCGKSA-N -1 3 367.402 2.304 20 5 FEBDHM CCc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476081 606099955 /nfs/dbraw/zinc/09/99/55/606099955.db2.gz GNSNXNISISMSSL-UHFFFAOYSA-N -1 3 352.354 2.267 20 5 FEBDHM CCc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476081 606099957 /nfs/dbraw/zinc/09/99/57/606099957.db2.gz GNSNXNISISMSSL-UHFFFAOYSA-N -1 3 352.354 2.267 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000820455314 606425244 /nfs/dbraw/zinc/42/52/44/606425244.db2.gz GQIBBUGHUMJICE-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000820455314 606425246 /nfs/dbraw/zinc/42/52/46/606425246.db2.gz GQIBBUGHUMJICE-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM C[S@](=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821942813 606431185 /nfs/dbraw/zinc/43/11/85/606431185.db2.gz RLYHCCQKGXSIKO-VWLOTQADSA-N -1 3 358.383 2.124 20 5 FEBDHM C[S@](=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821942813 606431187 /nfs/dbraw/zinc/43/11/87/606431187.db2.gz RLYHCCQKGXSIKO-VWLOTQADSA-N -1 3 358.383 2.124 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCO[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000823634985 606645328 /nfs/dbraw/zinc/64/53/28/606645328.db2.gz PDOSMYUYFSJMKH-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820397254 606860439 /nfs/dbraw/zinc/86/04/39/606860439.db2.gz NEIONHKJSIKKCR-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820397254 606860441 /nfs/dbraw/zinc/86/04/41/606860441.db2.gz NEIONHKJSIKKCR-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM COC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821670234 606877355 /nfs/dbraw/zinc/87/73/55/606877355.db2.gz TVJWBTFRZHLGID-UHFFFAOYSA-N -1 3 354.326 2.174 20 5 FEBDHM COC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821670234 606877356 /nfs/dbraw/zinc/87/73/56/606877356.db2.gz TVJWBTFRZHLGID-UHFFFAOYSA-N -1 3 354.326 2.174 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823014121 607081440 /nfs/dbraw/zinc/08/14/40/607081440.db2.gz GUUBTBCCYSMGTC-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823014121 607081442 /nfs/dbraw/zinc/08/14/42/607081442.db2.gz GUUBTBCCYSMGTC-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000826500139 607943303 /nfs/dbraw/zinc/94/33/03/607943303.db2.gz MMPXNYLSZPUMCE-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000826500139 607943304 /nfs/dbraw/zinc/94/33/04/607943304.db2.gz MMPXNYLSZPUMCE-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM CC[C@@H](C)OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825074989 608161270 /nfs/dbraw/zinc/16/12/70/608161270.db2.gz MLCPSOKSPRVIDJ-SSDOTTSWSA-N -1 3 354.754 2.182 20 5 FEBDHM CC[C@@H](C)OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825074989 608161272 /nfs/dbraw/zinc/16/12/72/608161272.db2.gz MLCPSOKSPRVIDJ-SSDOTTSWSA-N -1 3 354.754 2.182 20 5 FEBDHM O=C(C=Cc1cccnc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403184 608161620 /nfs/dbraw/zinc/16/16/20/608161620.db2.gz LTLUTUSSYRAUSP-ONEGZZNKSA-N -1 3 371.744 2.475 20 5 FEBDHM O=C(C=Cc1cccnc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403184 608161622 /nfs/dbraw/zinc/16/16/22/608161622.db2.gz LTLUTUSSYRAUSP-ONEGZZNKSA-N -1 3 371.744 2.475 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826172461 608344356 /nfs/dbraw/zinc/34/43/56/608344356.db2.gz HYINIWQERGHWGT-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826172461 608344358 /nfs/dbraw/zinc/34/43/58/608344358.db2.gz HYINIWQERGHWGT-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1[C@H](C)O ZINC000826326128 608667502 /nfs/dbraw/zinc/66/75/02/608667502.db2.gz BKVIXSLOUASVHM-JTQLQIEISA-N -1 3 355.358 2.144 20 5 FEBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1[C@H](C)O ZINC000826326128 608667505 /nfs/dbraw/zinc/66/75/05/608667505.db2.gz BKVIXSLOUASVHM-JTQLQIEISA-N -1 3 355.358 2.144 20 5 FEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891530 608800101 /nfs/dbraw/zinc/80/01/01/608800101.db2.gz AQPYULMKMNZSKR-ZJUUUORDSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891530 608800102 /nfs/dbraw/zinc/80/01/02/608800102.db2.gz AQPYULMKMNZSKR-ZJUUUORDSA-N -1 3 355.358 2.303 20 5 FEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826439539 609328166 /nfs/dbraw/zinc/32/81/66/609328166.db2.gz ZCZRXQYPUJNPFT-UHFFFAOYSA-N -1 3 372.772 2.401 20 5 FEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826439539 609328169 /nfs/dbraw/zinc/32/81/69/609328169.db2.gz ZCZRXQYPUJNPFT-UHFFFAOYSA-N -1 3 372.772 2.401 20 5 FEBDHM Cc1nnc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000826335319 609578072 /nfs/dbraw/zinc/57/80/72/609578072.db2.gz IRIZMBGDWJPRSZ-UHFFFAOYSA-N -1 3 369.370 2.095 20 5 FEBDHM Cc1nnc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000826335319 609578073 /nfs/dbraw/zinc/57/80/73/609578073.db2.gz IRIZMBGDWJPRSZ-UHFFFAOYSA-N -1 3 369.370 2.095 20 5 FEBDHM CC(C)OCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000812808992 674699859 /nfs/dbraw/zinc/69/98/59/674699859.db2.gz OYPGPYFQPWSGLH-UHFFFAOYSA-N -1 3 361.192 2.373 20 5 FEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976003 674890934 /nfs/dbraw/zinc/89/09/34/674890934.db2.gz ATPXQTIBQUCCOB-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1nc(C)c(CC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c(=O)[n-]1 ZINC000118604834 671887180 /nfs/dbraw/zinc/88/71/80/671887180.db2.gz DRNLLDMIQNODJS-UHFFFAOYSA-N -1 3 351.746 2.405 20 5 FEBDHM COc1c(C)cnc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000119676959 671905967 /nfs/dbraw/zinc/90/59/67/671905967.db2.gz MJNKZAOKTFFSBM-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000584617605 672203406 /nfs/dbraw/zinc/20/34/06/672203406.db2.gz YTDQJRWKYWYNQF-ZDUSSCGKSA-N -1 3 350.419 2.039 20 5 FEBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000610759107 675994845 /nfs/dbraw/zinc/99/48/45/675994845.db2.gz LAYBGEQNVQWHJC-UHFFFAOYSA-N -1 3 369.374 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)nc1 ZINC000593535108 672936289 /nfs/dbraw/zinc/93/62/89/672936289.db2.gz HOUWZULVFAXUIA-ZDUSSCGKSA-N -1 3 367.358 2.321 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(F)c1 ZINC000593556873 672942014 /nfs/dbraw/zinc/94/20/14/672942014.db2.gz AIUFHETUGKVRFU-ZDUSSCGKSA-N -1 3 369.374 2.265 20 5 FEBDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593590182 672952311 /nfs/dbraw/zinc/95/23/11/672952311.db2.gz BFUFFSRUOJGHKL-LSDHHAIUSA-N -1 3 363.395 2.223 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC2)nc1 ZINC000593614093 672958724 /nfs/dbraw/zinc/95/87/24/672958724.db2.gz ZOJJTSOGLNLZTH-UHFFFAOYSA-N -1 3 351.359 2.487 20 5 FEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000594772401 673136992 /nfs/dbraw/zinc/13/69/92/673136992.db2.gz JYVIDPVNAXFMBP-UHFFFAOYSA-N -1 3 357.338 2.467 20 5 FEBDHM COCc1csc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000594850491 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350.824 2.324 20 5 FEBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546778516 673817959 /nfs/dbraw/zinc/81/79/59/673817959.db2.gz HTZZANFLXVFYKV-GFCCVEGCSA-N -1 3 356.425 2.118 20 5 FEBDHM COc1cc(COC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1[N+](=O)[O-] ZINC000826179874 675684187 /nfs/dbraw/zinc/68/41/87/675684187.db2.gz JAMHZOBSJRJPKN-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1cc(COC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1[N+](=O)[O-] ZINC000826179874 675684189 /nfs/dbraw/zinc/68/41/89/675684189.db2.gz JAMHZOBSJRJPKN-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC000604019331 675802899 /nfs/dbraw/zinc/80/28/99/675802899.db2.gz ADWFAXOIMPWZLM-UHFFFAOYSA-N -1 3 366.786 2.374 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c(F)c1 ZINC000604483363 675805153 /nfs/dbraw/zinc/80/51/53/675805153.db2.gz BUXJBAQURFWICD-UHFFFAOYSA-N -1 3 365.386 2.028 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccccc1 ZINC000619481401 676379741 /nfs/dbraw/zinc/37/97/41/676379741.db2.gz NNZKFVXKTKCZIW-ZDUSSCGKSA-N -1 3 366.395 2.269 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(F)F ZINC000830074782 677023913 /nfs/dbraw/zinc/02/39/13/677023913.db2.gz XFRMHNPTBLPNBQ-MRVPVSSYSA-N -1 3 367.330 2.442 20 5 FEBDHM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000748660063 679985974 /nfs/dbraw/zinc/98/59/74/679985974.db2.gz XQIRHZDMYRHYDP-CYBMUJFWSA-N -1 3 364.807 2.258 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC000767588029 680917569 /nfs/dbraw/zinc/91/75/69/680917569.db2.gz UEYFYEHRGFVWEA-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM CCc1ccc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000842802536 680967924 /nfs/dbraw/zinc/96/79/24/680967924.db2.gz CADRMERHRVYGPX-LBPRGKRZSA-N -1 3 370.349 2.403 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@](C)(O)c1ccccc1 ZINC000845979355 681168874 /nfs/dbraw/zinc/16/88/74/681168874.db2.gz MNUMPZMGLLGYAJ-MEDUHNTESA-N -1 3 368.386 2.308 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCCCC3)O2)c(F)c1 ZINC000775729319 681328917 /nfs/dbraw/zinc/32/89/17/681328917.db2.gz QQIFHJPUVZXSKF-LBPRGKRZSA-N -1 3 374.390 2.088 20 5 FEBDHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000775906032 681347260 /nfs/dbraw/zinc/34/72/60/681347260.db2.gz FWESBWBNERFCJI-SOFGYWHQSA-N -1 3 355.276 2.451 20 5 FEBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc1[N+](=O)[O-] ZINC000795243067 683032190 /nfs/dbraw/zinc/03/21/90/683032190.db2.gz YMWHTTIQWCLNBW-UHFFFAOYSA-N -1 3 367.330 2.095 20 5 FEBDHM CCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795289464 683035862 /nfs/dbraw/zinc/03/58/62/683035862.db2.gz HJKNKWJCZZZIJY-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM COC(=O)[C@](C)([N-]S(=O)(=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000859369664 683095899 /nfs/dbraw/zinc/09/58/99/683095899.db2.gz IYNJIJGPGZWTFO-MRXNPFEDSA-N -1 3 370.427 2.235 20 5 FEBDHM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796104111 683128452 /nfs/dbraw/zinc/12/84/52/683128452.db2.gz NRJZDUMGKLPAFS-MEDUHNTESA-N -1 3 368.386 2.443 20 5 FEBDHM CCCn1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1=O ZINC000920245497 683325441 /nfs/dbraw/zinc/32/54/41/683325441.db2.gz PEFWWZSNDMYLCU-UHFFFAOYSA-N -1 3 351.384 2.276 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000921624744 683524302 /nfs/dbraw/zinc/52/43/02/683524302.db2.gz PCBUIZMVNZXALR-IONNQARKSA-N -1 3 354.306 2.080 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)c(F)c1 ZINC000921853602 683593752 /nfs/dbraw/zinc/59/37/52/683593752.db2.gz IRAIPFIANYYDOL-XHDPSFHLSA-N -1 3 358.391 2.217 20 5 FEBDHM O=C([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000015436817 539617771 /nfs/dbraw/zinc/61/77/71/539617771.db2.gz ITXBYHUGHRSNKT-UHFFFAOYSA-N -1 3 365.367 2.225 20 5 FEBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1SCC(N)=O ZINC000030709862 539890135 /nfs/dbraw/zinc/89/01/35/539890135.db2.gz MGWVPVISEOURCP-UHFFFAOYSA-N -1 3 358.426 2.251 20 5 FEBDHM Cc1c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cccc1[N+](=O)[O-] ZINC000046851269 540273656 /nfs/dbraw/zinc/27/36/56/540273656.db2.gz YCOXZXFRTZVALH-UHFFFAOYSA-N -1 3 358.354 2.160 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000047032398 540286065 /nfs/dbraw/zinc/28/60/65/540286065.db2.gz FOJWGRLBGDSJJN-HNNXBMFYSA-N -1 3 363.439 2.046 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cn1cccn1 ZINC000047413678 540308730 /nfs/dbraw/zinc/30/87/30/540308730.db2.gz MXBBUUHFMUNDNG-JTQLQIEISA-N -1 3 358.807 2.059 20 5 FEBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699321 540550394 /nfs/dbraw/zinc/55/03/94/540550394.db2.gz NJUUIDWNOUPJBB-CYBMUJFWSA-N -1 3 355.460 2.384 20 5 FEBDHM CN(C)c1cnc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cn1 ZINC000539956082 541013003 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3 353.444 2.115 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc([N+](=O)[O-])c1F ZINC000180089992 327670601 /nfs/dbraw/zinc/67/06/01/327670601.db2.gz UEEDXNSOWQQITM-UHFFFAOYSA-N -1 3 364.305 2.112 20 5 FEBDHM Nc1c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)cc(F)cc1[N+](=O)[O-] ZINC000183259468 327809197 /nfs/dbraw/zinc/80/91/97/327809197.db2.gz KQBKONNQJMFEBZ-UHFFFAOYSA-N -1 3 374.307 2.416 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c1 ZINC000188897931 328116418 /nfs/dbraw/zinc/11/64/18/328116418.db2.gz BSYXWEFWPSYRQJ-GHMZBOCLSA-N -1 3 362.835 2.386 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CN1CCC[C@H](C)C1 ZINC000189149781 328131399 /nfs/dbraw/zinc/13/13/99/328131399.db2.gz ZMMPRVTWZMFKJW-JSGCOSHPSA-N -1 3 355.460 2.302 20 5 FEBDHM O=C(NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000047552928 324637971 /nfs/dbraw/zinc/63/79/71/324637971.db2.gz OVHARCWJNVGWNX-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccn(-c2ccccc2)n1 ZINC000110246045 325685498 /nfs/dbraw/zinc/68/54/98/325685498.db2.gz UKRFBURBGRUTLV-UHFFFAOYSA-N -1 3 372.406 2.302 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c(Cl)c1 ZINC000245974054 328582060 /nfs/dbraw/zinc/58/20/60/328582060.db2.gz BGHUMZRDSLSDFG-CYZMBNFOSA-N -1 3 360.819 2.484 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c([N+](=O)[O-])c1 ZINC000122894444 326413233 /nfs/dbraw/zinc/41/32/33/326413233.db2.gz KHFWIOAHEFCTTL-UHFFFAOYSA-N -1 3 369.424 2.416 20 5 FEBDHM CNC(=O)c1sc2[n-]c(Cc3ccc([N+](=O)[O-])c(C)c3)nc(=O)c2c1C ZINC000122995291 326416518 /nfs/dbraw/zinc/41/65/18/326416518.db2.gz KLZNPGNFBVYRGD-UHFFFAOYSA-N -1 3 372.406 2.460 20 5 FEBDHM CS(=O)(=O)Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000123680722 326440429 /nfs/dbraw/zinc/44/04/29/326440429.db2.gz YHPWLYWTUANEGW-UHFFFAOYSA-N -1 3 374.378 2.268 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000125737330 326477097 /nfs/dbraw/zinc/47/70/97/326477097.db2.gz VXXARBOZALAPRQ-WQAKAFBOSA-N -1 3 358.441 2.201 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000153721115 326740817 /nfs/dbraw/zinc/74/08/17/326740817.db2.gz PQRBYVFWDUONGN-GFCCVEGCSA-N -1 3 363.395 2.041 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC000173222682 327242521 /nfs/dbraw/zinc/24/25/21/327242521.db2.gz ZJVWFLPZOYETSB-ZDUSSCGKSA-N -1 3 351.384 2.428 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173471787 327259690 /nfs/dbraw/zinc/25/96/90/327259690.db2.gz ABCDUFFWTRJAEP-LLVKDONJSA-N -1 3 366.443 2.163 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000248475125 328721539 /nfs/dbraw/zinc/72/15/39/328721539.db2.gz MPEWJNCPMTVAIP-NJZAAPMLSA-N -1 3 358.391 2.278 20 5 FEBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000268813370 329458228 /nfs/dbraw/zinc/45/82/28/329458228.db2.gz UUEPWTJPLHLWAL-UHFFFAOYSA-N -1 3 372.443 2.479 20 5 FEBDHM CCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269489749 329525186 /nfs/dbraw/zinc/52/51/86/329525186.db2.gz RXSXHWAKUMRTTG-UHFFFAOYSA-N -1 3 367.221 2.062 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270672996 329621119 /nfs/dbraw/zinc/62/11/19/329621119.db2.gz WTBPVCWZJKOIPT-XHDPSFHLSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1[C@H](C)O ZINC000273621331 329879450 /nfs/dbraw/zinc/87/94/50/329879450.db2.gz VUIWCIDGCDXMET-LBPRGKRZSA-N -1 3 365.411 2.138 20 5 FEBDHM CCNC(=O)N(C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000477629695 561149638 /nfs/dbraw/zinc/14/96/38/561149638.db2.gz UFDDDIXOAFWLTE-UHFFFAOYSA-N -1 3 359.342 2.113 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000158554856 545872020 /nfs/dbraw/zinc/87/20/20/545872020.db2.gz FZRTZRHXMXKYFU-LLVKDONJSA-N -1 3 354.306 2.071 20 5 FEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F ZINC000479127499 561182083 /nfs/dbraw/zinc/18/20/83/561182083.db2.gz HSPWDIAFAMUCHC-LBPRGKRZSA-N -1 3 370.349 2.403 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000479130556 561182215 /nfs/dbraw/zinc/18/22/15/561182215.db2.gz OBQSLOYMDZXUPW-NSHDSACASA-N -1 3 356.322 2.149 20 5 FEBDHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480690189 561214517 /nfs/dbraw/zinc/21/45/17/561214517.db2.gz ANEARPZBGIAXDI-NWDGAFQWSA-N -1 3 358.416 2.078 20 5 FEBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc12 ZINC000180255531 547074384 /nfs/dbraw/zinc/07/43/84/547074384.db2.gz OTMODOCMPIWEBW-UHFFFAOYSA-N -1 3 364.358 2.169 20 5 FEBDHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000483862227 561285178 /nfs/dbraw/zinc/28/51/78/561285178.db2.gz KUKVCTQIHPYJMR-KRWDZBQOSA-N -1 3 370.409 2.336 20 5 FEBDHM Cc1nc(C)c(CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000183769483 547716139 /nfs/dbraw/zinc/71/61/39/547716139.db2.gz LOFMETDYUCMYCQ-UHFFFAOYSA-N -1 3 364.789 2.197 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000184443853 547828004 /nfs/dbraw/zinc/82/80/04/547828004.db2.gz UYQBYDXRQHOKJH-UHFFFAOYSA-N -1 3 374.357 2.406 20 5 FEBDHM COc1cccc(NCC[N-]S(=O)(=O)c2cccs2)c1[N+](=O)[O-] ZINC000185608031 548009689 /nfs/dbraw/zinc/00/96/89/548009689.db2.gz ZCMGPDORUMMWIM-UHFFFAOYSA-N -1 3 357.413 2.055 20 5 FEBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000486627132 561352766 /nfs/dbraw/zinc/35/27/66/561352766.db2.gz SRWVQQITVWFFLG-YUMQZZPRSA-N -1 3 359.433 2.327 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000486686738 561354460 /nfs/dbraw/zinc/35/44/60/561354460.db2.gz YSBBATPTSZZDLO-SECBINFHSA-N -1 3 350.343 2.460 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H](O)C(F)(F)F ZINC000272105078 550423251 /nfs/dbraw/zinc/42/32/51/550423251.db2.gz HVLDDWKFMPDENE-KWQFWETISA-N -1 3 374.312 2.022 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000273565183 550503508 /nfs/dbraw/zinc/50/35/08/550503508.db2.gz NPCRLUDOAFEFNU-UHFFFAOYSA-N -1 3 370.305 2.002 20 5 FEBDHM CC(=O)c1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000283669965 551406578 /nfs/dbraw/zinc/40/65/78/551406578.db2.gz WPLRAEXTPPMQQE-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000285364605 551744331 /nfs/dbraw/zinc/74/43/31/551744331.db2.gz QUEFXPMTTLIWLI-LBPRGKRZSA-N -1 3 373.822 2.052 20 5 FEBDHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000286287505 551869881 /nfs/dbraw/zinc/86/98/81/551869881.db2.gz WTUNIERYVNWYSY-QGZVFWFLSA-N -1 3 359.382 2.342 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288273994 552123922 /nfs/dbraw/zinc/12/39/22/552123922.db2.gz DPVZAVOGMXCFMS-LLVKDONJSA-N -1 3 354.306 2.223 20 5 FEBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000500106414 561566038 /nfs/dbraw/zinc/56/60/38/561566038.db2.gz PGFKQORRBKMFQG-UTUOFQBUSA-N -1 3 370.427 2.469 20 5 FEBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000293709977 552849176 /nfs/dbraw/zinc/84/91/76/552849176.db2.gz OEZSKSWUMCULHV-UHFFFAOYSA-N -1 3 351.388 2.023 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000295712317 553048632 /nfs/dbraw/zinc/04/86/32/553048632.db2.gz KXYQDMOXJLMMRT-SNVBAGLBSA-N -1 3 350.824 2.386 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301536404 553659099 /nfs/dbraw/zinc/65/90/99/553659099.db2.gz AOSLKXGEYLUCMV-UHFFFAOYSA-N -1 3 372.337 2.171 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000327846300 553791883 /nfs/dbraw/zinc/79/18/83/553791883.db2.gz YDKFLIOVTCQCQP-RYUDHWBXSA-N -1 3 370.427 2.486 20 5 FEBDHM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccccc2C1 ZINC000507090872 561717097 /nfs/dbraw/zinc/71/70/97/561717097.db2.gz VXQIYDBJXXFZSY-OAHLLOKOSA-N -1 3 370.409 2.262 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000330486995 554127787 /nfs/dbraw/zinc/12/77/87/554127787.db2.gz FKGMFXDGLBXURT-BLLLJJGKSA-N -1 3 370.427 2.303 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485275 554127857 /nfs/dbraw/zinc/12/78/57/554127857.db2.gz ARYCKTHKMACXOH-CHWSQXEVSA-N -1 3 371.459 2.002 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000330719908 554162656 /nfs/dbraw/zinc/16/26/56/554162656.db2.gz WJNQTBQDVFJWSW-VXGBXAGGSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000510060770 561823643 /nfs/dbraw/zinc/82/36/43/561823643.db2.gz LSLQULBZWLLONZ-UHFFFAOYSA-N -1 3 374.378 2.432 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000511275210 561863575 /nfs/dbraw/zinc/86/35/75/561863575.db2.gz DXCWRQJFLSARQW-GFCCVEGCSA-N -1 3 356.429 2.128 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000360642334 554883015 /nfs/dbraw/zinc/88/30/15/554883015.db2.gz OHTLTLVOPCMSMP-SNVBAGLBSA-N -1 3 370.818 2.116 20 5 FEBDHM O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000362117231 554950770 /nfs/dbraw/zinc/95/07/70/554950770.db2.gz GSTPTLSHYONXQV-HWWDLCQESA-N -1 3 353.378 2.161 20 5 FEBDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414944 562089721 /nfs/dbraw/zinc/08/97/21/562089721.db2.gz MFZKLALUEDBOBC-VXGBXAGGSA-N -1 3 359.423 2.275 20 5 FEBDHM CN(C)S(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)ccc1F ZINC000518199654 562106215 /nfs/dbraw/zinc/10/62/15/562106215.db2.gz BEHAEXPMBLKZGC-UHFFFAOYSA-N -1 3 373.387 2.298 20 5 FEBDHM COC(=O)C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000373106949 557629854 /nfs/dbraw/zinc/62/98/54/557629854.db2.gz OCRPXYMTYICVAO-LLVKDONJSA-N -1 3 357.322 2.003 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000520156154 562149715 /nfs/dbraw/zinc/14/97/15/562149715.db2.gz SPUYWYVIQHVPKZ-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375007976 557963238 /nfs/dbraw/zinc/96/32/38/557963238.db2.gz IJQRCMVYWDVZAH-CQSZACIVSA-N -1 3 361.329 2.357 20 5 FEBDHM COc1cnccc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000521371623 562175226 /nfs/dbraw/zinc/17/52/26/562175226.db2.gz ILAZVJQVYFNEBE-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000523106511 562208486 /nfs/dbraw/zinc/20/84/86/562208486.db2.gz KLYIFCSMMURPNV-UHFFFAOYSA-N -1 3 364.379 2.017 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000383462680 558604968 /nfs/dbraw/zinc/60/49/68/558604968.db2.gz HMEZGGLAAZPYDO-JTQLQIEISA-N -1 3 352.368 2.349 20 5 FEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000525640913 562251310 /nfs/dbraw/zinc/25/13/10/562251310.db2.gz JKBJIBUGSVSTKZ-LBPRGKRZSA-N -1 3 358.416 2.017 20 5 FEBDHM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000412699874 559051374 /nfs/dbraw/zinc/05/13/74/559051374.db2.gz PUXDDZCNQJOOEY-ZDUSSCGKSA-N -1 3 356.382 2.042 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000416413082 559311219 /nfs/dbraw/zinc/31/12/19/559311219.db2.gz ONAGDCOFFTZRNV-GZMMTYOYSA-N -1 3 368.333 2.053 20 5 FEBDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000416436283 559312687 /nfs/dbraw/zinc/31/26/87/559312687.db2.gz CELCMQVDFTZYRV-GFCCVEGCSA-N -1 3 364.427 2.210 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416440336 559312954 /nfs/dbraw/zinc/31/29/54/559312954.db2.gz CWPCWWVFYSCLII-SNVBAGLBSA-N -1 3 368.333 2.317 20 5 FEBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416483372 559316599 /nfs/dbraw/zinc/31/65/99/559316599.db2.gz KTWAWMXMJHWLAM-SFYZADRCSA-N -1 3 356.322 2.315 20 5 FEBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416492365 559317251 /nfs/dbraw/zinc/31/72/51/559317251.db2.gz CXLDJRFEGWAXGJ-MWLCHTKSSA-N -1 3 368.333 2.459 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC000416502724 559318180 /nfs/dbraw/zinc/31/81/80/559318180.db2.gz MZLXGBDTFZKBLK-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416510355 559318833 /nfs/dbraw/zinc/31/88/33/559318833.db2.gz XGGKOMXCFLRSHE-JTQLQIEISA-N -1 3 358.416 2.469 20 5 FEBDHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416525615 559319809 /nfs/dbraw/zinc/31/98/09/559319809.db2.gz BMEURPHZCLWOHG-GHMZBOCLSA-N -1 3 356.400 2.079 20 5 FEBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000416532736 559320163 /nfs/dbraw/zinc/32/01/63/559320163.db2.gz IMJIINLIOYGEHA-PSASIEDQSA-N -1 3 368.333 2.459 20 5 FEBDHM COC(=O)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)Cc1ccc([O-])c(F)c1 ZINC000420641597 559494790 /nfs/dbraw/zinc/49/47/90/559494790.db2.gz UPJAFKVVWREHIC-GFCCVEGCSA-N -1 3 363.345 2.587 20 5 FEBDHM Cc1c(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cccc1[N+](=O)[O-] ZINC000425924187 559725349 /nfs/dbraw/zinc/72/53/49/559725349.db2.gz UHEZYFCMYUWSED-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM COC(=O)c1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)[n-]1 ZINC000426437424 559734452 /nfs/dbraw/zinc/73/44/52/559734452.db2.gz NHZAQWDGUNYKET-UHFFFAOYSA-N -1 3 357.326 2.414 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431570918 559841558 /nfs/dbraw/zinc/84/15/58/559841558.db2.gz OYEXBLALXHHWEW-UHFFFAOYSA-N -1 3 357.775 2.130 20 5 FEBDHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000431636353 559843076 /nfs/dbraw/zinc/84/30/76/559843076.db2.gz VJTYGRKUXHPFTN-GFCCVEGCSA-N -1 3 371.459 2.042 20 5 FEBDHM COc1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1[O-] ZINC000436805871 559952554 /nfs/dbraw/zinc/95/25/54/559952554.db2.gz FYXWFPZRYSHWAS-UHFFFAOYSA-N -1 3 355.310 2.346 20 5 FEBDHM CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])Cc2ccccc2C1 ZINC000436989876 559958851 /nfs/dbraw/zinc/95/88/51/559958851.db2.gz NERHKSRGAJTQOD-UHFFFAOYSA-N -1 3 355.394 2.129 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442910228 560061864 /nfs/dbraw/zinc/06/18/64/560061864.db2.gz CRTSGFCIXKRQHR-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM COc1cc(C)cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000443777597 560092495 /nfs/dbraw/zinc/09/24/95/560092495.db2.gz FUEIAVFYJMDOJB-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM CCN1C(=O)CCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000445157367 560129950 /nfs/dbraw/zinc/12/99/50/560129950.db2.gz IKNWLOVRWQMOMQ-UHFFFAOYSA-N -1 3 356.338 2.247 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccncc2OC)c([N+](=O)[O-])c1 ZINC000445696808 560133823 /nfs/dbraw/zinc/13/38/23/560133823.db2.gz KOYAUVOOZWZSKR-SNVBAGLBSA-N -1 3 367.383 2.047 20 5 FEBDHM CSc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[n-]1 ZINC000446124195 560140208 /nfs/dbraw/zinc/14/02/08/560140208.db2.gz YUVZCHARBZZXFX-UHFFFAOYSA-N -1 3 372.204 2.379 20 5 FEBDHM CSc1n[n-]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000446124195 560140209 /nfs/dbraw/zinc/14/02/09/560140209.db2.gz YUVZCHARBZZXFX-UHFFFAOYSA-N -1 3 372.204 2.379 20 5 FEBDHM CSc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[n-]1 ZINC000446124195 560140210 /nfs/dbraw/zinc/14/02/10/560140210.db2.gz YUVZCHARBZZXFX-UHFFFAOYSA-N -1 3 372.204 2.379 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)c1[N+](=O)[O-] ZINC000451947011 560340084 /nfs/dbraw/zinc/34/00/84/560340084.db2.gz OECIBYNYKLWOJO-VXGBXAGGSA-N -1 3 350.400 2.392 20 5 FEBDHM COc1cc(CNc2ccnc(OCC(F)(F)F)n2)c([N+](=O)[O-])cc1[O-] ZINC000453052694 560382457 /nfs/dbraw/zinc/38/24/57/560382457.db2.gz MFSJZGOTPMJIOR-UHFFFAOYSA-N -1 3 374.275 2.652 20 5 FEBDHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000466750611 560894288 /nfs/dbraw/zinc/89/42/88/560894288.db2.gz WUYDGNJUPBYEQC-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000469361123 560953297 /nfs/dbraw/zinc/95/32/97/560953297.db2.gz QEFAOBOVSHIARL-UHFFFAOYSA-N -1 3 356.400 2.096 20 5 FEBDHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143732 561137900 /nfs/dbraw/zinc/13/79/00/561137900.db2.gz YCPBXBRRPJOSNP-VGVVRCBHSA-N -1 3 370.427 2.388 20 5 FEBDHM COc1cc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])ncn1 ZINC000532825462 562489933 /nfs/dbraw/zinc/48/99/33/562489933.db2.gz QAOGYQYHCKVKMJ-UHFFFAOYSA-N -1 3 370.268 2.256 20 5 FEBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000533553372 562512972 /nfs/dbraw/zinc/51/29/72/562512972.db2.gz BZJBCWGUMQGHMN-OAHLLOKOSA-N -1 3 350.396 2.224 20 5 FEBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000534706166 562540663 /nfs/dbraw/zinc/54/06/63/562540663.db2.gz UJFQRJDPOQJOHK-UHFFFAOYSA-N -1 3 353.338 2.121 20 5 FEBDHM CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568627384 568100555 /nfs/dbraw/zinc/10/05/55/568100555.db2.gz ZHWGGEMXWJIOOD-LQBHMHGISA-N -1 3 369.805 2.425 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc2c(c1)CCO2 ZINC000738357921 598914662 /nfs/dbraw/zinc/91/46/62/598914662.db2.gz IXQHGBPKPPMQCX-UHFFFAOYSA-N -1 3 352.354 2.364 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc2c(c1)CCO2 ZINC000738357921 598914663 /nfs/dbraw/zinc/91/46/63/598914663.db2.gz IXQHGBPKPPMQCX-UHFFFAOYSA-N -1 3 352.354 2.364 20 5 FEBDHM Cc1ccccc1O[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822366600 599065497 /nfs/dbraw/zinc/06/54/97/599065497.db2.gz OTRKEQIMFHRFKQ-LLVKDONJSA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1ccccc1O[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822366600 599065499 /nfs/dbraw/zinc/06/54/99/599065499.db2.gz OTRKEQIMFHRFKQ-LLVKDONJSA-N -1 3 355.358 2.358 20 5 FEBDHM O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738370978 599160628 /nfs/dbraw/zinc/16/06/28/599160628.db2.gz ZKVWRPKMOTZWLF-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738370978 599160630 /nfs/dbraw/zinc/16/06/30/599160630.db2.gz ZKVWRPKMOTZWLF-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822271346 599176148 /nfs/dbraw/zinc/17/61/48/599176148.db2.gz YACZVOMCBLXKHX-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822271346 599176150 /nfs/dbraw/zinc/17/61/50/599176150.db2.gz YACZVOMCBLXKHX-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1nccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737498954 598339932 /nfs/dbraw/zinc/33/99/32/598339932.db2.gz HXAQRLAILKZJIV-ZDUSSCGKSA-N -1 3 354.374 2.121 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC000738359381 598458076 /nfs/dbraw/zinc/45/80/76/598458076.db2.gz QKYUGUMJWSIGJH-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC000738359381 598458079 /nfs/dbraw/zinc/45/80/79/598458079.db2.gz QKYUGUMJWSIGJH-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000736798869 598468474 /nfs/dbraw/zinc/46/84/74/598468474.db2.gz JZFIQZOUZXBUGJ-UHFFFAOYSA-N -1 3 353.386 2.348 20 5 FEBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000736798869 598468475 /nfs/dbraw/zinc/46/84/75/598468475.db2.gz JZFIQZOUZXBUGJ-UHFFFAOYSA-N -1 3 353.386 2.348 20 5 FEBDHM CN(CCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736799037 598468725 /nfs/dbraw/zinc/46/87/25/598468725.db2.gz MUYAKHGOLZCJFN-UHFFFAOYSA-N -1 3 353.386 2.348 20 5 FEBDHM CN(CCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736799037 598468728 /nfs/dbraw/zinc/46/87/28/598468728.db2.gz MUYAKHGOLZCJFN-UHFFFAOYSA-N -1 3 353.386 2.348 20 5 FEBDHM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000737192547 598660165 /nfs/dbraw/zinc/66/01/65/598660165.db2.gz JYQMKXQLEQGZCJ-UHFFFAOYSA-N -1 3 357.355 2.144 20 5 FEBDHM CSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000737192547 598660167 /nfs/dbraw/zinc/66/01/67/598660167.db2.gz JYQMKXQLEQGZCJ-UHFFFAOYSA-N -1 3 357.355 2.144 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736298088 598735661 /nfs/dbraw/zinc/73/56/61/598735661.db2.gz OOZIOEYOYIHERK-SNVBAGLBSA-N -1 3 350.338 2.366 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736298088 598735662 /nfs/dbraw/zinc/73/56/62/598735662.db2.gz OOZIOEYOYIHERK-SNVBAGLBSA-N -1 3 350.338 2.366 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000738371743 598756791 /nfs/dbraw/zinc/75/67/91/598756791.db2.gz XQFDIMQKFDCRLZ-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM COc1ccc(C)cc1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821782247 599318310 /nfs/dbraw/zinc/31/83/10/599318310.db2.gz BXMRLRQHLJTQLX-UHFFFAOYSA-N -1 3 355.358 2.142 20 5 FEBDHM COc1ccc(C)cc1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821782247 599318312 /nfs/dbraw/zinc/31/83/12/599318312.db2.gz BXMRLRQHLJTQLX-UHFFFAOYSA-N -1 3 355.358 2.142 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826293084 607376608 /nfs/dbraw/zinc/37/66/08/607376608.db2.gz AAPWXSPOHUDBNI-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826293084 607376610 /nfs/dbraw/zinc/37/66/10/607376610.db2.gz AAPWXSPOHUDBNI-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820334742 599523331 /nfs/dbraw/zinc/52/33/31/599523331.db2.gz PIBMYWUASKAIRP-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820334742 599523335 /nfs/dbraw/zinc/52/33/35/599523335.db2.gz PIBMYWUASKAIRP-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826252248 607383395 /nfs/dbraw/zinc/38/33/95/607383395.db2.gz VZRANTKOJVIZRS-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826252248 607383398 /nfs/dbraw/zinc/38/33/98/607383398.db2.gz VZRANTKOJVIZRS-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM CC[C@H](C)[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859496 599552257 /nfs/dbraw/zinc/55/22/57/599552257.db2.gz FIBNHRCOTZGAJU-XPTSAGLGSA-N -1 3 357.374 2.142 20 5 FEBDHM CC[C@H](C)[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859496 599552258 /nfs/dbraw/zinc/55/22/58/599552258.db2.gz FIBNHRCOTZGAJU-XPTSAGLGSA-N -1 3 357.374 2.142 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000826253768 607405110 /nfs/dbraw/zinc/40/51/10/607405110.db2.gz CYHNYQDEUKAXNO-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000826253768 607405111 /nfs/dbraw/zinc/40/51/11/607405111.db2.gz CYHNYQDEUKAXNO-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)ccc1[N+](=O)[O-] ZINC000826177533 607410895 /nfs/dbraw/zinc/41/08/95/607410895.db2.gz LXJFWEMXZNZZPD-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC000826177533 607410896 /nfs/dbraw/zinc/41/08/96/607410896.db2.gz LXJFWEMXZNZZPD-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000821749737 607411072 /nfs/dbraw/zinc/41/10/72/607411072.db2.gz VWYVDRCSQGBHLR-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000821749737 607411073 /nfs/dbraw/zinc/41/10/73/607411073.db2.gz VWYVDRCSQGBHLR-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212534 607546251 /nfs/dbraw/zinc/54/62/51/607546251.db2.gz UCYFMADAHFKENY-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212534 607546252 /nfs/dbraw/zinc/54/62/52/607546252.db2.gz UCYFMADAHFKENY-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC1 ZINC000809808242 674510870 /nfs/dbraw/zinc/51/08/70/674510870.db2.gz LKTTYAFNJLZWQN-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446993 606104897 /nfs/dbraw/zinc/10/48/97/606104897.db2.gz GUJPIIYWZFKQBS-VAXYEAPXSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821446993 606104899 /nfs/dbraw/zinc/10/48/99/606104899.db2.gz GUJPIIYWZFKQBS-VAXYEAPXSA-N -1 3 364.431 2.267 20 5 FEBDHM Cc1cnc(OCc2cn3ccccc3c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822400083 606182459 /nfs/dbraw/zinc/18/24/59/606182459.db2.gz WBDNBRUDAXFLFN-UHFFFAOYSA-N -1 3 351.326 2.310 20 5 FEBDHM Cc1cnc(OCc2cn3ccccc3c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822400083 606182460 /nfs/dbraw/zinc/18/24/60/606182460.db2.gz WBDNBRUDAXFLFN-UHFFFAOYSA-N -1 3 351.326 2.310 20 5 FEBDHM O=[N+]([O-])c1cc(NCCc2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000823634229 606645161 /nfs/dbraw/zinc/64/51/61/606645161.db2.gz FAYKULSCSRPPSV-UHFFFAOYSA-N -1 3 350.342 2.077 20 5 FEBDHM O=[N+]([O-])c1cc(NCCc2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000823634229 606645162 /nfs/dbraw/zinc/64/51/62/606645162.db2.gz FAYKULSCSRPPSV-UHFFFAOYSA-N -1 3 350.342 2.077 20 5 FEBDHM COc1cccc2c1OC[C@H](Nc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)C2 ZINC000821877324 606645615 /nfs/dbraw/zinc/64/56/15/606645615.db2.gz HKTVXIBELAYLRD-GFCCVEGCSA-N -1 3 368.353 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cccs3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639807 606876701 /nfs/dbraw/zinc/87/67/01/606876701.db2.gz HLXIOAQHAPUTHL-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cccs3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639807 606876703 /nfs/dbraw/zinc/87/67/03/606876703.db2.gz HLXIOAQHAPUTHL-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821634968 607128326 /nfs/dbraw/zinc/12/83/26/607128326.db2.gz DFBYZBSINUSACU-UHFFFAOYSA-N -1 3 358.289 2.066 20 5 FEBDHM CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821634968 607128328 /nfs/dbraw/zinc/12/83/28/607128328.db2.gz DFBYZBSINUSACU-UHFFFAOYSA-N -1 3 358.289 2.066 20 5 FEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000821304544 607143694 /nfs/dbraw/zinc/14/36/94/607143694.db2.gz KCXAQOWXKRQKRF-UHFFFAOYSA-N -1 3 368.357 2.041 20 5 FEBDHM CN(Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1-c1nnn[n-]1 ZINC000826003922 607847639 /nfs/dbraw/zinc/84/76/39/607847639.db2.gz AEEFMNNARWQKNQ-UHFFFAOYSA-N -1 3 350.342 2.219 20 5 FEBDHM CN(Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1-c1nn[n-]n1 ZINC000826003922 607847640 /nfs/dbraw/zinc/84/76/40/607847640.db2.gz AEEFMNNARWQKNQ-UHFFFAOYSA-N -1 3 350.342 2.219 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN2CCOc1cccc(-c2nnn[n-]2)c1 ZINC000826500313 607958306 /nfs/dbraw/zinc/95/83/06/607958306.db2.gz TTXWZCCNRVULDS-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC000826500313 607958307 /nfs/dbraw/zinc/95/83/07/607958307.db2.gz TTXWZCCNRVULDS-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826098740 608238220 /nfs/dbraw/zinc/23/82/20/608238220.db2.gz NIQMETZEDJSIEF-LLVKDONJSA-N -1 3 374.401 2.191 20 5 FEBDHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826098740 608238221 /nfs/dbraw/zinc/23/82/21/608238221.db2.gz NIQMETZEDJSIEF-LLVKDONJSA-N -1 3 374.401 2.191 20 5 FEBDHM C[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824478500 608433086 /nfs/dbraw/zinc/43/30/86/608433086.db2.gz HOXHDXFRFQJDLT-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824478500 608433088 /nfs/dbraw/zinc/43/30/88/608433088.db2.gz HOXHDXFRFQJDLT-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470608 608485492 /nfs/dbraw/zinc/48/54/92/608485492.db2.gz WROJRTGZEIDSMB-UHFFFAOYSA-N -1 3 365.353 2.033 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470608 608485493 /nfs/dbraw/zinc/48/54/93/608485493.db2.gz WROJRTGZEIDSMB-UHFFFAOYSA-N -1 3 365.353 2.033 20 5 FEBDHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824523313 608568355 /nfs/dbraw/zinc/56/83/55/608568355.db2.gz ZJCGBIOYGUPEIY-QMMMGPOBSA-N -1 3 373.760 2.314 20 5 FEBDHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824523313 608568357 /nfs/dbraw/zinc/56/83/57/608568357.db2.gz ZJCGBIOYGUPEIY-QMMMGPOBSA-N -1 3 373.760 2.314 20 5 FEBDHM Cc1cccn2cc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])nc12 ZINC000826307931 608667590 /nfs/dbraw/zinc/66/75/90/608667590.db2.gz CANHWZOCTHJESI-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1cccn2cc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])nc12 ZINC000826307931 608667591 /nfs/dbraw/zinc/66/75/91/608667591.db2.gz CANHWZOCTHJESI-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM COc1ccc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000826193290 608675253 /nfs/dbraw/zinc/67/52/53/608675253.db2.gz YZOJDRALPYYDCH-UHFFFAOYSA-N -1 3 360.399 2.477 20 5 FEBDHM COc1ccc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000826193290 608675255 /nfs/dbraw/zinc/67/52/55/608675255.db2.gz YZOJDRALPYYDCH-UHFFFAOYSA-N -1 3 360.399 2.477 20 5 FEBDHM Nc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826396268 609154732 /nfs/dbraw/zinc/15/47/32/609154732.db2.gz PDJQKZDRRVQXJO-UHFFFAOYSA-N -1 3 374.744 2.368 20 5 FEBDHM Nc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826396268 609154734 /nfs/dbraw/zinc/15/47/34/609154734.db2.gz PDJQKZDRRVQXJO-UHFFFAOYSA-N -1 3 374.744 2.368 20 5 FEBDHM C[C@H](F)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815067444 674910433 /nfs/dbraw/zinc/91/04/33/674910433.db2.gz HOORYVHUNDFAPD-ZETCQYMHSA-N -1 3 355.185 2.384 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000608780136 675903195 /nfs/dbraw/zinc/90/31/95/675903195.db2.gz CQSYOZBRWJVWFJ-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC000578763597 671688171 /nfs/dbraw/zinc/68/81/71/671688171.db2.gz BXWJRVJGKVUHLQ-UHFFFAOYSA-N -1 3 356.429 2.140 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccc(F)cc1 ZINC000119314708 671896504 /nfs/dbraw/zinc/89/65/04/671896504.db2.gz MIRQWIPHDDPJGJ-PSLIRLAXSA-N -1 3 372.349 2.273 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc([N+](=O)[O-])c1F ZINC000130021251 672069332 /nfs/dbraw/zinc/06/93/32/672069332.db2.gz HEXXYHVSPRKUBN-UHFFFAOYSA-N -1 3 351.319 2.114 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc([N+](=O)[O-])c1F ZINC000130021251 672069336 /nfs/dbraw/zinc/06/93/36/672069336.db2.gz HEXXYHVSPRKUBN-UHFFFAOYSA-N -1 3 351.319 2.114 20 5 FEBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583233153 672075769 /nfs/dbraw/zinc/07/57/69/672075769.db2.gz WMDCRWICCLDFLR-HTQZYQBOSA-N -1 3 356.322 2.315 20 5 FEBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173091342 672348000 /nfs/dbraw/zinc/34/80/00/672348000.db2.gz GCAWRIBTNYBSSW-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000178376608 672391074 /nfs/dbraw/zinc/39/10/74/672391074.db2.gz SJIOHHUYIXHOPN-UHFFFAOYSA-N -1 3 369.786 2.409 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](CO)CC1CC1 ZINC000591327370 672670438 /nfs/dbraw/zinc/67/04/38/672670438.db2.gz JFCPQGOIKANEMT-SNVBAGLBSA-N -1 3 368.333 2.053 20 5 FEBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000591715823 672704414 /nfs/dbraw/zinc/70/44/14/672704414.db2.gz YADKIPYNWFHANI-GFCCVEGCSA-N -1 3 370.408 2.239 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000593572637 672947319 /nfs/dbraw/zinc/94/73/19/672947319.db2.gz OFXXUCOUDYYTRF-BBRMVZONSA-N -1 3 363.395 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)nc1 ZINC000593577536 672949127 /nfs/dbraw/zinc/94/91/27/672949127.db2.gz KRYIDOWQBYCLHX-ZFWWWQNUSA-N -1 3 363.395 2.188 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000725994535 673100910 /nfs/dbraw/zinc/10/09/10/673100910.db2.gz ZEKZQUUYINUVKY-UHFFFAOYSA-N -1 3 368.342 2.462 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCN(CC2CCCC2)C1 ZINC000462569733 673263695 /nfs/dbraw/zinc/26/36/95/673263695.db2.gz HRTHWHXALXDBEK-CYBMUJFWSA-N -1 3 371.434 2.277 20 5 FEBDHM COC(=O)c1cnc([C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)s1 ZINC000596568836 673394342 /nfs/dbraw/zinc/39/43/42/673394342.db2.gz XFOFGOCNQMFKGN-VIFPVBQESA-N -1 3 364.383 2.323 20 5 FEBDHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000543253222 673636194 /nfs/dbraw/zinc/63/61/94/673636194.db2.gz HENWXHRHCIWMFQ-DTWKUNHWSA-N -1 3 364.807 2.114 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)c(F)c1 ZINC000599390524 673668331 /nfs/dbraw/zinc/66/83/31/673668331.db2.gz JHXFUEPOZSRLNV-CQSZACIVSA-N -1 3 371.434 2.419 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000761103239 680711099 /nfs/dbraw/zinc/71/10/99/680711099.db2.gz TYMYHNPULZETFG-SECBINFHSA-N -1 3 368.367 2.322 20 5 FEBDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1 ZINC000761907915 680734063 /nfs/dbraw/zinc/73/40/63/680734063.db2.gz QPJGTGATWZXWRQ-UHFFFAOYSA-N -1 3 370.774 2.151 20 5 FEBDHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000751278667 680165623 /nfs/dbraw/zinc/16/56/23/680165623.db2.gz DPQLCZLLFGXCAO-SNVBAGLBSA-N -1 3 370.349 2.299 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOC1CCC1 ZINC000841496878 680887696 /nfs/dbraw/zinc/88/76/96/680887696.db2.gz BUEDHSBVJFAETM-UHFFFAOYSA-N -1 3 368.333 2.461 20 5 FEBDHM Cc1ccnc2c1cccc2S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000777640214 681516193 /nfs/dbraw/zinc/51/61/93/681516193.db2.gz MPBXDHROLMXNBX-UHFFFAOYSA-N -1 3 359.367 2.152 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000848509638 681567410 /nfs/dbraw/zinc/56/74/10/681567410.db2.gz LMOMAKKHUOBPST-QWHCGFSZSA-N -1 3 357.407 2.029 20 5 FEBDHM O=C([N-][C@@H]1CCCc2c[nH]nc21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586370 681584040 /nfs/dbraw/zinc/58/40/40/681584040.db2.gz YKCUOJAXYZMBGK-GFCCVEGCSA-N -1 3 352.297 2.483 20 5 FEBDHM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cccc1[N+](=O)[O-] ZINC000790888807 682710473 /nfs/dbraw/zinc/71/04/73/682710473.db2.gz GEZVEGKBHDIGGF-UHFFFAOYSA-N -1 3 357.369 2.351 20 5 FEBDHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228008 683325684 /nfs/dbraw/zinc/32/56/84/683325684.db2.gz CZMMRTLGEMAFQZ-VIFPVBQESA-N -1 3 367.830 2.396 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000867734475 684365786 /nfs/dbraw/zinc/36/57/86/684365786.db2.gz UHAZCSUWIIVELL-YPMHNXCESA-N -1 3 360.457 2.448 20 5 FEBDHM Cc1cc(=O)[n-]c(N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000884703487 687907510 /nfs/dbraw/zinc/90/75/10/687907510.db2.gz BDHULLWBLVQUOG-UHFFFAOYSA-N -1 3 351.313 2.004 20 5 FEBDHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000032097763 539929094 /nfs/dbraw/zinc/92/90/94/539929094.db2.gz APHBETDODWELGZ-UHFFFAOYSA-N -1 3 365.342 2.419 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)N1CCC[C@H](C)C1 ZINC000046034338 540238616 /nfs/dbraw/zinc/23/86/16/540238616.db2.gz XWHZKFVXGYHFEB-GXTWGEPZSA-N -1 3 355.460 2.302 20 5 FEBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000055296000 540644863 /nfs/dbraw/zinc/64/48/63/540644863.db2.gz GMBNIIAZMUVOCP-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM COCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000056044761 540697073 /nfs/dbraw/zinc/69/70/73/540697073.db2.gz PDOSYWDLUGQOMH-UHFFFAOYSA-N -1 3 354.359 2.359 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000067055579 541410669 /nfs/dbraw/zinc/41/06/69/541410669.db2.gz ZAVXQRVCQUMCQL-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1ccc(-c2nc(Sc3c([N+](=O)[O-])ncn3C)n[n-]2)c(OC)c1 ZINC000069000480 541647464 /nfs/dbraw/zinc/64/74/64/541647464.db2.gz VEMWQLVEOXQUFK-UHFFFAOYSA-N -1 3 362.371 2.282 20 5 FEBDHM CS(=O)(=O)Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000069329603 541677925 /nfs/dbraw/zinc/67/79/25/541677925.db2.gz TVSOBSNUYPDQNX-UHFFFAOYSA-N -1 3 374.378 2.268 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000120701480 543683821 /nfs/dbraw/zinc/68/38/21/543683821.db2.gz YOVOPVGIBUCKMG-UHFFFAOYSA-N -1 3 371.459 2.122 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000123084078 543741277 /nfs/dbraw/zinc/74/12/77/543741277.db2.gz UIGUENAZIJCIMV-NSHDSACASA-N -1 3 354.409 2.247 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000124492077 543825723 /nfs/dbraw/zinc/82/57/23/543825723.db2.gz CABAOTSMRQSKAY-CYBMUJFWSA-N -1 3 350.462 2.430 20 5 FEBDHM O=C(NC1CCN(CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000129336892 544106054 /nfs/dbraw/zinc/10/60/54/544106054.db2.gz IGHOHXKAZITRSA-UHFFFAOYSA-N -1 3 370.409 2.132 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000131359996 544187482 /nfs/dbraw/zinc/18/74/82/544187482.db2.gz NHKFJACTXNRQHT-INIZCTEOSA-N -1 3 350.396 2.402 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C ZINC000152193205 544623563 /nfs/dbraw/zinc/62/35/63/544623563.db2.gz GVRYRVPUSLRBME-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000152825051 544700027 /nfs/dbraw/zinc/70/00/27/544700027.db2.gz YRGJSJBLIRCAEN-UHFFFAOYSA-N -1 3 365.198 2.077 20 5 FEBDHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189131598 328130392 /nfs/dbraw/zinc/13/03/92/328130392.db2.gz WHEXRGJIUOEINX-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c1[N+](=O)[O-] ZINC000189311621 328140284 /nfs/dbraw/zinc/14/02/84/328140284.db2.gz HIWRNLIYUGYKOU-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189852384 328171745 /nfs/dbraw/zinc/17/17/45/328171745.db2.gz XNFZACMMCQCMLP-UHFFFAOYSA-N -1 3 355.350 2.404 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)cc1C ZINC000080310636 325128242 /nfs/dbraw/zinc/12/82/42/325128242.db2.gz ULPAAABEGXUKIY-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000080310489 325128513 /nfs/dbraw/zinc/12/85/13/325128513.db2.gz SKXWKAJZGGSSMG-UHFFFAOYSA-N -1 3 357.775 2.056 20 5 FEBDHM Cn1c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2nc1C1CC1 ZINC000089988950 325347573 /nfs/dbraw/zinc/34/75/73/325347573.db2.gz RGCJUCRYUIZOCR-UHFFFAOYSA-N -1 3 353.338 2.300 20 5 FEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000107310012 325624469 /nfs/dbraw/zinc/62/44/69/325624469.db2.gz HYOXBXSSKXSFOV-UHFFFAOYSA-N -1 3 359.791 2.374 20 5 FEBDHM Cc1cc(S(=O)(=O)N(C)C)cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000123547606 326435446 /nfs/dbraw/zinc/43/54/46/326435446.db2.gz PFZFNRGTTSXKTR-UHFFFAOYSA-N -1 3 367.383 2.307 20 5 FEBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000127163512 326501326 /nfs/dbraw/zinc/50/13/26/326501326.db2.gz BVEQKDOFSXUWQQ-UHFFFAOYSA-N -1 3 367.358 2.287 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c(Cl)c1 ZINC000129254109 326537433 /nfs/dbraw/zinc/53/74/33/326537433.db2.gz BGHUMZRDSLSDFG-RTXFEEFZSA-N -1 3 360.819 2.484 20 5 FEBDHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157146574 326856289 /nfs/dbraw/zinc/85/62/89/326856289.db2.gz MAKICXVVSRBNHW-NSHDSACASA-N -1 3 365.415 2.123 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCC2)c(C(F)(F)F)c1 ZINC000158343267 326893012 /nfs/dbraw/zinc/89/30/12/326893012.db2.gz SRUKAAXHVJONNE-UHFFFAOYSA-N -1 3 368.333 2.197 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c1C ZINC000158435415 326895747 /nfs/dbraw/zinc/89/57/47/326895747.db2.gz QDLIKUPEVXIHQL-AWEZNQCLSA-N -1 3 350.396 2.224 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1c(C)noc1C ZINC000159831825 326943457 /nfs/dbraw/zinc/94/34/57/326943457.db2.gz QCZUNOLXSVKUQS-SECBINFHSA-N -1 3 369.399 2.118 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1C ZINC000162652999 327030893 /nfs/dbraw/zinc/03/08/93/327030893.db2.gz SBDCUZGCCXCANT-ZFWWWQNUSA-N -1 3 354.428 2.448 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 ZINC000162779609 327034537 /nfs/dbraw/zinc/03/45/37/327034537.db2.gz KIXMHBVBPRWZIP-MFKMUULPSA-N -1 3 360.819 2.484 20 5 FEBDHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000163831924 327059718 /nfs/dbraw/zinc/05/97/18/327059718.db2.gz KBKAXEFBQNHGAF-IUODEOHRSA-N -1 3 350.396 2.385 20 5 FEBDHM CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)C1CC1 ZINC000265507738 329134233 /nfs/dbraw/zinc/13/42/33/329134233.db2.gz FJBBHOBPBUYREP-UHFFFAOYSA-N -1 3 370.365 2.459 20 5 FEBDHM COc1ccc([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c([N+](=O)[O-])c1 ZINC000268745394 329452099 /nfs/dbraw/zinc/45/20/99/329452099.db2.gz VGTRFEQJTWAGEV-UHFFFAOYSA-N -1 3 361.358 2.062 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000270625122 329616448 /nfs/dbraw/zinc/61/64/48/329616448.db2.gz KWWJGGNEMYENIU-ABAIWWIYSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000271712907 329718035 /nfs/dbraw/zinc/71/80/35/329718035.db2.gz RVULHSQCDACDET-DGCLKSJQSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000271712909 329718190 /nfs/dbraw/zinc/71/81/90/329718190.db2.gz RVULHSQCDACDET-WCQYABFASA-N -1 3 358.416 2.085 20 5 FEBDHM CC(C)c1ccc(C(=O)Nc2nnc(SCCO)[n-]2)cc1[N+](=O)[O-] ZINC000275943148 330105422 /nfs/dbraw/zinc/10/54/22/330105422.db2.gz JHIQNBZDLGYROE-UHFFFAOYSA-N -1 3 351.388 2.173 20 5 FEBDHM CC(C)c1ccc(C(=O)Nc2nc(SCCO)n[n-]2)cc1[N+](=O)[O-] ZINC000275943148 330105423 /nfs/dbraw/zinc/10/54/23/330105423.db2.gz JHIQNBZDLGYROE-UHFFFAOYSA-N -1 3 351.388 2.173 20 5 FEBDHM CC(C)c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1[N+](=O)[O-] ZINC000275943148 330105424 /nfs/dbraw/zinc/10/54/24/330105424.db2.gz JHIQNBZDLGYROE-UHFFFAOYSA-N -1 3 351.388 2.173 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000155777105 545568944 /nfs/dbraw/zinc/56/89/44/545568944.db2.gz GXWUCXAXIHUCGT-GDLCADMTSA-N -1 3 372.830 2.484 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1c(F)cccc1CO ZINC000157392848 545735473 /nfs/dbraw/zinc/73/54/73/545735473.db2.gz GKGSYGYBRWSARK-UHFFFAOYSA-N -1 3 354.359 2.211 20 5 FEBDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000479175948 561183513 /nfs/dbraw/zinc/18/35/13/561183513.db2.gz WFGUDOFRFUREBO-AWEZNQCLSA-N -1 3 370.427 2.307 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C ZINC000480726779 561215293 /nfs/dbraw/zinc/21/52/93/561215293.db2.gz IDOCSYKMHMEWRK-LLVKDONJSA-N -1 3 374.415 2.002 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@](C)(O)C1CCCCC1 ZINC000480904429 561219967 /nfs/dbraw/zinc/21/99/67/561219967.db2.gz XXRGCDIXZYJVMM-MRXNPFEDSA-N -1 3 372.443 2.213 20 5 FEBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000480866677 561218802 /nfs/dbraw/zinc/21/88/02/561218802.db2.gz BYXXCWAWNDQAML-CABCVRRESA-N -1 3 372.443 2.475 20 5 FEBDHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480948976 561221037 /nfs/dbraw/zinc/22/10/37/561221037.db2.gz GTOVZWRYIUYVTF-LBPRGKRZSA-N -1 3 358.416 2.078 20 5 FEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CC(C)C ZINC000480979045 561221885 /nfs/dbraw/zinc/22/18/85/561221885.db2.gz DPIVWFZRDJOFFP-CYBMUJFWSA-N -1 3 372.443 2.325 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177638893 546658793 /nfs/dbraw/zinc/65/87/93/546658793.db2.gz YKRIXTMGNJODOQ-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000178329652 546775415 /nfs/dbraw/zinc/77/54/15/546775415.db2.gz BQCGVTXEQVARSF-LBPRGKRZSA-N -1 3 352.416 2.293 20 5 FEBDHM 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Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367770631 556134548 /nfs/dbraw/zinc/13/45/48/556134548.db2.gz HRAMVJRHPQZWEY-LBPRGKRZSA-N -1 3 374.372 2.399 20 5 FEBDHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000368734899 556401224 /nfs/dbraw/zinc/40/12/24/556401224.db2.gz XPKGDQSYYIHKSX-UHFFFAOYSA-N -1 3 363.334 2.118 20 5 FEBDHM COc1cc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)ccc1[N+](=O)[O-] ZINC000368736796 556401710 /nfs/dbraw/zinc/40/17/10/556401710.db2.gz XXXVYLJNCBRSLQ-UHFFFAOYSA-N -1 3 360.355 2.406 20 5 FEBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCN(c2ccncc2)CC1 ZINC000372329285 557441317 /nfs/dbraw/zinc/44/13/17/557441317.db2.gz GOOYJZJKFAQIJQ-UHFFFAOYSA-N -1 3 356.382 2.436 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520353037 562154189 /nfs/dbraw/zinc/15/41/89/562154189.db2.gz UWFWLNMOPLGOLF-UHFFFAOYSA-N -1 3 364.321 2.451 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520353037 562154190 /nfs/dbraw/zinc/15/41/90/562154190.db2.gz UWFWLNMOPLGOLF-UHFFFAOYSA-N -1 3 364.321 2.451 20 5 FEBDHM Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098606 557977626 /nfs/dbraw/zinc/97/76/26/557977626.db2.gz CBEYEYYXBMACQZ-LRDDRELGSA-N -1 3 370.409 2.254 20 5 FEBDHM Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375677736 558066092 /nfs/dbraw/zinc/06/60/92/558066092.db2.gz ZOXZLBDVXPJOMH-JSGCOSHPSA-N -1 3 361.329 2.091 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nncn2-c2cccnc2)cc1[N+](=O)[O-] ZINC000377171804 558281322 /nfs/dbraw/zinc/28/13/22/558281322.db2.gz LYZCVEDYHVNCSA-UHFFFAOYSA-N -1 3 369.297 2.039 20 5 FEBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000408026507 558639373 /nfs/dbraw/zinc/63/93/73/558639373.db2.gz YMCZHGQAFOMJSZ-WDEREUQCSA-N -1 3 356.400 2.223 20 5 FEBDHM C[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCOC1 ZINC000416454844 559314195 /nfs/dbraw/zinc/31/41/95/559314195.db2.gz SURKKODPZFTORX-LBPRGKRZSA-N -1 3 368.333 2.461 20 5 FEBDHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416469315 559315599 /nfs/dbraw/zinc/31/55/99/559315599.db2.gz JAXCGOCUKFATNV-PSASIEDQSA-N -1 3 368.333 2.317 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2Cl)NC(=O)CO3)n1 ZINC000427287192 559752378 /nfs/dbraw/zinc/75/23/78/559752378.db2.gz JLFZRNUWPAVOIM-UHFFFAOYSA-N -1 3 365.733 2.048 20 5 FEBDHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000431636354 559843066 /nfs/dbraw/zinc/84/30/66/559843066.db2.gz VJTYGRKUXHPFTN-LBPRGKRZSA-N -1 3 371.459 2.042 20 5 FEBDHM CC(C)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000436737891 559950638 /nfs/dbraw/zinc/95/06/38/559950638.db2.gz KHFGGWUUQVTHKQ-UHFFFAOYSA-N -1 3 371.393 2.124 20 5 FEBDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000439812896 560000291 /nfs/dbraw/zinc/00/02/91/560000291.db2.gz QRKGAQGDBDDVDP-UHFFFAOYSA-N -1 3 371.346 2.138 20 5 FEBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000443749818 560091724 /nfs/dbraw/zinc/09/17/24/560091724.db2.gz BIEIFNJASMOEIU-SNVBAGLBSA-N -1 3 371.440 2.378 20 5 FEBDHM CCN(CC)C(=O)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444827858 560121724 /nfs/dbraw/zinc/12/17/24/560121724.db2.gz KRAQOTUTXJIVOP-UHFFFAOYSA-N -1 3 358.354 2.430 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000444895604 560124201 /nfs/dbraw/zinc/12/42/01/560124201.db2.gz BVGIJXULHCDYLS-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000444895604 560124202 /nfs/dbraw/zinc/12/42/02/560124202.db2.gz BVGIJXULHCDYLS-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000444895604 560124204 /nfs/dbraw/zinc/12/42/04/560124204.db2.gz BVGIJXULHCDYLS-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029196 560155437 /nfs/dbraw/zinc/15/54/37/560155437.db2.gz KTEWPYKOEXWJGH-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000451332415 560300718 /nfs/dbraw/zinc/30/07/18/560300718.db2.gz VXYWKIDTJUDUNS-OAHLLOKOSA-N -1 3 358.354 2.771 20 5 FEBDHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451834737 560331456 /nfs/dbraw/zinc/33/14/56/560331456.db2.gz JHLVIQZIRQLXGS-HNNXBMFYSA-N -1 3 372.443 2.033 20 5 FEBDHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451861102 560333052 /nfs/dbraw/zinc/33/30/52/560333052.db2.gz NADBZCMTJVCRFV-OLZOCXBDSA-N -1 3 370.427 2.303 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000451862803 560333152 /nfs/dbraw/zinc/33/31/52/560333152.db2.gz VQUNQVRPGFHEJZ-CABCVRRESA-N -1 3 368.455 2.287 20 5 FEBDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451936620 560339108 /nfs/dbraw/zinc/33/91/08/560339108.db2.gz YNVCXBRVFSDHME-GFCCVEGCSA-N -1 3 352.416 2.468 20 5 FEBDHM CC(C)CCCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000457575168 560575881 /nfs/dbraw/zinc/57/58/81/560575881.db2.gz NKVUFIPUALBAQC-UHFFFAOYSA-N -1 3 371.459 2.206 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000462148797 560799256 /nfs/dbraw/zinc/79/92/56/560799256.db2.gz AITYJIVNOJOZFI-UHFFFAOYSA-N -1 3 370.456 2.056 20 5 FEBDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC000466528772 560889056 /nfs/dbraw/zinc/88/90/56/560889056.db2.gz OZFVSYGKYQFYPC-NSHDSACASA-N -1 3 370.408 2.467 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000469166808 560948770 /nfs/dbraw/zinc/94/87/70/560948770.db2.gz JWZNVCNNWKQUQK-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474775132 561082555 /nfs/dbraw/zinc/08/25/55/561082555.db2.gz OVQXAIVAINAMMM-UHFFFAOYSA-N -1 3 361.310 2.057 20 5 FEBDHM COc1cc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])ncc1Br ZINC000476979777 561133557 /nfs/dbraw/zinc/13/35/57/561133557.db2.gz KDTYNJCMONJQIQ-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM CCOC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000532024167 562464292 /nfs/dbraw/zinc/46/42/92/562464292.db2.gz UQKZEHOQBVXFKP-UHFFFAOYSA-N -1 3 355.310 2.295 20 5 FEBDHM COC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1[O-] ZINC000533965206 562522488 /nfs/dbraw/zinc/52/24/88/562522488.db2.gz REZPAVIQIUNVJO-UHFFFAOYSA-N -1 3 360.278 2.068 20 5 FEBDHM CCC(CC)[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000534884281 562544532 /nfs/dbraw/zinc/54/45/32/562544532.db2.gz RWZNXTVCBNHROC-GFCCVEGCSA-N -1 3 371.459 2.062 20 5 FEBDHM COC[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000568063378 567823686 /nfs/dbraw/zinc/82/36/86/567823686.db2.gz DVXREVTWGXEDAS-QGZVFWFLSA-N -1 3 361.354 2.173 20 5 FEBDHM COC[C@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000568063377 567823696 /nfs/dbraw/zinc/82/36/96/567823696.db2.gz DVXREVTWGXEDAS-KRWDZBQOSA-N -1 3 361.354 2.173 20 5 FEBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000569651703 568411355 /nfs/dbraw/zinc/41/13/55/568411355.db2.gz NQPNPPWLINKOQV-CYBMUJFWSA-N -1 3 362.835 2.324 20 5 FEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736037446 598884247 /nfs/dbraw/zinc/88/42/47/598884247.db2.gz GZSVVUZOXBBIQL-LLVKDONJSA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736037446 598884248 /nfs/dbraw/zinc/88/42/48/598884248.db2.gz GZSVVUZOXBBIQL-LLVKDONJSA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000736040851 598887734 /nfs/dbraw/zinc/88/77/34/598887734.db2.gz ROSJLVBGFNGJNL-LLVKDONJSA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000736040851 598887735 /nfs/dbraw/zinc/88/77/35/598887735.db2.gz ROSJLVBGFNGJNL-LLVKDONJSA-N -1 3 369.337 2.399 20 5 FEBDHM Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822226585 599168787 /nfs/dbraw/zinc/16/87/87/599168787.db2.gz ZFOUAFDUIWYSAY-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822226585 599168788 /nfs/dbraw/zinc/16/87/88/599168788.db2.gz ZFOUAFDUIWYSAY-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM CC(=O)Nc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819818005 599192000 /nfs/dbraw/zinc/19/20/00/599192000.db2.gz NWOJAUUBOAYBTD-UHFFFAOYSA-N -1 3 357.355 2.280 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1nc2sccn2c1[N+](=O)[O-] ZINC000821703074 599201754 /nfs/dbraw/zinc/20/17/54/599201754.db2.gz NLAKVVNOZIWNEE-UHFFFAOYSA-N -1 3 359.327 2.285 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1nc2sccn2c1[N+](=O)[O-] ZINC000821703074 599201756 /nfs/dbraw/zinc/20/17/56/599201756.db2.gz NLAKVVNOZIWNEE-UHFFFAOYSA-N -1 3 359.327 2.285 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000737040593 598289599 /nfs/dbraw/zinc/28/95/99/598289599.db2.gz ILKGSUPQOMCELV-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000737040593 598289601 /nfs/dbraw/zinc/28/96/01/598289601.db2.gz ILKGSUPQOMCELV-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000738371722 598567394 /nfs/dbraw/zinc/56/73/94/598567394.db2.gz XLDVFGGANFBVSK-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000738371722 598567395 /nfs/dbraw/zinc/56/73/95/598567395.db2.gz XLDVFGGANFBVSK-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM COc1cccc2c1OC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737143927 598613725 /nfs/dbraw/zinc/61/37/25/598613725.db2.gz VRTHISHGZRCOMM-LLVKDONJSA-N -1 3 368.353 2.199 20 5 FEBDHM COc1cccc2c1OC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737143927 598613726 /nfs/dbraw/zinc/61/37/26/598613726.db2.gz VRTHISHGZRCOMM-LLVKDONJSA-N -1 3 368.353 2.199 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737900528 598710242 /nfs/dbraw/zinc/71/02/42/598710242.db2.gz MLWFASSYSILCAC-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737900528 598710243 /nfs/dbraw/zinc/71/02/43/598710243.db2.gz MLWFASSYSILCAC-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM COC(=O)c1cc(OCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000736951990 598752220 /nfs/dbraw/zinc/75/22/20/598752220.db2.gz XFAYYDXFNNCOQM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1cc(OCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000736951990 598752221 /nfs/dbraw/zinc/75/22/21/598752221.db2.gz XFAYYDXFNNCOQM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737918462 598779856 /nfs/dbraw/zinc/77/98/56/598779856.db2.gz FYIBMSKQUQFSKQ-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820769495 599525622 /nfs/dbraw/zinc/52/56/22/599525622.db2.gz USDCUZUVUPZRDM-SECBINFHSA-N -1 3 357.399 2.265 20 5 FEBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820769495 599525624 /nfs/dbraw/zinc/52/56/24/599525624.db2.gz USDCUZUVUPZRDM-SECBINFHSA-N -1 3 357.399 2.265 20 5 FEBDHM O=C1C[C@H](c2cccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])c2)CN1 ZINC000823521135 607388587 /nfs/dbraw/zinc/38/85/87/607388587.db2.gz QLCXZQWGFHDHOK-LBPRGKRZSA-N -1 3 365.353 2.122 20 5 FEBDHM O=C1C[C@H](c2cccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])c2)CN1 ZINC000823521135 607388588 /nfs/dbraw/zinc/38/85/88/607388588.db2.gz QLCXZQWGFHDHOK-LBPRGKRZSA-N -1 3 365.353 2.122 20 5 FEBDHM O=C([O-])[C@H](c1ccc(F)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000739519317 600564705 /nfs/dbraw/zinc/56/47/05/600564705.db2.gz YJPWFGGEMMFNIS-CJNGLKHVSA-N -1 3 360.345 2.441 20 5 FEBDHM O=C([O-])CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(F)c1 ZINC000593747351 601114105 /nfs/dbraw/zinc/11/41/05/601114105.db2.gz XANHAOBQKJPHOI-UHFFFAOYSA-N -1 3 354.313 2.046 20 5 FEBDHM O=[N+]([O-])c1cccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000826499234 607518327 /nfs/dbraw/zinc/51/83/27/607518327.db2.gz AJLNXOATYOLCMV-UHFFFAOYSA-N -1 3 351.370 2.335 20 5 FEBDHM O=[N+]([O-])c1cccc(CN(Cc2ccnc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC000826499234 607518329 /nfs/dbraw/zinc/51/83/29/607518329.db2.gz AJLNXOATYOLCMV-UHFFFAOYSA-N -1 3 351.370 2.335 20 5 FEBDHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826296018 607522723 /nfs/dbraw/zinc/52/27/23/607522723.db2.gz GWEBXUWPPAPVKB-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826296018 607522724 /nfs/dbraw/zinc/52/27/24/607522724.db2.gz GWEBXUWPPAPVKB-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCOc2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000826500778 607736886 /nfs/dbraw/zinc/73/68/86/607736886.db2.gz LVGXKPDGWWNDEL-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCOc2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000826500778 607736887 /nfs/dbraw/zinc/73/68/87/607736887.db2.gz LVGXKPDGWWNDEL-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM Cc1ccc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)c([N+](=O)[O-])c1 ZINC000822242672 606444714 /nfs/dbraw/zinc/44/47/14/606444714.db2.gz TZQKHZZBRFHVMI-UHFFFAOYSA-N -1 3 357.399 2.290 20 5 FEBDHM Cc1ccc(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC000822242672 606444716 /nfs/dbraw/zinc/44/47/16/606444716.db2.gz TZQKHZZBRFHVMI-UHFFFAOYSA-N -1 3 357.399 2.290 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820813266 606508338 /nfs/dbraw/zinc/50/83/38/606508338.db2.gz CHYLWTJTPCSPKZ-NSHDSACASA-N -1 3 364.365 2.295 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820813266 606508340 /nfs/dbraw/zinc/50/83/40/606508340.db2.gz CHYLWTJTPCSPKZ-NSHDSACASA-N -1 3 364.365 2.295 20 5 FEBDHM C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820397252 606860860 /nfs/dbraw/zinc/86/08/60/606860860.db2.gz NEIONHKJSIKKCR-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820397252 606860861 /nfs/dbraw/zinc/86/08/61/606860861.db2.gz NEIONHKJSIKKCR-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820774281 607115855 /nfs/dbraw/zinc/11/58/55/607115855.db2.gz AFCGAVYXTUGSCQ-NOZJJQNGSA-N -1 3 373.398 2.198 20 5 FEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820774281 607115857 /nfs/dbraw/zinc/11/58/57/607115857.db2.gz AFCGAVYXTUGSCQ-NOZJJQNGSA-N -1 3 373.398 2.198 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823639923 607226108 /nfs/dbraw/zinc/22/61/08/607226108.db2.gz MASINXZYELHJQT-MRXNPFEDSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823639923 607226109 /nfs/dbraw/zinc/22/61/09/607226109.db2.gz MASINXZYELHJQT-MRXNPFEDSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1cc(F)ccc1F ZINC000826499432 607876702 /nfs/dbraw/zinc/87/67/02/607876702.db2.gz INCQOPQDWCYXRC-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1cc(F)ccc1F ZINC000826499432 607876703 /nfs/dbraw/zinc/87/67/03/607876703.db2.gz INCQOPQDWCYXRC-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470107 607950369 /nfs/dbraw/zinc/95/03/69/607950369.db2.gz CEQRHODQGBYKRE-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470107 607950370 /nfs/dbraw/zinc/95/03/70/607950370.db2.gz CEQRHODQGBYKRE-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000826499724 607968518 /nfs/dbraw/zinc/96/85/18/607968518.db2.gz UQMPTANPUSLDQG-UHFFFAOYSA-N -1 3 351.370 2.313 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000826499724 607968519 /nfs/dbraw/zinc/96/85/19/607968519.db2.gz UQMPTANPUSLDQG-UHFFFAOYSA-N -1 3 351.370 2.313 20 5 FEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826408801 608005037 /nfs/dbraw/zinc/00/50/37/608005037.db2.gz VQWHOOIBVZOLOB-UHFFFAOYSA-N -1 3 366.381 2.066 20 5 FEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826408801 608005038 /nfs/dbraw/zinc/00/50/38/608005038.db2.gz VQWHOOIBVZOLOB-UHFFFAOYSA-N -1 3 366.381 2.066 20 5 FEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826498363 608069250 /nfs/dbraw/zinc/06/92/50/608069250.db2.gz RKVRFCMUFKZOKS-QGZVFWFLSA-N -1 3 366.381 2.348 20 5 FEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826498363 608069251 /nfs/dbraw/zinc/06/92/51/608069251.db2.gz RKVRFCMUFKZOKS-QGZVFWFLSA-N -1 3 366.381 2.348 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000825880215 608128345 /nfs/dbraw/zinc/12/83/45/608128345.db2.gz YXJFIAWSNMEMGS-UHFFFAOYSA-N -1 3 374.382 2.259 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000825880215 608128346 /nfs/dbraw/zinc/12/83/46/608128346.db2.gz YXJFIAWSNMEMGS-UHFFFAOYSA-N -1 3 374.382 2.259 20 5 FEBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)nc1 ZINC000826282637 608161686 /nfs/dbraw/zinc/16/16/86/608161686.db2.gz YNAJLDKBZSGZFN-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)nc1 ZINC000826282637 608161687 /nfs/dbraw/zinc/16/16/87/608161687.db2.gz YNAJLDKBZSGZFN-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM COc1ccc2c(c1)OC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000826213434 608440562 /nfs/dbraw/zinc/44/05/62/608440562.db2.gz WSBIIGXXDSKFNX-NSHDSACASA-N -1 3 368.353 2.199 20 5 FEBDHM COc1ccc2c(c1)OC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000826213434 608440564 /nfs/dbraw/zinc/44/05/64/608440564.db2.gz WSBIIGXXDSKFNX-NSHDSACASA-N -1 3 368.353 2.199 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826418476 608441653 /nfs/dbraw/zinc/44/16/53/608441653.db2.gz IRPXPFGJWHUMQC-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826418476 608441656 /nfs/dbraw/zinc/44/16/56/608441656.db2.gz IRPXPFGJWHUMQC-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826263599 609384506 /nfs/dbraw/zinc/38/45/06/609384506.db2.gz JKDPISOTVLVQOK-UHFFFAOYSA-N -1 3 355.358 2.278 20 5 FEBDHM O=[N+]([O-])c1ccc2ncnc(NCc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000826499557 609438827 /nfs/dbraw/zinc/43/88/27/609438827.db2.gz NJGBFZOYYKOULN-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=[N+]([O-])c1ccc2ncnc(NCc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000826499557 609438828 /nfs/dbraw/zinc/43/88/28/609438828.db2.gz NJGBFZOYYKOULN-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(F)c(F)c2F)c(-c2nnn[n-]2)c1 ZINC000826500511 609592307 /nfs/dbraw/zinc/59/23/07/609592307.db2.gz AKGXMWWRCRBWFZ-UHFFFAOYSA-N -1 3 365.275 2.242 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(F)c(F)c2F)c(-c2nn[n-]n2)c1 ZINC000826500511 609592309 /nfs/dbraw/zinc/59/23/09/609592309.db2.gz AKGXMWWRCRBWFZ-UHFFFAOYSA-N -1 3 365.275 2.242 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C ZINC000815018450 674898070 /nfs/dbraw/zinc/89/80/70/674898070.db2.gz QBSFRIFGFXYWGN-BDAKNGLRSA-N -1 3 365.814 2.148 20 5 FEBDHM CC1CCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101571933 670768598 /nfs/dbraw/zinc/76/85/98/670768598.db2.gz HEWXLVNEUNSMLD-UHFFFAOYSA-N -1 3 361.851 2.258 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@H]21 ZINC000610266127 675962990 /nfs/dbraw/zinc/96/29/90/675962990.db2.gz ZWFIFICXCMKUKL-ZLKJLUDKSA-N -1 3 358.391 2.216 20 5 FEBDHM Cn1cc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)nc1Cl ZINC000124241604 671993241 /nfs/dbraw/zinc/99/32/41/671993241.db2.gz SORJERWVOZGNBM-UHFFFAOYSA-N -1 3 372.834 2.283 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000192740432 672700373 /nfs/dbraw/zinc/70/03/73/672700373.db2.gz PBBMWORWYZWYIB-ZDUSSCGKSA-N -1 3 356.787 2.260 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1C ZINC000593557368 672942295 /nfs/dbraw/zinc/94/22/95/672942295.db2.gz CPMDGSIPRJJUMT-CQSZACIVSA-N -1 3 365.411 2.434 20 5 FEBDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595164 672953839 /nfs/dbraw/zinc/95/38/39/672953839.db2.gz CFKYNBDEEWOMHM-ZDUSSCGKSA-N -1 3 365.411 2.264 20 5 FEBDHM O=C([N-]OCCC(F)(F)F)c1cc([N+](=O)[O-])ncc1Br ZINC000314565371 673032754 /nfs/dbraw/zinc/03/27/54/673032754.db2.gz QCEZIWWGIIYUPE-UHFFFAOYSA-N -1 3 358.070 2.366 20 5 FEBDHM Cc1ccc(C(=O)NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)s1 ZINC000596100956 673358711 /nfs/dbraw/zinc/35/87/11/673358711.db2.gz FJFZNUIRFRJYKJ-UHFFFAOYSA-N -1 3 362.411 2.464 20 5 FEBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000596106826 673359225 /nfs/dbraw/zinc/35/92/25/673359225.db2.gz FDNGGXGFUKMKDW-SNVBAGLBSA-N -1 3 366.399 2.119 20 5 FEBDHM CC(C)CO[C@@H](C)c1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596145234 673362991 /nfs/dbraw/zinc/36/29/91/673362991.db2.gz MSIGATRMQCLCIO-JTQLQIEISA-N -1 3 351.363 2.448 20 5 FEBDHM Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000542385183 673578813 /nfs/dbraw/zinc/57/88/13/673578813.db2.gz NQJWNYFLXJRTHY-UHFFFAOYSA-N -1 3 356.260 2.348 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)nc1 ZINC000599374258 673665965 /nfs/dbraw/zinc/66/59/65/673665965.db2.gz CIMSGPNKSLHKNW-NWANDNLSSA-N -1 3 365.798 2.260 20 5 FEBDHM Cc1ncc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000544262379 673701086 /nfs/dbraw/zinc/70/10/86/673701086.db2.gz QBUHRRYXBCPMLV-UHFFFAOYSA-N -1 3 366.761 2.138 20 5 FEBDHM O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826421141 675688183 /nfs/dbraw/zinc/68/81/83/675688183.db2.gz UGXZKKPBRNLBPU-UHFFFAOYSA-N -1 3 357.351 2.473 20 5 FEBDHM O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826421141 675688185 /nfs/dbraw/zinc/68/81/85/675688185.db2.gz UGXZKKPBRNLBPU-UHFFFAOYSA-N -1 3 357.351 2.473 20 5 FEBDHM CCCCC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000751986426 680215557 /nfs/dbraw/zinc/21/55/57/680215557.db2.gz CTAKTEVOLHTETJ-AWEZNQCLSA-N -1 3 358.416 2.136 20 5 FEBDHM CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000848505566 681564628 /nfs/dbraw/zinc/56/46/28/681564628.db2.gz PNWBHVYABVUPME-UHFFFAOYSA-N -1 3 364.445 2.365 20 5 FEBDHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849420113 681726073 /nfs/dbraw/zinc/72/60/73/681726073.db2.gz RBWHUWFQJQPYMV-NSHDSACASA-N -1 3 361.851 2.399 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Cc1ccc([C@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184534029 547841558 /nfs/dbraw/zinc/84/15/58/547841558.db2.gz QIASKCBVMMHXFZ-MRXNPFEDSA-N -1 3 350.396 2.056 20 5 FEBDHM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000485194329 561314631 /nfs/dbraw/zinc/31/46/31/561314631.db2.gz GJMFVDBJLYICOR-UHFFFAOYSA-N -1 3 360.301 2.214 20 5 FEBDHM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000185764268 548032741 /nfs/dbraw/zinc/03/27/41/548032741.db2.gz ZPNCUFUIWBLQAG-CQSZACIVSA-N -1 3 370.409 2.432 20 5 FEBDHM CC(C)OCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000186580406 548154561 /nfs/dbraw/zinc/15/45/61/548154561.db2.gz DFPASSZWDRJXKF-UHFFFAOYSA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000189838330 548313084 /nfs/dbraw/zinc/31/30/84/548313084.db2.gz SJKLPJPMEICDMW-UHFFFAOYSA-N -1 3 370.349 2.459 20 5 FEBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644501 548965180 /nfs/dbraw/zinc/96/51/80/548965180.db2.gz LFKUIUVBCGSMED-WMLDXEAASA-N -1 3 361.423 2.319 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000246133824 549059873 /nfs/dbraw/zinc/05/98/73/549059873.db2.gz ZVICAMSHKOULII-IAOVAPTHSA-N -1 3 360.391 2.220 20 5 FEBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491586749 561446727 /nfs/dbraw/zinc/44/67/27/561446727.db2.gz QNMGXFLCMXJAEC-SNVBAGLBSA-N -1 3 364.395 2.226 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c1C ZINC000268821893 550119892 /nfs/dbraw/zinc/11/98/92/550119892.db2.gz XWLRHFUKRFPKGI-LBPRGKRZSA-N -1 3 350.400 2.291 20 5 FEBDHM CN(C)CCOc1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000273279841 550492959 /nfs/dbraw/zinc/49/29/59/550492959.db2.gz GNHRULOPXJVBPD-UHFFFAOYSA-N -1 3 373.409 2.213 20 5 FEBDHM C[C@H]1COCCN1c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000274952896 550567161 /nfs/dbraw/zinc/56/71/61/550567161.db2.gz IPSYLLRIDOWHLL-NSHDSACASA-N -1 3 358.354 2.173 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c1[N+](=O)[O-] ZINC000276912433 550610260 /nfs/dbraw/zinc/61/02/60/550610260.db2.gz XIQZMTHPZZMPEI-GFCCVEGCSA-N -1 3 350.400 2.291 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000277117094 550633832 /nfs/dbraw/zinc/63/38/32/550633832.db2.gz WIDDBIJMETXFAH-VIFPVBQESA-N -1 3 356.429 2.411 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc1 ZINC000277757552 550710907 /nfs/dbraw/zinc/71/09/07/550710907.db2.gz RUDGMUBNFBRNJF-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280701216 551023254 /nfs/dbraw/zinc/02/32/54/551023254.db2.gz AMSYOIDOOGKHAG-UHFFFAOYSA-N -1 3 361.402 2.173 20 5 FEBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000497354349 561499127 /nfs/dbraw/zinc/49/91/27/561499127.db2.gz FVCZFJAHDXIISB-UHFFFAOYSA-N -1 3 361.701 2.272 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)cc1C ZINC000497732331 561507478 /nfs/dbraw/zinc/50/74/78/561507478.db2.gz JSITXCJHSRBDEF-AWEZNQCLSA-N -1 3 367.427 2.386 20 5 FEBDHM COc1ccc(C(=O)[N-]C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285370095 551745056 /nfs/dbraw/zinc/74/50/56/551745056.db2.gz QWFQSBDRTOYLOV-UHFFFAOYSA-N -1 3 371.393 2.034 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000289607168 552348907 /nfs/dbraw/zinc/34/89/07/552348907.db2.gz RXXYXMBBOFBWNK-SECBINFHSA-N -1 3 367.221 2.061 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C3(O)CCCCC3)s2)n1 ZINC000290151087 552435055 /nfs/dbraw/zinc/43/50/55/552435055.db2.gz LDJGGGQSFOJAAB-UHFFFAOYSA-N -1 3 351.388 2.189 20 5 FEBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000292827559 552762501 /nfs/dbraw/zinc/76/25/01/552762501.db2.gz OMLYCDSTLQVZRI-UHFFFAOYSA-N -1 3 357.363 2.380 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000295394291 552999248 /nfs/dbraw/zinc/99/92/48/552999248.db2.gz VATVUVBVPAAUBE-UHFFFAOYSA-N -1 3 373.822 2.277 20 5 FEBDHM Cc1c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nnn1C(C)C ZINC000298212439 553398861 /nfs/dbraw/zinc/39/88/61/553398861.db2.gz YPKBWVDQYFGNQW-UHFFFAOYSA-N -1 3 361.358 2.489 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000313183793 553757386 /nfs/dbraw/zinc/75/73/86/553757386.db2.gz COOLDDMVIICORB-UHFFFAOYSA-N -1 3 358.416 2.486 20 5 FEBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000326522317 553781214 /nfs/dbraw/zinc/78/12/14/553781214.db2.gz FBNMUEMRULRHPU-UHFFFAOYSA-N -1 3 359.423 2.277 20 5 FEBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000507821351 561742012 /nfs/dbraw/zinc/74/20/12/561742012.db2.gz DUVBDKXPSZUEKU-UHFFFAOYSA-N -1 3 369.786 2.165 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000330529612 554134218 /nfs/dbraw/zinc/13/42/18/554134218.db2.gz LSESNDKSNLIEEQ-UHFFFAOYSA-N -1 3 350.343 2.460 20 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ZINC000613180803 554897090 /nfs/dbraw/zinc/89/70/90/554897090.db2.gz AGSGKBNSDURYAW-UHFFFAOYSA-N -1 3 362.820 2.095 20 5 FEBDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363453344 555109869 /nfs/dbraw/zinc/10/98/69/555109869.db2.gz VRTVXMKEAHSLOZ-SNVBAGLBSA-N -1 3 370.408 2.467 20 5 FEBDHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366020761 555729437 /nfs/dbraw/zinc/72/94/37/555729437.db2.gz DURNNDVVNIYHSA-XJKSGUPXSA-N -1 3 363.414 2.443 20 5 FEBDHM Cc1cc(C(=O)NC[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366457117 555849456 /nfs/dbraw/zinc/84/94/56/555849456.db2.gz GCNTZZMEMOCOAV-INIZCTEOSA-N -1 3 363.395 2.283 20 5 FEBDHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368423503 556305258 /nfs/dbraw/zinc/30/52/58/556305258.db2.gz XKEDEUUWTPBUQP-LBPRGKRZSA-N -1 3 367.365 2.110 20 5 FEBDHM CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000378539310 558578286 /nfs/dbraw/zinc/57/82/86/558578286.db2.gz BXORXCUCUSEYOM-CYBMUJFWSA-N -1 3 357.366 2.270 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cccc(O)c1 ZINC000383465139 558604687 /nfs/dbraw/zinc/60/46/87/558604687.db2.gz IJYFSWUDQPGUQO-JTQLQIEISA-N -1 3 352.368 2.349 20 5 FEBDHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687602 562252232 /nfs/dbraw/zinc/25/22/32/562252232.db2.gz BXCHEBQVQFYJHV-CYBMUJFWSA-N -1 3 370.475 2.169 20 5 FEBDHM Cc1c(CS(=O)(=O)Cc2cc(=O)[n-]c(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000414420752 559162907 /nfs/dbraw/zinc/16/29/07/559162907.db2.gz WRTYXFACPPYLTR-UHFFFAOYSA-N -1 3 363.395 2.391 20 5 FEBDHM CC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416430162 559312338 /nfs/dbraw/zinc/31/23/38/559312338.db2.gz ARZJTBBRDLFPOL-SECBINFHSA-N -1 3 356.322 2.053 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416436674 559312606 /nfs/dbraw/zinc/31/26/06/559312606.db2.gz DNCHJHMWESKXMH-LLVKDONJSA-N -1 3 354.306 2.071 20 5 FEBDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416491970 559317286 /nfs/dbraw/zinc/31/72/86/559317286.db2.gz BBEHRBNHINGHAE-VIFPVBQESA-N -1 3 370.349 2.443 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000416493812 559317447 /nfs/dbraw/zinc/31/74/47/559317447.db2.gz GKWSKOFBUZQASQ-NSHDSACASA-N -1 3 368.333 2.053 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC000416503095 559318363 /nfs/dbraw/zinc/31/83/63/559318363.db2.gz NXSONMQBKRNBKO-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)Cc1ccc([O-])c(F)c1 ZINC000420639636 559494589 /nfs/dbraw/zinc/49/45/89/559494589.db2.gz SFTDBSVXNCNVRI-LBPRGKRZSA-N -1 3 363.345 2.587 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000425191909 559690382 /nfs/dbraw/zinc/69/03/82/559690382.db2.gz HIIJZKSYWOMMNB-JQWIXIFHSA-N -1 3 358.391 2.457 20 5 FEBDHM CCC[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OCC ZINC000433443442 559881505 /nfs/dbraw/zinc/88/15/05/559881505.db2.gz MHWMCBFLWUCDBV-GFCCVEGCSA-N -1 3 358.416 2.161 20 5 FEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000435650585 559927303 /nfs/dbraw/zinc/92/73/03/559927303.db2.gz JFMVASYZHZAGGB-UHFFFAOYSA-N -1 3 351.384 2.039 20 5 FEBDHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000435900664 559932008 /nfs/dbraw/zinc/93/20/08/559932008.db2.gz FRARSYYFRBZEKP-NSHDSACASA-N -1 3 365.349 2.327 20 5 FEBDHM O=C(NCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc([O-])cc1 ZINC000436516784 559944127 /nfs/dbraw/zinc/94/41/27/559944127.db2.gz MFYKJRZTTVARKD-UHFFFAOYSA-N -1 3 370.365 2.027 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000443271672 560077211 /nfs/dbraw/zinc/07/72/11/560077211.db2.gz LDPAUBCZDIAVKW-ZDUSSCGKSA-N -1 3 354.359 2.054 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000443277871 560077644 /nfs/dbraw/zinc/07/76/44/560077644.db2.gz WOPIHDUXOLDAGT-CYBMUJFWSA-N -1 3 354.359 2.054 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000443510465 560085975 /nfs/dbraw/zinc/08/59/75/560085975.db2.gz NTQVTJKCMVIMSI-GXTWGEPZSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c([N+](=O)[O-])c1 ZINC000443740937 560091586 /nfs/dbraw/zinc/09/15/86/560091586.db2.gz CHKAGGKPDKBZDI-UHFFFAOYSA-N -1 3 360.395 2.301 20 5 FEBDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447940181 560173982 /nfs/dbraw/zinc/17/39/82/560173982.db2.gz NSKYTOIGXRLHIZ-AWEZNQCLSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1N(C)CCCC1(C)C ZINC000447939356 560174062 /nfs/dbraw/zinc/17/40/62/560174062.db2.gz KAFLHKAQXUJQJV-AWEZNQCLSA-N -1 3 355.460 2.302 20 5 FEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000451733097 560325444 /nfs/dbraw/zinc/32/54/44/560325444.db2.gz FPEJAJQHCTYUQD-UHFFFAOYSA-N -1 3 366.798 2.354 20 5 FEBDHM CCC1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000451745963 560326118 /nfs/dbraw/zinc/32/61/18/560326118.db2.gz WQZVNLZMVSZSDX-UHFFFAOYSA-N -1 3 356.400 2.367 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000451822324 560330864 /nfs/dbraw/zinc/33/08/64/560330864.db2.gz JYVHDJLFLNBOMA-SWLSCSKDSA-N -1 3 372.443 2.333 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451827427 560331181 /nfs/dbraw/zinc/33/11/81/560331181.db2.gz UIEZVJSDFPMANQ-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000451843264 560331859 /nfs/dbraw/zinc/33/18/59/560331859.db2.gz RSGNKKBXUJZVPZ-HNNXBMFYSA-N -1 3 372.443 2.033 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451855930 560332675 /nfs/dbraw/zinc/33/26/75/560332675.db2.gz PBNIXQKZPLSZMT-XJKSGUPXSA-N -1 3 374.459 2.171 20 5 FEBDHM Cc1sc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000461618183 560777007 /nfs/dbraw/zinc/77/70/07/560777007.db2.gz NPUXUSHUKDZXTM-UHFFFAOYSA-N -1 3 362.367 2.113 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c1 ZINC000466520286 560888800 /nfs/dbraw/zinc/88/88/00/560888800.db2.gz COMQFCUULRDHIF-CQSZACIVSA-N -1 3 352.343 2.287 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000467064587 560902747 /nfs/dbraw/zinc/90/27/47/560902747.db2.gz VXXARBOZALAPRQ-ZWKOPEQDSA-N -1 3 358.441 2.201 20 5 FEBDHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000468801493 560939093 /nfs/dbraw/zinc/93/90/93/560939093.db2.gz CBHCGKHSZRWWJA-NSHDSACASA-N -1 3 356.322 2.149 20 5 FEBDHM Cc1cc2c([n-]c(CC(=O)NCc3ccc([N+](=O)[O-])cc3)nc2=O)s1 ZINC000468871453 560940993 /nfs/dbraw/zinc/94/09/93/560940993.db2.gz HPVLOISVULBOSJ-UHFFFAOYSA-N -1 3 358.379 2.472 20 5 FEBDHM COC(=O)c1cc(C)nc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc21 ZINC000531882472 562459980 /nfs/dbraw/zinc/45/99/80/562459980.db2.gz LGIBGEIERXFOHB-UHFFFAOYSA-N -1 3 373.350 2.342 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc([S@](C)=O)cc1 ZINC000534409106 562533645 /nfs/dbraw/zinc/53/36/45/562533645.db2.gz NHLHJJBOEMRFDJ-CLTRCRFRSA-N -1 3 374.465 2.433 20 5 FEBDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000534819748 562543107 /nfs/dbraw/zinc/54/31/07/562543107.db2.gz WVIDDPKBQAYIQL-LBPRGKRZSA-N -1 3 358.416 2.222 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000535143175 562551898 /nfs/dbraw/zinc/55/18/98/562551898.db2.gz OQAWQQJKQGBNDN-BGJPBQGDSA-N -1 3 368.436 2.372 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000604411549 568272196 /nfs/dbraw/zinc/27/21/96/568272196.db2.gz ZUHNPRAVBUGJLS-UHFFFAOYSA-N -1 3 356.386 2.388 20 5 FEBDHM O=[N+]([O-])c1ccc(Sc2nnc(CO)[n-]2)nc1OCc1ccccc1 ZINC000569181502 568304988 /nfs/dbraw/zinc/30/49/88/568304988.db2.gz XLXRMQZPEWMIJI-UHFFFAOYSA-N -1 3 359.367 2.330 20 5 FEBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)nc1OCc1ccccc1 ZINC000569181502 568304989 /nfs/dbraw/zinc/30/49/89/568304989.db2.gz XLXRMQZPEWMIJI-UHFFFAOYSA-N -1 3 359.367 2.330 20 5 FEBDHM CC(C)(CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819980233 599106157 /nfs/dbraw/zinc/10/61/57/599106157.db2.gz ABHCAEKHLTUDKL-UHFFFAOYSA-N -1 3 357.374 2.144 20 5 FEBDHM CC(C)(CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819980233 599106159 /nfs/dbraw/zinc/10/61/59/599106159.db2.gz ABHCAEKHLTUDKL-UHFFFAOYSA-N -1 3 357.374 2.144 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737369780 599183610 /nfs/dbraw/zinc/18/36/10/599183610.db2.gz WAVYIBCDAZRPJC-UHFFFAOYSA-N -1 3 352.354 2.356 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737369780 599183613 /nfs/dbraw/zinc/18/36/13/599183613.db2.gz WAVYIBCDAZRPJC-UHFFFAOYSA-N -1 3 352.354 2.356 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1nc2ccccn2c1[N+](=O)[O-] ZINC000821703316 599201620 /nfs/dbraw/zinc/20/16/20/599201620.db2.gz YZQZSUQOUIMKEM-UHFFFAOYSA-N -1 3 353.298 2.224 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1nc2ccccn2c1[N+](=O)[O-] ZINC000821703316 599201622 /nfs/dbraw/zinc/20/16/22/599201622.db2.gz YZQZSUQOUIMKEM-UHFFFAOYSA-N -1 3 353.298 2.224 20 5 FEBDHM Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822075642 607270441 /nfs/dbraw/zinc/27/04/41/607270441.db2.gz GWBFHHGYUGKPHI-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822075642 607270442 /nfs/dbraw/zinc/27/04/42/607270442.db2.gz GWBFHHGYUGKPHI-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737966879 599247191 /nfs/dbraw/zinc/24/71/91/599247191.db2.gz KEJSKGZWNHZVHG-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737966879 599247193 /nfs/dbraw/zinc/24/71/93/599247193.db2.gz KEJSKGZWNHZVHG-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000822220267 599271272 /nfs/dbraw/zinc/27/12/72/599271272.db2.gz JYXJCXANHGFCEC-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000822220267 599271273 /nfs/dbraw/zinc/27/12/73/599271273.db2.gz JYXJCXANHGFCEC-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM Cc1cc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000737272557 598244038 /nfs/dbraw/zinc/24/40/38/598244038.db2.gz SQGCULSGAMIQIO-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1cc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000737272557 598244040 /nfs/dbraw/zinc/24/40/40/598244040.db2.gz SQGCULSGAMIQIO-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](c2ccccc2F)C1 ZINC000738357639 598458088 /nfs/dbraw/zinc/45/80/88/598458088.db2.gz GVPSMPIPKUZUKF-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccccc2F)C1 ZINC000738357639 598458089 /nfs/dbraw/zinc/45/80/89/598458089.db2.gz GVPSMPIPKUZUKF-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738370159 598459337 /nfs/dbraw/zinc/45/93/37/598459337.db2.gz RBKPMXAJYNAHHI-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1ccccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738370159 598459339 /nfs/dbraw/zinc/45/93/39/598459339.db2.gz RBKPMXAJYNAHHI-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738220725 598583677 /nfs/dbraw/zinc/58/36/77/598583677.db2.gz BZAGUZIREWCZNQ-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736297863 598735529 /nfs/dbraw/zinc/73/55/29/598735529.db2.gz NQPXMJRDCIFUJP-QMMMGPOBSA-N -1 3 356.367 2.428 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736297863 598735531 /nfs/dbraw/zinc/73/55/31/598735531.db2.gz NQPXMJRDCIFUJP-QMMMGPOBSA-N -1 3 356.367 2.428 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736300221 598735840 /nfs/dbraw/zinc/73/58/40/598735840.db2.gz WBDDWZUEIGWDLR-JTQLQIEISA-N -1 3 350.338 2.366 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736300221 598735841 /nfs/dbraw/zinc/73/58/41/598735841.db2.gz WBDDWZUEIGWDLR-JTQLQIEISA-N -1 3 350.338 2.366 20 5 FEBDHM O=[N+]([O-])c1ccc(Nc2cnn(CC(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738367571 599304530 /nfs/dbraw/zinc/30/45/30/599304530.db2.gz VTNZOXKUGMYQRK-UHFFFAOYSA-N -1 3 354.252 2.277 20 5 FEBDHM O=[N+]([O-])c1ccc(Nc2cnn(CC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738367571 599304531 /nfs/dbraw/zinc/30/45/31/599304531.db2.gz VTNZOXKUGMYQRK-UHFFFAOYSA-N -1 3 354.252 2.277 20 5 FEBDHM COc1ccccc1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737147517 599537091 /nfs/dbraw/zinc/53/70/91/599537091.db2.gz MLNUXGLSHUUBEI-NSHDSACASA-N -1 3 367.369 2.172 20 5 FEBDHM COc1ccccc1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737147517 599537094 /nfs/dbraw/zinc/53/70/94/599537094.db2.gz MLNUXGLSHUUBEI-NSHDSACASA-N -1 3 367.369 2.172 20 5 FEBDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822168867 599553163 /nfs/dbraw/zinc/55/31/63/599553163.db2.gz UGGGCHBZZZTPRH-SNVBAGLBSA-N -1 3 367.369 2.157 20 5 FEBDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822168867 599553166 /nfs/dbraw/zinc/55/31/66/599553166.db2.gz UGGGCHBZZZTPRH-SNVBAGLBSA-N -1 3 367.369 2.157 20 5 FEBDHM CN(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737361317 599855298 /nfs/dbraw/zinc/85/52/98/599855298.db2.gz RXLVBVJVMHFMAD-MRXNPFEDSA-N -1 3 357.366 2.326 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000826251995 607402949 /nfs/dbraw/zinc/40/29/49/607402949.db2.gz JTQCOZHSYRKKBY-UHFFFAOYSA-N -1 3 353.338 2.483 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000826251995 607402951 /nfs/dbraw/zinc/40/29/51/607402951.db2.gz JTQCOZHSYRKKBY-UHFFFAOYSA-N -1 3 353.338 2.483 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000821745047 607410436 /nfs/dbraw/zinc/41/04/36/607410436.db2.gz BKCOPDXCCHQDES-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000821745047 607410437 /nfs/dbraw/zinc/41/04/37/607410437.db2.gz BKCOPDXCCHQDES-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833173860 601013662 /nfs/dbraw/zinc/01/36/62/601013662.db2.gz WYOAWSHXLROBAI-BDJLRTHQSA-N -1 3 360.345 2.441 20 5 FEBDHM COc1ccc(OCCN2CCC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500318 604040758 /nfs/dbraw/zinc/04/07/58/604040758.db2.gz IADQPHUEKUUBFD-CYBMUJFWSA-N -1 3 367.402 2.304 20 5 FEBDHM Cc1c(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236383 607683355 /nfs/dbraw/zinc/68/33/55/607683355.db2.gz JTZUHYDXBFTPLC-UHFFFAOYSA-N -1 3 356.317 2.404 20 5 FEBDHM Cc1c(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236383 607683356 /nfs/dbraw/zinc/68/33/56/607683356.db2.gz JTZUHYDXBFTPLC-UHFFFAOYSA-N -1 3 356.317 2.404 20 5 FEBDHM CN(C(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000833684561 604932993 /nfs/dbraw/zinc/93/29/93/604932993.db2.gz JCVCSIZJOFQFCE-ZDUSSCGKSA-N -1 3 363.414 2.380 20 5 FEBDHM COCCN(CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821689782 606240864 /nfs/dbraw/zinc/24/08/64/606240864.db2.gz MPDWXGJSXAGZNC-UHFFFAOYSA-N -1 3 368.397 2.470 20 5 FEBDHM COCCN(CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821689782 606240865 /nfs/dbraw/zinc/24/08/65/606240865.db2.gz MPDWXGJSXAGZNC-UHFFFAOYSA-N -1 3 368.397 2.470 20 5 FEBDHM COc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821772725 606271498 /nfs/dbraw/zinc/27/14/98/606271498.db2.gz NEQHLOJCVGDZMF-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821772725 606271500 /nfs/dbraw/zinc/27/15/00/606271500.db2.gz NEQHLOJCVGDZMF-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCO[C@H](c3ccc(F)cc3)C2)ccc1-c1nnn[n-]1 ZINC000823634804 606645124 /nfs/dbraw/zinc/64/51/24/606645124.db2.gz MJKCSLYBAPJBIA-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820728105 607047464 /nfs/dbraw/zinc/04/74/64/607047464.db2.gz STHPEBBYWGRSHO-ABAIWWIYSA-N -1 3 354.374 2.059 20 5 FEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820728105 607047466 /nfs/dbraw/zinc/04/74/66/607047466.db2.gz STHPEBBYWGRSHO-ABAIWWIYSA-N -1 3 354.374 2.059 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1cc(F)ccc1F ZINC000826499431 607876693 /nfs/dbraw/zinc/87/66/93/607876693.db2.gz INCQOPQDWCYXRC-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1cc(F)ccc1F ZINC000826499431 607876694 /nfs/dbraw/zinc/87/66/94/607876694.db2.gz INCQOPQDWCYXRC-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM CC(C)(C)OC(=O)N1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824103708 608076871 /nfs/dbraw/zinc/07/68/71/608076871.db2.gz HWKYWQLHDMANPO-UHFFFAOYSA-N -1 3 361.362 2.137 20 5 FEBDHM CC(C)(C)OC(=O)N1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824103708 608076872 /nfs/dbraw/zinc/07/68/72/608076872.db2.gz HWKYWQLHDMANPO-UHFFFAOYSA-N -1 3 361.362 2.137 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1OC ZINC000826173198 608263756 /nfs/dbraw/zinc/26/37/56/608263756.db2.gz RQXZKSULVDCVFE-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])cc1OC ZINC000826173198 608263758 /nfs/dbraw/zinc/26/37/58/608263758.db2.gz RQXZKSULVDCVFE-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000826172679 608344436 /nfs/dbraw/zinc/34/44/36/608344436.db2.gz SAKKXWXSQSWBOC-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000826172679 608344438 /nfs/dbraw/zinc/34/44/38/608344438.db2.gz SAKKXWXSQSWBOC-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM C[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824478496 608432722 /nfs/dbraw/zinc/43/27/22/608432722.db2.gz HOXHDXFRFQJDLT-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824478496 608432724 /nfs/dbraw/zinc/43/27/24/608432724.db2.gz HOXHDXFRFQJDLT-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM COc1ccc2c(c1)OC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000826213433 608440401 /nfs/dbraw/zinc/44/04/01/608440401.db2.gz WSBIIGXXDSKFNX-LLVKDONJSA-N -1 3 368.353 2.199 20 5 FEBDHM COc1ccc2c(c1)OC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000826213433 608440403 /nfs/dbraw/zinc/44/04/03/608440403.db2.gz WSBIIGXXDSKFNX-LLVKDONJSA-N -1 3 368.353 2.199 20 5 FEBDHM CN1Cc2cc(Oc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2C1=O ZINC000826045551 608553472 /nfs/dbraw/zinc/55/34/72/608553472.db2.gz YVYXNMNMSDBQNG-UHFFFAOYSA-N -1 3 352.310 2.153 20 5 FEBDHM CN1Cc2cc(Oc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2C1=O ZINC000826045551 608553473 /nfs/dbraw/zinc/55/34/73/608553473.db2.gz YVYXNMNMSDBQNG-UHFFFAOYSA-N -1 3 352.310 2.153 20 5 FEBDHM Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1C1CCC1 ZINC000826356610 609390829 /nfs/dbraw/zinc/39/08/29/609390829.db2.gz YJNQOFHPDCSRKB-UHFFFAOYSA-N -1 3 358.387 2.322 20 5 FEBDHM Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1C1CCC1 ZINC000826356610 609390830 /nfs/dbraw/zinc/39/08/30/609390830.db2.gz YJNQOFHPDCSRKB-UHFFFAOYSA-N -1 3 358.387 2.322 20 5 FEBDHM CSc1ccc(C(=O)[N-]n2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000014604419 670009088 /nfs/dbraw/zinc/00/90/88/670009088.db2.gz YXOGGTLDBDBESH-UHFFFAOYSA-N -1 3 356.363 2.411 20 5 FEBDHM CSc1ccncc1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000610544002 675979138 /nfs/dbraw/zinc/97/91/38/675979138.db2.gz KTDMDBWILFSMNG-UHFFFAOYSA-N -1 3 367.408 2.368 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000610590641 675983230 /nfs/dbraw/zinc/98/32/30/675983230.db2.gz JAXDVISEQIOKIV-UHFFFAOYSA-N -1 3 368.367 2.151 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC000159303806 672280250 /nfs/dbraw/zinc/28/02/50/672280250.db2.gz QTOIUTDRWYTBIY-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000179534504 672402924 /nfs/dbraw/zinc/40/29/24/672402924.db2.gz YJXPZHGQZFRATJ-UHFFFAOYSA-N -1 3 353.375 2.385 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000590590238 672593402 /nfs/dbraw/zinc/59/34/02/672593402.db2.gz AWHUSSIKLXJETJ-GFCCVEGCSA-N -1 3 359.423 2.195 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000593572641 672947215 /nfs/dbraw/zinc/94/72/15/672947215.db2.gz OFXXUCOUDYYTRF-XJKSGUPXSA-N -1 3 363.395 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594484378 673088538 /nfs/dbraw/zinc/08/85/38/673088538.db2.gz QJUOVQVGWIICJW-ZIAGYGMSSA-N -1 3 357.407 2.029 20 5 FEBDHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754085 673130221 /nfs/dbraw/zinc/13/02/21/673130221.db2.gz OELNINMGJJEJLC-ZDUSSCGKSA-N -1 3 370.475 2.169 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1F ZINC000594853976 673164292 /nfs/dbraw/zinc/16/42/92/673164292.db2.gz BZIVIUJXAUPSQW-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc3N2)nc1 ZINC000595114287 673195674 /nfs/dbraw/zinc/19/56/74/673195674.db2.gz VFYFRUZZTOHFNL-CYBMUJFWSA-N -1 3 362.411 2.085 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000728989189 673218105 /nfs/dbraw/zinc/21/81/05/673218105.db2.gz UVALVISOOIVPRP-UHFFFAOYSA-N -1 3 368.342 2.462 20 5 FEBDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595353997 673231083 /nfs/dbraw/zinc/23/10/83/673231083.db2.gz OOGBFIZOHOTXNG-CVEARBPZSA-N -1 3 365.411 2.026 20 5 FEBDHM O=c1[n-]ccc(N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1[N+](=O)[O-] ZINC000596280169 673373858 /nfs/dbraw/zinc/37/38/58/673373858.db2.gz BEVMWTLLASKKSE-PHIMTYICSA-N -1 3 351.265 2.002 20 5 FEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597442609 673478127 /nfs/dbraw/zinc/47/81/27/673478127.db2.gz MKWAPVMQJHMEKZ-NXEZZACHSA-N -1 3 364.276 2.223 20 5 FEBDHM COc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000548519134 673964777 /nfs/dbraw/zinc/96/47/77/673964777.db2.gz OGJGEHSCRPRLQJ-UHFFFAOYSA-N -1 3 360.355 2.108 20 5 FEBDHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCCC2 ZINC000844832667 681086767 /nfs/dbraw/zinc/08/67/67/681086767.db2.gz FUKQQIJBDCVDHG-UHFFFAOYSA-N -1 3 355.397 2.437 20 5 FEBDHM Cn1c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nnc1C1CC1 ZINC000778422527 681610798 /nfs/dbraw/zinc/61/07/98/681610798.db2.gz AYNLZYOGPQKJDU-UHFFFAOYSA-N -1 3 351.313 2.009 20 5 FEBDHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000779890357 681766516 /nfs/dbraw/zinc/76/65/16/681766516.db2.gz KOGCOXKLKIXXFW-ZETCQYMHSA-N -1 3 360.779 2.288 20 5 FEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000853365986 682408691 /nfs/dbraw/zinc/40/86/91/682408691.db2.gz YCZFEZARNYCAIM-WDEREUQCSA-N -1 3 352.391 2.435 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCOC2)c(F)c1 ZINC000921853599 683593631 /nfs/dbraw/zinc/59/36/31/683593631.db2.gz IRAIPFIANYYDOL-ABAIWWIYSA-N -1 3 358.391 2.217 20 5 FEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nc(C2CCOCC2)ns1 ZINC000863263009 683694615 /nfs/dbraw/zinc/69/46/15/683694615.db2.gz IGRQTNLWHXMGOV-UHFFFAOYSA-N -1 3 367.362 2.314 20 5 FEBDHM COc1cc([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)c([N+](=O)[O-])cc1[O-] ZINC000877860094 686474607 /nfs/dbraw/zinc/47/46/07/686474607.db2.gz UZCUTYSQXBADOI-AWEZNQCLSA-N -1 3 351.265 2.441 20 5 FEBDHM COc1c([O-])ccc(CN2CCO[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895469745 689722090 /nfs/dbraw/zinc/72/20/90/689722090.db2.gz RDXJTGBSLHUMMM-JTQLQIEISA-N -1 3 350.293 2.462 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@]23C[C@H]2COC32CCC2)c([N+](=O)[O-])s1 ZINC000908121926 691618606 /nfs/dbraw/zinc/61/86/06/691618606.db2.gz IFGWBGRHXMVSHR-GXFFZTMASA-N -1 3 358.441 2.202 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000023977041 539722759 /nfs/dbraw/zinc/72/27/59/539722759.db2.gz YGZYPBUULTUSLY-LBPRGKRZSA-N -1 3 355.441 2.238 20 5 FEBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C)on2)cc1OC ZINC000800680937 674069449 /nfs/dbraw/zinc/06/94/49/674069449.db2.gz CSSYKFMNBAPCOL-UHFFFAOYSA-N -1 3 351.315 2.177 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000028196592 539827544 /nfs/dbraw/zinc/82/75/44/539827544.db2.gz NUSMQKJEVYVTGU-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000030497367 539882870 /nfs/dbraw/zinc/88/28/70/539882870.db2.gz QLZIUCHEMLFLTE-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031607219 539913511 /nfs/dbraw/zinc/91/35/11/539913511.db2.gz BQOFMCVRLKNQKD-UHFFFAOYSA-N -1 3 357.244 2.477 20 5 FEBDHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033870334 539976096 /nfs/dbraw/zinc/97/60/96/539976096.db2.gz FHNHJJMQKAKGOF-ZDUSSCGKSA-N -1 3 370.427 2.385 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC000046036745 540238387 /nfs/dbraw/zinc/23/83/87/540238387.db2.gz NCUOJUUAZRRDOM-JSGCOSHPSA-N -1 3 372.443 2.477 20 5 FEBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000066000676 541277473 /nfs/dbraw/zinc/27/74/73/541277473.db2.gz FRZIXTMKJCWTDM-UHFFFAOYSA-N -1 3 357.413 2.317 20 5 FEBDHM CCCc1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000067135350 541422432 /nfs/dbraw/zinc/42/24/32/541422432.db2.gz DGCMZBUVCXFHQU-UHFFFAOYSA-N -1 3 359.371 2.232 20 5 FEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000068940345 541642743 /nfs/dbraw/zinc/64/27/43/541642743.db2.gz DVCVLXPRWRWTAE-UHFFFAOYSA-N -1 3 358.322 2.230 20 5 FEBDHM Cc1cc(=O)c(C(=O)Nc2cccc([O-])c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000096965285 543001040 /nfs/dbraw/zinc/00/10/40/543001040.db2.gz JHKUHGCXAJKNCO-UHFFFAOYSA-N -1 3 366.333 2.407 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)[N-]c1nncn1Cc1ccccc1 ZINC000117735538 543638802 /nfs/dbraw/zinc/63/88/02/543638802.db2.gz JJQDXTIJOYVPPJ-UHFFFAOYSA-N -1 3 353.338 2.252 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000124859146 543847034 /nfs/dbraw/zinc/84/70/34/543847034.db2.gz ZBHHGCLXTHPAFR-KGLIPLIRSA-N -1 3 362.835 2.468 20 5 FEBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131270371 544183046 /nfs/dbraw/zinc/18/30/46/544183046.db2.gz RQZCJIABAKFNHW-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000134701533 544318834 /nfs/dbraw/zinc/31/88/34/544318834.db2.gz ABNKYXBIJGEQRK-CYBMUJFWSA-N -1 3 371.459 2.062 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000155158429 544996176 /nfs/dbraw/zinc/99/61/76/544996176.db2.gz TVSAGMVYACCGDD-JTQLQIEISA-N -1 3 368.415 2.456 20 5 FEBDHM C[S@](=O)Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000185667270 327927140 /nfs/dbraw/zinc/92/71/40/327927140.db2.gz QHFJSKCUJWGEEH-DEOSSOPVSA-N -1 3 369.786 2.480 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000186739901 327979476 /nfs/dbraw/zinc/97/94/76/327979476.db2.gz NCJHRECEWGZKHL-SECBINFHSA-N -1 3 371.440 2.450 20 5 FEBDHM O=C(c1c[n-]c2ccccc2c1=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188570666 328096063 /nfs/dbraw/zinc/09/60/63/328096063.db2.gz ZOSUJZWSCLDITH-UHFFFAOYSA-N -1 3 365.345 2.340 20 5 FEBDHM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000189341760 328142117 /nfs/dbraw/zinc/14/21/17/328142117.db2.gz IZTGLGGKVFVNFS-UHFFFAOYSA-N -1 3 354.326 2.258 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccc(CO)c2)c1[N+](=O)[O-] ZINC000189995800 328181272 /nfs/dbraw/zinc/18/12/72/328181272.db2.gz PEGOEFZDBPMSKL-UHFFFAOYSA-N -1 3 350.396 2.182 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] ZINC000190080023 328186524 /nfs/dbraw/zinc/18/65/24/328186524.db2.gz FUAMYONELLDXHS-HUUCEWRRSA-N -1 3 362.407 2.148 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)c2ccsc2)c1[N+](=O)[O-] ZINC000190109294 328188826 /nfs/dbraw/zinc/18/88/26/328188826.db2.gz BHAKBWOCPBETEF-GFCCVEGCSA-N -1 3 356.425 2.285 20 5 FEBDHM COCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000079261906 325084298 /nfs/dbraw/zinc/08/42/98/325084298.db2.gz DUYKKAXQFKLOPL-UHFFFAOYSA-N -1 3 354.359 2.359 20 5 FEBDHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000121414915 326337033 /nfs/dbraw/zinc/33/70/33/326337033.db2.gz YRVJVCWHHRFRMZ-XVKPBYJWSA-N -1 3 354.306 2.069 20 5 FEBDHM CN(C)Cc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000123705007 326440898 /nfs/dbraw/zinc/44/08/98/326440898.db2.gz HMJDYXBLYUSLPU-UHFFFAOYSA-N -1 3 367.402 2.274 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000124570837 326456198 /nfs/dbraw/zinc/45/61/98/326456198.db2.gz PXLWEOWWUYEJTL-UHFFFAOYSA-N -1 3 358.445 2.228 20 5 FEBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000128845467 326530727 /nfs/dbraw/zinc/53/07/27/326530727.db2.gz QUDIHKQYWVMQLM-VIFPVBQESA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1ccn(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c(=O)c1[N+](=O)[O-] ZINC000129614585 326543569 /nfs/dbraw/zinc/54/35/69/326543569.db2.gz DLSNADYKFPQTJJ-UHFFFAOYSA-N -1 3 352.306 2.096 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000162781727 327034668 /nfs/dbraw/zinc/03/46/68/327034668.db2.gz YZZZDPCPWPWTTL-KCJUWKMLSA-N -1 3 368.333 2.053 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC000163387992 327050293 /nfs/dbraw/zinc/05/02/93/327050293.db2.gz KGSCAYSHWLDYEW-BDAKNGLRSA-N -1 3 368.333 2.317 20 5 FEBDHM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000173208205 327241426 /nfs/dbraw/zinc/24/14/26/327241426.db2.gz TYRZRXJDARBJKQ-CQSZACIVSA-N -1 3 370.409 2.432 20 5 FEBDHM NC(=O)c1csc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000173571295 327267255 /nfs/dbraw/zinc/26/72/55/327267255.db2.gz VLQFPOLUZKLDTF-UHFFFAOYSA-N -1 3 360.273 2.421 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000175403914 327391033 /nfs/dbraw/zinc/39/10/33/327391033.db2.gz QCYZNYWAYNLRFK-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000175651179 327404645 /nfs/dbraw/zinc/40/46/45/327404645.db2.gz IHTROHWUZGHLKF-WDVBMNPBSA-N -1 3 374.484 2.261 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000267657274 329347088 /nfs/dbraw/zinc/34/70/88/329347088.db2.gz MCOMPFPSAXIJEV-JTQLQIEISA-N -1 3 358.807 2.120 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)C)C1 ZINC000271711550 329717719 /nfs/dbraw/zinc/71/77/19/329717719.db2.gz RPHXFZHISQIWIA-RISCZKNCSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473003302 538733392 /nfs/dbraw/zinc/73/33/92/538733392.db2.gz VDNAORPIKNANNE-CYBMUJFWSA-N -1 3 373.369 2.363 20 5 FEBDHM COc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc(OC)c1[O-] ZINC000497403884 538755509 /nfs/dbraw/zinc/75/55/09/538755509.db2.gz NKBCHSXKNOVKLX-UHFFFAOYSA-N -1 3 358.310 2.446 20 5 FEBDHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000156713186 545651421 /nfs/dbraw/zinc/65/14/21/545651421.db2.gz JENQSIGESTUELA-DZGCQCFKSA-N -1 3 364.423 2.428 20 5 FEBDHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000158182817 545831971 /nfs/dbraw/zinc/83/19/71/545831971.db2.gz NFUHPYPJARDXOS-CMPLNLGQSA-N -1 3 356.425 2.447 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1([C@H](O)c2ccccc2)CC1 ZINC000159286701 545939650 /nfs/dbraw/zinc/93/96/50/545939650.db2.gz VVUYNZNFXWKVIM-MRXNPFEDSA-N -1 3 362.407 2.387 20 5 FEBDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000167651803 546158410 /nfs/dbraw/zinc/15/84/10/546158410.db2.gz GKXPGPSTBVSBGR-UHFFFAOYSA-N -1 3 366.443 2.240 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000480025430 561201610 /nfs/dbraw/zinc/20/16/10/561201610.db2.gz XRTFQUDTLLNTJA-UHFFFAOYSA-N -1 3 359.766 2.303 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1 ZINC000480859269 561218529 /nfs/dbraw/zinc/21/85/29/561218529.db2.gz WTXRJUBTTYBUQN-GFCCVEGCSA-N -1 3 363.395 2.209 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481031226 561223400 /nfs/dbraw/zinc/22/34/00/561223400.db2.gz AMZIEOZSDIGHMR-LBPRGKRZSA-N -1 3 355.460 2.222 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000177733838 546677196 /nfs/dbraw/zinc/67/71/96/546677196.db2.gz XFQBVWHFOHSDTM-CQSZACIVSA-N -1 3 350.396 2.039 20 5 FEBDHM COC(=O)c1cnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[n-]1 ZINC000484555952 561299890 /nfs/dbraw/zinc/29/98/90/561299890.db2.gz LFGDFWMIFFFFKM-UHFFFAOYSA-N -1 3 361.339 2.447 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)cc1C ZINC000184282224 547799705 /nfs/dbraw/zinc/79/97/05/547799705.db2.gz SNMHHFDZOMJROA-GFCCVEGCSA-N -1 3 354.384 2.207 20 5 FEBDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)n2C ZINC000184358710 547813227 /nfs/dbraw/zinc/81/32/27/547813227.db2.gz WPFJPGDZPRCRBF-UHFFFAOYSA-N -1 3 366.424 2.330 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000185245611 547958257 /nfs/dbraw/zinc/95/82/57/547958257.db2.gz FCZGENYLXHMOOW-UHFFFAOYSA-N -1 3 353.132 2.292 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186187518 548096394 /nfs/dbraw/zinc/09/63/94/548096394.db2.gz HLCDCNCJSSWLQI-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186817763 548199533 /nfs/dbraw/zinc/19/95/33/548199533.db2.gz AQCLCHORIHHEOS-UHFFFAOYSA-N -1 3 371.397 2.008 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000486816913 561357517 /nfs/dbraw/zinc/35/75/17/561357517.db2.gz DVHYOBWUDSOFAT-ZSBIGDGJSA-N -1 3 361.217 2.434 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1C ZINC000246656597 549183275 /nfs/dbraw/zinc/18/32/75/549183275.db2.gz ABBJLRNHBPOUNX-NILFDRSVSA-N -1 3 354.428 2.303 20 5 FEBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000248562824 549459007 /nfs/dbraw/zinc/45/90/07/549459007.db2.gz OHFJRIUXVSJQMO-UNEWFSDZSA-N -1 3 373.409 2.202 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000490090746 561426353 /nfs/dbraw/zinc/42/63/53/561426353.db2.gz OCVIRVJTGUHWJX-HNNXBMFYSA-N -1 3 356.444 2.369 20 5 FEBDHM CN(C)CCOc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000269169590 550163289 /nfs/dbraw/zinc/16/32/89/550163289.db2.gz HDEJGJHHUGKQBZ-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000270917943 550320888 /nfs/dbraw/zinc/32/08/88/550320888.db2.gz IPNQXPCCWLGISU-SNVBAGLBSA-N -1 3 369.374 2.178 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])nc1C(C)(C)C ZINC000270962128 550326036 /nfs/dbraw/zinc/32/60/36/550326036.db2.gz ZRHSAQDOOJGKHE-UHFFFAOYSA-N -1 3 353.360 2.111 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000278416454 550783451 /nfs/dbraw/zinc/78/34/51/550783451.db2.gz BUAOGQCWSBTGLJ-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c1C ZINC000282778216 551269119 /nfs/dbraw/zinc/26/91/19/551269119.db2.gz OXOSAAVJHBXKQP-AWEZNQCLSA-N -1 3 364.427 2.301 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n(C)n1 ZINC000284806555 551638433 /nfs/dbraw/zinc/63/84/33/551638433.db2.gz ZDWNZOJKZITUJO-UHFFFAOYSA-N -1 3 358.807 2.077 20 5 FEBDHM COc1ccc([N-]C(=O)c2csc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000499136188 561544430 /nfs/dbraw/zinc/54/44/30/561544430.db2.gz VLLNYPFJKZSVSQ-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000500102473 561566031 /nfs/dbraw/zinc/56/60/31/561566031.db2.gz MZIFSHGXIFOOMQ-AWEZNQCLSA-N -1 3 355.460 2.446 20 5 FEBDHM CC[C@@H](C)CO[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000292352083 552718896 /nfs/dbraw/zinc/71/88/96/552718896.db2.gz XLYAKOOHFVBQNE-LLVKDONJSA-N -1 3 351.359 2.377 20 5 FEBDHM COCC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000292789526 552758683 /nfs/dbraw/zinc/75/86/83/552758683.db2.gz LHQKYPUEDCQHLY-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c([N+](=O)[O-])c1 ZINC000505363305 561669960 /nfs/dbraw/zinc/66/99/60/561669960.db2.gz ZZRQYCRPSUFTKY-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1C(C)(C)C1(C)C ZINC000326102899 553779173 /nfs/dbraw/zinc/77/91/73/553779173.db2.gz ASDNJRIJLSUEKY-UHFFFAOYSA-N -1 3 356.400 2.094 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC000507508739 561731153 /nfs/dbraw/zinc/73/11/53/561731153.db2.gz YTNDMVOEGQUSRR-UHFFFAOYSA-N -1 3 360.395 2.072 20 5 FEBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330740722 554165047 /nfs/dbraw/zinc/16/50/47/554165047.db2.gz AWPJXAIITMMUBY-LBPRGKRZSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)c1C ZINC000331031438 554203428 /nfs/dbraw/zinc/20/34/28/554203428.db2.gz GNGLHHJRJPFVRD-CQSZACIVSA-N -1 3 355.460 2.363 20 5 FEBDHM Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N(C)C ZINC000510555705 561838691 /nfs/dbraw/zinc/83/86/91/561838691.db2.gz WJOXSYOOLNCGPC-LRDDRELGSA-N -1 3 358.398 2.425 20 5 FEBDHM Cc1nc(-c2cccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n[nH]1 ZINC000362185655 554955083 /nfs/dbraw/zinc/95/50/83/554955083.db2.gz XRRWKQQZOVSGDN-UHFFFAOYSA-N -1 3 373.394 2.167 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000516566512 562048483 /nfs/dbraw/zinc/04/84/83/562048483.db2.gz BYWJPUVYBGRIHQ-IUCAKERBSA-N -1 3 350.343 2.302 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000516811417 562058916 /nfs/dbraw/zinc/05/89/16/562058916.db2.gz HKRKAKVBCRWMRD-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000375090137 557976482 /nfs/dbraw/zinc/97/64/82/557976482.db2.gz KVXDGRNYILTMSG-LBPRGKRZSA-N -1 3 359.386 2.240 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C)C1 ZINC000392365424 558617358 /nfs/dbraw/zinc/61/73/58/558617358.db2.gz MWMSVEPRKKFHAG-MNOVXSKESA-N -1 3 356.400 2.096 20 5 FEBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000393544112 558621448 /nfs/dbraw/zinc/62/14/48/558621448.db2.gz BDBKCKFMJYKEDZ-UHFFFAOYSA-N -1 3 350.824 2.324 20 5 FEBDHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC ZINC000395700519 558622619 /nfs/dbraw/zinc/62/26/19/558622619.db2.gz GTXOCVGPVAJJSN-LKFCYVNXSA-N -1 3 358.416 2.078 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@]1(C)C(C)C ZINC000397163360 558623813 /nfs/dbraw/zinc/62/38/13/558623813.db2.gz XUHCXSFFEKAPIM-DZGCQCFKSA-N -1 3 356.400 2.094 20 5 FEBDHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408371599 558671722 /nfs/dbraw/zinc/67/17/22/558671722.db2.gz ZKBLKHJPOIRGIF-CQSZACIVSA-N -1 3 356.400 2.223 20 5 FEBDHM COc1cc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000414201117 559152812 /nfs/dbraw/zinc/15/28/12/559152812.db2.gz SLWARXXHCAULLY-MRXNPFEDSA-N -1 3 355.350 2.477 20 5 FEBDHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000414470434 559166933 /nfs/dbraw/zinc/16/69/33/559166933.db2.gz OSPLWVQYDLLUFL-NSHDSACASA-N -1 3 366.443 2.331 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416382727 559309047 /nfs/dbraw/zinc/30/90/47/559309047.db2.gz BDIKTYJYRPSXPJ-LBPRGKRZSA-N -1 3 368.333 2.319 20 5 FEBDHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416399746 559310184 /nfs/dbraw/zinc/31/01/84/559310184.db2.gz DYGGOJOCXKNIFB-JTQLQIEISA-N -1 3 370.349 2.299 20 5 FEBDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000416491679 559317232 /nfs/dbraw/zinc/31/72/32/559317232.db2.gz YVYLJRAYUQPHGF-NSHDSACASA-N -1 3 352.416 2.491 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000416613066 559325232 /nfs/dbraw/zinc/32/52/32/559325232.db2.gz ZQVATUFBVNQBIE-QMMMGPOBSA-N -1 3 356.322 2.470 20 5 FEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425013507 559683673 /nfs/dbraw/zinc/68/36/73/559683673.db2.gz QWFHIIRIUHJZKO-WMLDXEAASA-N -1 3 368.393 2.042 20 5 FEBDHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427799106 559762875 /nfs/dbraw/zinc/76/28/75/559762875.db2.gz POWBEVSFFROSFF-UHFFFAOYSA-N -1 3 367.365 2.110 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000431588722 559842008 /nfs/dbraw/zinc/84/20/08/559842008.db2.gz UGAMXBCOLXWCDZ-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c1 ZINC000436478477 559942693 /nfs/dbraw/zinc/94/26/93/559942693.db2.gz PJLSDNFRADSIJU-UHFFFAOYSA-N -1 3 363.330 2.320 20 5 FEBDHM COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436736875 559950293 /nfs/dbraw/zinc/95/02/93/559950293.db2.gz PHIVJNDKPZQZMA-INIZCTEOSA-N -1 3 359.382 2.342 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)no1 ZINC000443140847 560072421 /nfs/dbraw/zinc/07/24/21/560072421.db2.gz CIMHDWSUSOQTEZ-UHFFFAOYSA-N -1 3 368.415 2.371 20 5 FEBDHM COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c([O-])c1 ZINC000443560636 560087326 /nfs/dbraw/zinc/08/73/26/560087326.db2.gz REGFTECCBMBGAZ-UHFFFAOYSA-N -1 3 355.310 2.142 20 5 FEBDHM COc1cc(C(=O)[N-]c2nc3ccc(F)cn3n2)cc([N+](=O)[O-])c1OC ZINC000443936445 560096581 /nfs/dbraw/zinc/09/65/81/560096581.db2.gz OZPHGDYPDJMZHC-UHFFFAOYSA-N -1 3 361.289 2.046 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c([N+](=O)[O-])n1 ZINC000444054194 560100173 /nfs/dbraw/zinc/10/01/73/560100173.db2.gz DRHONFMLVSREHB-UHFFFAOYSA-N -1 3 374.325 2.093 20 5 FEBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000445697291 560133859 /nfs/dbraw/zinc/13/38/59/560133859.db2.gz OPYUDJWNVIIKEQ-JTQLQIEISA-N -1 3 367.383 2.047 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451863315 560333239 /nfs/dbraw/zinc/33/32/39/560333239.db2.gz VZIDOIPOWZKKNJ-BBRMVZONSA-N -1 3 358.460 2.471 20 5 FEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451947822 560339938 /nfs/dbraw/zinc/33/99/38/560339938.db2.gz QSUZSRSNAMXTET-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](O)CC ZINC000451985535 560342569 /nfs/dbraw/zinc/34/25/69/560342569.db2.gz WSGSRWQTUGDIGN-MNOVXSKESA-N -1 3 370.349 2.441 20 5 FEBDHM Cc1ccnc2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3NC(C)C)nn21 ZINC000456194359 560510426 /nfs/dbraw/zinc/51/04/26/560510426.db2.gz UTYCKVDBJOWZLO-UHFFFAOYSA-N -1 3 355.358 2.414 20 5 FEBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000462325870 560805875 /nfs/dbraw/zinc/80/58/75/560805875.db2.gz PTNGCKVIRWUQML-UHFFFAOYSA-N -1 3 352.416 2.167 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463863893 560827078 /nfs/dbraw/zinc/82/70/78/560827078.db2.gz GOQYQUJQOCIPJW-CABCVRRESA-N -1 3 372.443 2.474 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C[C@@H](C)C[C@H](C)C1 ZINC000469163222 560948734 /nfs/dbraw/zinc/94/87/34/560948734.db2.gz OUTHUAVNUWXXQV-QWRGUYRKSA-N -1 3 370.427 2.484 20 5 FEBDHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000469171698 560948891 /nfs/dbraw/zinc/94/88/91/560948891.db2.gz YQYCUMOAUGAHME-UHFFFAOYSA-N -1 3 353.375 2.278 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C)CCCC1 ZINC000469347595 560952976 /nfs/dbraw/zinc/95/29/76/560952976.db2.gz VWFJYEAQMCBUQD-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000470770095 560989425 /nfs/dbraw/zinc/98/94/25/560989425.db2.gz XMOCLBADMGOPJB-UHFFFAOYSA-N -1 3 370.818 2.342 20 5 FEBDHM Cn1cc(C(=O)NCc2ncccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473638841 561054829 /nfs/dbraw/zinc/05/48/29/561054829.db2.gz GJJJFEVKIPITPG-UHFFFAOYSA-N -1 3 353.338 2.026 20 5 FEBDHM Cc1nc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000476200871 561113050 /nfs/dbraw/zinc/11/30/50/561113050.db2.gz VVHBNGXXFTUXNS-UHFFFAOYSA-N -1 3 350.400 2.161 20 5 FEBDHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000476601056 561123917 /nfs/dbraw/zinc/12/39/17/561123917.db2.gz RPDKAXYZWHPXAF-MRVPVSSYSA-N -1 3 351.331 2.195 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CN1CCCCCC1 ZINC000476610214 561124187 /nfs/dbraw/zinc/12/41/87/561124187.db2.gz MEZYRTBXHMDELX-AWEZNQCLSA-N -1 3 355.460 2.446 20 5 FEBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532273850 562472278 /nfs/dbraw/zinc/47/22/78/562472278.db2.gz WHJYCCGGXSJAQW-UHFFFAOYSA-N -1 3 352.144 2.388 20 5 FEBDHM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000535162382 562552457 /nfs/dbraw/zinc/55/24/57/562552457.db2.gz MZQCXVGDTOVTHP-UHFFFAOYSA-N -1 3 353.356 2.109 20 5 FEBDHM CSC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOCC1 ZINC000821951297 599053339 /nfs/dbraw/zinc/05/33/39/599053339.db2.gz VZFVFDAJRXDQGR-UHFFFAOYSA-N -1 3 350.404 2.099 20 5 FEBDHM CSC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOCC1 ZINC000821951297 599053342 /nfs/dbraw/zinc/05/33/42/599053342.db2.gz VZFVFDAJRXDQGR-UHFFFAOYSA-N -1 3 350.404 2.099 20 5 FEBDHM COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1-c1nnn[n-]1 ZINC000821732895 599155714 /nfs/dbraw/zinc/15/57/14/599155714.db2.gz WQPYQXCQIYTERV-UHFFFAOYSA-N -1 3 351.326 2.337 20 5 FEBDHM COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1-c1nn[n-]n1 ZINC000821732895 599155717 /nfs/dbraw/zinc/15/57/17/599155717.db2.gz WQPYQXCQIYTERV-UHFFFAOYSA-N -1 3 351.326 2.337 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370120 598310823 /nfs/dbraw/zinc/31/08/23/598310823.db2.gz QBSYATWBCFDUHG-OAHLLOKOSA-N -1 3 367.369 2.138 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370120 598310824 /nfs/dbraw/zinc/31/08/24/598310824.db2.gz QBSYATWBCFDUHG-OAHLLOKOSA-N -1 3 367.369 2.138 20 5 FEBDHM COc1nc(C)cc(C)c1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737163637 598458850 /nfs/dbraw/zinc/45/88/50/598458850.db2.gz KXHBHZPPANQDTK-UHFFFAOYSA-N -1 3 355.358 2.407 20 5 FEBDHM COc1nc(C)cc(C)c1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737163637 598458852 /nfs/dbraw/zinc/45/88/52/598458852.db2.gz KXHBHZPPANQDTK-UHFFFAOYSA-N -1 3 355.358 2.407 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737243758 598531693 /nfs/dbraw/zinc/53/16/93/598531693.db2.gz WBNYATGOUJMUIG-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737243758 598531695 /nfs/dbraw/zinc/53/16/95/598531695.db2.gz WBNYATGOUJMUIG-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738223954 598568708 /nfs/dbraw/zinc/56/87/08/598568708.db2.gz YKLKZWMBJDKYAF-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736818106 598568783 /nfs/dbraw/zinc/56/87/83/598568783.db2.gz NLAZYOUQADXLER-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736818106 598568784 /nfs/dbraw/zinc/56/87/84/598568784.db2.gz NLAZYOUQADXLER-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736778896 598589357 /nfs/dbraw/zinc/58/93/57/598589357.db2.gz IDVRKDWDDIMWEK-UHFFFAOYSA-N -1 3 371.332 2.232 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736778896 598589360 /nfs/dbraw/zinc/58/93/60/598589360.db2.gz IDVRKDWDDIMWEK-UHFFFAOYSA-N -1 3 371.332 2.232 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000808341375 674454447 /nfs/dbraw/zinc/45/44/47/674454447.db2.gz WFYVYOOBPGOMKB-ZUZCIYMTSA-N -1 3 354.359 2.134 20 5 FEBDHM CC(=O)Nc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735485992 598756711 /nfs/dbraw/zinc/75/67/11/598756711.db2.gz YZCVPGCAZTXYDW-UHFFFAOYSA-N -1 3 367.369 2.388 20 5 FEBDHM CC(=O)Nc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735485992 598756713 /nfs/dbraw/zinc/75/67/13/598756713.db2.gz YZCVPGCAZTXYDW-UHFFFAOYSA-N -1 3 367.369 2.388 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc(-n2cncn2)c1 ZINC000738360419 599472982 /nfs/dbraw/zinc/47/29/82/599472982.db2.gz WMKSWYXEXCSYLT-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc(-n2cncn2)c1 ZINC000738360419 599472984 /nfs/dbraw/zinc/47/29/84/599472984.db2.gz WMKSWYXEXCSYLT-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000823644161 599496995 /nfs/dbraw/zinc/49/69/95/599496995.db2.gz GKKXNQJFJSBIOO-LLVKDONJSA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000823644161 599496998 /nfs/dbraw/zinc/49/69/98/599496998.db2.gz GKKXNQJFJSBIOO-LLVKDONJSA-N -1 3 355.358 2.304 20 5 FEBDHM Cc1c(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236340 607390624 /nfs/dbraw/zinc/39/06/24/607390624.db2.gz HXFAHSRTHGSKQL-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1c(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236340 607390626 /nfs/dbraw/zinc/39/06/26/607390626.db2.gz HXFAHSRTHGSKQL-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1c(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236265 607443271 /nfs/dbraw/zinc/44/32/71/607443271.db2.gz FPXHLIRCAWHZND-UHFFFAOYSA-N -1 3 356.317 2.404 20 5 FEBDHM Cc1c(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236265 607443272 /nfs/dbraw/zinc/44/32/72/607443272.db2.gz FPXHLIRCAWHZND-UHFFFAOYSA-N -1 3 356.317 2.404 20 5 FEBDHM Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)nc12 ZINC000826308342 607454243 /nfs/dbraw/zinc/45/42/43/607454243.db2.gz VFXPFKOUUXPFEY-UHFFFAOYSA-N -1 3 364.369 2.386 20 5 FEBDHM C[C@@H]1CCCN(CCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828265939 601248134 /nfs/dbraw/zinc/24/81/34/601248134.db2.gz NETVIUIYVYIKPP-SNVBAGLBSA-N -1 3 352.347 2.345 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000740152788 601972884 /nfs/dbraw/zinc/97/28/84/601972884.db2.gz LCKROIFHCQRMRW-CQSZACIVSA-N -1 3 364.402 2.306 20 5 FEBDHM CC(=O)c1ccc(OCCOc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824029101 607538911 /nfs/dbraw/zinc/53/89/11/607538911.db2.gz CYDBLHFBPDOTAN-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM CC(=O)c1ccc(OCCOc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000824029101 607538912 /nfs/dbraw/zinc/53/89/12/607538912.db2.gz CYDBLHFBPDOTAN-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000809814391 674511702 /nfs/dbraw/zinc/51/17/02/674511702.db2.gz KADQMELTTJNLFZ-QMMMGPOBSA-N -1 3 365.814 2.148 20 5 FEBDHM CC(C)[C@@](C)(CNC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000738774376 603138313 /nfs/dbraw/zinc/13/83/13/603138313.db2.gz WHHBXVBEBQCPRC-MRXNPFEDSA-N -1 3 353.375 2.233 20 5 FEBDHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809861309 674517941 /nfs/dbraw/zinc/51/79/41/674517941.db2.gz YWICKBNYMHNGBX-VIFPVBQESA-N -1 3 367.830 2.394 20 5 FEBDHM COC1CCN(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831536438 604271139 /nfs/dbraw/zinc/27/11/39/604271139.db2.gz DPWGEAHUAFWUPI-UHFFFAOYSA-N -1 3 357.794 2.469 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834104592 605817648 /nfs/dbraw/zinc/81/76/48/605817648.db2.gz DJNMEZUXCHBLMC-DJIMGWMZSA-N -1 3 363.414 2.483 20 5 FEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823037341 606130219 /nfs/dbraw/zinc/13/02/19/606130219.db2.gz VOYDVAXKADKLML-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM COC(=O)c1cc(NCc2ccc(-c3nnn[n-]3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821667881 606787632 /nfs/dbraw/zinc/78/76/32/606787632.db2.gz FPNFHDBENUGEKD-UHFFFAOYSA-N -1 3 368.353 2.482 20 5 FEBDHM COC(=O)c1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821667881 606787633 /nfs/dbraw/zinc/78/76/33/606787633.db2.gz FPNFHDBENUGEKD-UHFFFAOYSA-N -1 3 368.353 2.482 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823426608 606999462 /nfs/dbraw/zinc/99/94/62/606999462.db2.gz LTOLQHSEZFIQSD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823426608 606999463 /nfs/dbraw/zinc/99/94/63/606999463.db2.gz LTOLQHSEZFIQSD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM COc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000821708535 607246262 /nfs/dbraw/zinc/24/62/62/607246262.db2.gz RWYDMGRQCUNLFD-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000821708535 607246263 /nfs/dbraw/zinc/24/62/63/607246263.db2.gz RWYDMGRQCUNLFD-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM CC(C)c1nc2c(n1C)CCN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C2 ZINC000824364642 607841777 /nfs/dbraw/zinc/84/17/77/607841777.db2.gz OGRMAKFYSBMQQH-UHFFFAOYSA-N -1 3 368.401 2.195 20 5 FEBDHM CN(Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826004358 607848396 /nfs/dbraw/zinc/84/83/96/607848396.db2.gz UFAWCKPHFGOXGB-UHFFFAOYSA-N -1 3 368.332 2.358 20 5 FEBDHM Cc1ccc(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826291889 607863435 /nfs/dbraw/zinc/86/34/35/607863435.db2.gz ZVLVQEQFYIEXSD-UHFFFAOYSA-N -1 3 355.310 2.068 20 5 FEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826455830 607933147 /nfs/dbraw/zinc/93/31/47/607933147.db2.gz GDZGYFZISCSLTD-UHFFFAOYSA-N -1 3 365.353 2.365 20 5 FEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826455830 607933148 /nfs/dbraw/zinc/93/31/48/607933148.db2.gz GDZGYFZISCSLTD-UHFFFAOYSA-N -1 3 365.353 2.365 20 5 FEBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473346 607954788 /nfs/dbraw/zinc/95/47/88/607954788.db2.gz UJBGKGRXYDHXPE-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473346 607954789 /nfs/dbraw/zinc/95/47/89/607954789.db2.gz UJBGKGRXYDHXPE-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826440034 607977116 /nfs/dbraw/zinc/97/71/16/607977116.db2.gz VPTHRWYUUCMXEH-UHFFFAOYSA-N -1 3 353.342 2.139 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826440034 607977117 /nfs/dbraw/zinc/97/71/17/607977117.db2.gz VPTHRWYUUCMXEH-UHFFFAOYSA-N -1 3 353.342 2.139 20 5 FEBDHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ncc1[N+](=O)[O-] ZINC000826269669 608053245 /nfs/dbraw/zinc/05/32/45/608053245.db2.gz SODOEGRRLKDPNA-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ncc1[N+](=O)[O-] ZINC000826269669 608053246 /nfs/dbraw/zinc/05/32/46/608053246.db2.gz SODOEGRRLKDPNA-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM O=C(CCn1cccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409725 608161531 /nfs/dbraw/zinc/16/15/31/608161531.db2.gz MKVNHNAEHCONLG-UHFFFAOYSA-N -1 3 361.749 2.259 20 5 FEBDHM O=C(CCn1cccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409725 608161532 /nfs/dbraw/zinc/16/15/32/608161532.db2.gz MKVNHNAEHCONLG-UHFFFAOYSA-N -1 3 361.749 2.259 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826497815 608296362 /nfs/dbraw/zinc/29/63/62/608296362.db2.gz VTVYZFBIBZZMJJ-OLZOCXBDSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826497815 608296364 /nfs/dbraw/zinc/29/63/64/608296364.db2.gz VTVYZFBIBZZMJJ-OLZOCXBDSA-N -1 3 358.402 2.418 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826172480 608351582 /nfs/dbraw/zinc/35/15/82/608351582.db2.gz ISEIGTSOJMTENM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826172480 608351584 /nfs/dbraw/zinc/35/15/84/608351584.db2.gz ISEIGTSOJMTENM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1nn(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1[N+](=O)[O-] ZINC000826334981 609533493 /nfs/dbraw/zinc/53/34/93/609533493.db2.gz RYNQNDJWHINAQE-UHFFFAOYSA-N -1 3 370.417 2.396 20 5 FEBDHM Cc1nn(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1[N+](=O)[O-] ZINC000826334981 609533496 /nfs/dbraw/zinc/53/34/96/609533496.db2.gz RYNQNDJWHINAQE-UHFFFAOYSA-N -1 3 370.417 2.396 20 5 FEBDHM CO[C@@H]1Cc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2C1 ZINC000826147240 609592983 /nfs/dbraw/zinc/59/29/83/609592983.db2.gz QNNRRGFXPUWWQW-CYBMUJFWSA-N -1 3 353.342 2.027 20 5 FEBDHM CO[C@@H]1Cc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2C1 ZINC000826147240 609592985 /nfs/dbraw/zinc/59/29/85/609592985.db2.gz QNNRRGFXPUWWQW-CYBMUJFWSA-N -1 3 353.342 2.027 20 5 FEBDHM Cc1cccc(OCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826299997 609596933 /nfs/dbraw/zinc/59/69/33/609596933.db2.gz DGGLELFYQQTBJK-UHFFFAOYSA-N -1 3 355.358 2.359 20 5 FEBDHM Cc1cccc(OCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826299997 609596934 /nfs/dbraw/zinc/59/69/34/609596934.db2.gz DGGLELFYQQTBJK-UHFFFAOYSA-N -1 3 355.358 2.359 20 5 FEBDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000574083418 671200124 /nfs/dbraw/zinc/20/01/24/671200124.db2.gz BWFRLZVTXFCPMC-LBPRGKRZSA-N -1 3 366.370 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c(F)c1 ZINC000609598147 675928132 /nfs/dbraw/zinc/92/81/32/675928132.db2.gz DMCHCSIABKDCKN-OAHLLOKOSA-N -1 3 366.370 2.326 20 5 FEBDHM CCOc1cc(CN2CCC[C@](COC)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000579724046 671756494 /nfs/dbraw/zinc/75/64/94/671756494.db2.gz DZUMGRCWNDQBLV-KRWDZBQOSA-N -1 3 352.387 2.307 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc([N+](=O)[O-])c1F ZINC000132656943 672100119 /nfs/dbraw/zinc/10/01/19/672100119.db2.gz BHSSZOOUJVIMBI-UHFFFAOYSA-N -1 3 358.322 2.475 20 5 FEBDHM CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000584617602 672203446 /nfs/dbraw/zinc/20/34/46/672203446.db2.gz YTDQJRWKYWYNQF-CYBMUJFWSA-N -1 3 350.419 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(CO)cc2)c(Cl)c1 ZINC000611417170 676036336 /nfs/dbraw/zinc/03/63/36/676036336.db2.gz VFORWUNJLFIOQH-UHFFFAOYSA-N -1 3 370.814 2.262 20 5 FEBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000593553789 672941346 /nfs/dbraw/zinc/94/13/46/672941346.db2.gz PMOIJMFTEGTDQJ-STQMWFEESA-N -1 3 355.416 2.006 20 5 FEBDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593571548 672947029 /nfs/dbraw/zinc/94/70/29/672947029.db2.gz GZCVTLPGMADOAW-BONVTDFDSA-N -1 3 369.374 2.183 20 5 FEBDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000593604789 672956140 /nfs/dbraw/zinc/95/61/40/672956140.db2.gz AGHUHNGWCMQHDP-JOCQHMNTSA-N -1 3 363.395 2.223 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000612675576 676092965 /nfs/dbraw/zinc/09/29/65/676092965.db2.gz XZUCJEJXKSPCMI-AWEZNQCLSA-N -1 3 372.349 2.026 20 5 FEBDHM COc1cnccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594788648 673142343 /nfs/dbraw/zinc/14/23/43/673142343.db2.gz SBPHGPOHVGVYKK-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H](C)CC1 ZINC000594834957 673157131 /nfs/dbraw/zinc/15/71/31/673157131.db2.gz GHFKSDVGACTYFQ-LGZQZNNBSA-N -1 3 374.390 2.134 20 5 FEBDHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462685696 673274830 /nfs/dbraw/zinc/27/48/30/673274830.db2.gz WTOYCKHMWSPRMG-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N-]C(=O)c1cccs1 ZINC000730645477 673286292 /nfs/dbraw/zinc/28/62/92/673286292.db2.gz NLGHDPGZLYPEQU-UHFFFAOYSA-N -1 3 368.754 2.423 20 5 FEBDHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000543975555 673680611 /nfs/dbraw/zinc/68/06/11/673680611.db2.gz VFSUHJRLZLGZTF-YUMQZZPRSA-N -1 3 356.322 2.051 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])s1 ZINC000601377639 673851571 /nfs/dbraw/zinc/85/15/71/673851571.db2.gz HHAWLHDDELURHM-JLLWLGSASA-N -1 3 358.441 2.201 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c([N+](=O)[O-])s1 ZINC000601417693 673858977 /nfs/dbraw/zinc/85/89/77/673858977.db2.gz ZZQQONBRQCCZKV-SNVBAGLBSA-N -1 3 354.409 2.419 20 5 FEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000746073746 673862790 /nfs/dbraw/zinc/86/27/90/673862790.db2.gz YNMMQQRFPIJXND-UHFFFAOYSA-N -1 3 360.709 2.489 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)c(F)c1 ZINC000601517620 673875885 /nfs/dbraw/zinc/87/58/85/673875885.db2.gz MZKPKOHMZYRWMQ-UHFFFAOYSA-N -1 3 366.370 2.285 20 5 FEBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000825567843 675659086 /nfs/dbraw/zinc/65/90/86/675659086.db2.gz OJODFXJJCQXSRR-UHFFFAOYSA-N -1 3 360.754 2.225 20 5 FEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000825567843 675659089 /nfs/dbraw/zinc/65/90/89/675659089.db2.gz OJODFXJJCQXSRR-UHFFFAOYSA-N -1 3 360.754 2.225 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2cccs2)c(F)c1 ZINC000751436627 680175134 /nfs/dbraw/zinc/17/51/34/680175134.db2.gz NIEGNVAVDWUNQI-LLVKDONJSA-N -1 3 360.388 2.197 20 5 FEBDHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000770496619 681017999 /nfs/dbraw/zinc/01/79/99/681017999.db2.gz IMSMQVKXPBIMPD-GXFFZTMASA-N -1 3 358.416 2.163 20 5 FEBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771767578 681068900 /nfs/dbraw/zinc/06/89/00/681068900.db2.gz DRGDJXKQIXWDAG-LLVKDONJSA-N -1 3 374.415 2.424 20 5 FEBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000778108847 681573193 /nfs/dbraw/zinc/57/31/93/681573193.db2.gz JEFYADMLUSTKEK-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849468035 681750895 /nfs/dbraw/zinc/75/08/95/681750895.db2.gz CCDMYHUWGLBAJH-LBPRGKRZSA-N -1 3 359.423 2.133 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000918194038 685537850 /nfs/dbraw/zinc/53/78/50/685537850.db2.gz QJUFPXYBGNCKRG-VXGBXAGGSA-N -1 3 359.423 2.275 20 5 FEBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC000790887511 682709949 /nfs/dbraw/zinc/70/99/49/682709949.db2.gz AKUZJKFWFXRZDY-UHFFFAOYSA-N -1 3 358.807 2.077 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000856749559 682804822 /nfs/dbraw/zinc/80/48/22/682804822.db2.gz IKXPNXKKDUCTEO-MRVPVSSYSA-N -1 3 369.226 2.466 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]C(C)(C)C(F)F)c(C)c1[N+](=O)[O-] ZINC000795241250 683031729 /nfs/dbraw/zinc/03/17/29/683031729.db2.gz LGOAFEJBTPGCOS-UHFFFAOYSA-N -1 3 367.330 2.442 20 5 FEBDHM COC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000796139738 683132637 /nfs/dbraw/zinc/13/26/37/683132637.db2.gz BHKAVHVNUJMZBR-UHFFFAOYSA-N -1 3 365.367 2.252 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921859392 683597291 /nfs/dbraw/zinc/59/72/91/683597291.db2.gz FBRHNLLIESAWBZ-JOYOIKCWSA-N -1 3 368.333 2.149 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921860555 683597536 /nfs/dbraw/zinc/59/75/36/683597536.db2.gz MJCYDNDHNINVAG-BXKDBHETSA-N -1 3 368.333 2.149 20 5 FEBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000910456434 685058919 /nfs/dbraw/zinc/05/89/19/685058919.db2.gz ONHFWPINBFCIOI-JTQLQIEISA-N -1 3 359.329 2.181 20 5 FEBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015357542 539616036 /nfs/dbraw/zinc/61/60/36/539616036.db2.gz OPQFVZPCQWCQOR-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000047031868 540286189 /nfs/dbraw/zinc/28/61/89/540286189.db2.gz GIKNSKHUIKPOHC-AWEZNQCLSA-N -1 3 365.411 2.303 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN(C)Cc1ccccc1 ZINC000053691017 540549917 /nfs/dbraw/zinc/54/99/17/540549917.db2.gz NITKDCOHNUDJKL-UHFFFAOYSA-N -1 3 363.439 2.314 20 5 FEBDHM CN(C)c1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056056784 540697454 /nfs/dbraw/zinc/69/74/54/540697454.db2.gz AQYVCQBWMOOFNA-UHFFFAOYSA-N -1 3 370.818 2.188 20 5 FEBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000066935685 541396461 /nfs/dbraw/zinc/39/64/61/541396461.db2.gz DOGDBGMVGUJPLM-UHFFFAOYSA-N -1 3 352.416 2.215 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069125367 541661266 /nfs/dbraw/zinc/66/12/66/541661266.db2.gz BDEHBIHVGDGXCF-SECBINFHSA-N -1 3 358.807 2.330 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccn1 ZINC000060498702 205285181 /nfs/dbraw/zinc/28/51/81/205285181.db2.gz PNXXCPYVZKCHLP-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000107705065 543276056 /nfs/dbraw/zinc/27/60/56/543276056.db2.gz PRKMIBSRYXHALM-UHFFFAOYSA-N -1 3 351.384 2.257 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000124012608 543796822 /nfs/dbraw/zinc/79/68/22/543796822.db2.gz DNAMAPVEXMJYFD-VHSXEESVSA-N -1 3 359.835 2.152 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cnn(-c2ccccc2)c1 ZINC000142130371 544416103 /nfs/dbraw/zinc/41/61/03/544416103.db2.gz VPVQAPOAHCSKNF-UHFFFAOYSA-N -1 3 372.406 2.302 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCCO)c(C(F)(F)F)c1 ZINC000180656340 327695862 /nfs/dbraw/zinc/69/58/62/327695862.db2.gz OAQUJTIXZMAABE-UHFFFAOYSA-N -1 3 370.349 2.445 20 5 FEBDHM CCc1ccc([C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000186760100 327980805 /nfs/dbraw/zinc/98/08/05/327980805.db2.gz RVGFWGAGRMONHI-MRXNPFEDSA-N -1 3 358.398 2.291 20 5 FEBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188142913 328069063 /nfs/dbraw/zinc/06/90/63/328069063.db2.gz HQPMBAVYTQCJOB-HNNXBMFYSA-N -1 3 356.382 2.262 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188901206 328116585 /nfs/dbraw/zinc/11/65/85/328116585.db2.gz DOVQKTUWMQSQBV-PWSUYJOCSA-N -1 3 362.835 2.386 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)c1[N+](=O)[O-] ZINC000189859405 328171852 /nfs/dbraw/zinc/17/18/52/328171852.db2.gz LIYINZOHHFOPEQ-LLVKDONJSA-N -1 3 352.416 2.023 20 5 FEBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000191043995 328247088 /nfs/dbraw/zinc/24/70/88/328247088.db2.gz JFCILZWQBHNASJ-PSASIEDQSA-N -1 3 368.333 2.459 20 5 FEBDHM CS(=O)(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000003819948 324345147 /nfs/dbraw/zinc/34/51/47/324345147.db2.gz ODQFOFUWHFEBBC-UHFFFAOYSA-N -1 3 360.351 2.127 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@H]1O ZINC000124826406 326460746 /nfs/dbraw/zinc/46/07/46/326460746.db2.gz MQVVXXPOVADEMB-KGLIPLIRSA-N -1 3 362.835 2.468 20 5 FEBDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157146732 326856242 /nfs/dbraw/zinc/85/62/42/326856242.db2.gz MAKICXVVSRBNHW-LLVKDONJSA-N -1 3 365.415 2.123 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000163387765 327050383 /nfs/dbraw/zinc/05/03/83/327050383.db2.gz KGSCAYSHWLDYEW-RKDXNWHRSA-N -1 3 368.333 2.317 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000164139748 327065188 /nfs/dbraw/zinc/06/51/88/327065188.db2.gz AVUHQYPEHZKKDT-AWEZNQCLSA-N -1 3 368.411 2.346 20 5 FEBDHM Cc1nc(C)c(CCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000172416123 327200615 /nfs/dbraw/zinc/20/06/15/327200615.db2.gz VQWFPEXFFRBWJG-UHFFFAOYSA-N -1 3 372.425 2.367 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000269812985 329551237 /nfs/dbraw/zinc/55/12/37/329551237.db2.gz USMDRHWALNSXAP-CQSZACIVSA-N -1 3 366.395 2.005 20 5 FEBDHM CCOC(CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])OCC ZINC000276425407 330150537 /nfs/dbraw/zinc/15/05/37/330150537.db2.gz WIBGTTQGWKUDTR-UHFFFAOYSA-N -1 3 360.432 2.279 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288709400 330187148 /nfs/dbraw/zinc/18/71/48/330187148.db2.gz XPCWKRZHKCQPNS-UHFFFAOYSA-N -1 3 351.384 2.081 20 5 FEBDHM CCn1nc(C)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C ZINC000157257036 545720178 /nfs/dbraw/zinc/72/01/78/545720178.db2.gz CCGFDZZLRXIYFY-UHFFFAOYSA-N -1 3 352.416 2.412 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000159562328 545963063 /nfs/dbraw/zinc/96/30/63/545963063.db2.gz OUZBKKJMQBMSMV-CYBMUJFWSA-N -1 3 362.835 2.468 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000479228053 561185373 /nfs/dbraw/zinc/18/53/73/561185373.db2.gz QRFAPYBLUXGPMX-SNVBAGLBSA-N -1 3 374.415 2.002 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([C@@H](C)O)cc1 ZINC000178617033 546820934 /nfs/dbraw/zinc/82/09/34/546820934.db2.gz JYPPKLXFVAUDPY-GFCCVEGCSA-N -1 3 350.396 2.435 20 5 FEBDHM Cc1nn2c(nnc2SCc2ccc([N+](=O)[O-])cc2Cl)[n-]c1=O ZINC000180990515 547226436 /nfs/dbraw/zinc/22/64/36/547226436.db2.gz UFXIVEUBOQENPB-UHFFFAOYSA-N -1 3 352.763 2.387 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)cc1C ZINC000182469592 547499057 /nfs/dbraw/zinc/49/90/57/547499057.db2.gz VCRYPZBLIMJJOF-ZDUSSCGKSA-N -1 3 356.425 2.285 20 5 FEBDHM Cc1ccc(-n2cnnn2)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000483839843 561284856 /nfs/dbraw/zinc/28/48/56/561284856.db2.gz TWCWVYCKZPSUQI-UHFFFAOYSA-N -1 3 364.325 2.008 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1nnc(C(C)C)s1 ZINC000490464085 561433635 /nfs/dbraw/zinc/43/36/35/561433635.db2.gz IWLCJPKKIBRCAQ-UHFFFAOYSA-N -1 3 370.456 2.399 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000263712583 549923666 /nfs/dbraw/zinc/92/36/66/549923666.db2.gz QSJMIFWQBHZRTN-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(CCC(=O)OC)cs2)c1[N+](=O)[O-] ZINC000268969482 550138678 /nfs/dbraw/zinc/13/86/78/550138678.db2.gz CWWYLYPNURGMSE-UHFFFAOYSA-N -1 3 367.387 2.085 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCSCC(C)C)cc1[N+](=O)[O-] ZINC000493572757 561456912 /nfs/dbraw/zinc/45/69/12/561456912.db2.gz MEIHJSYSHQSUCH-UHFFFAOYSA-N -1 3 366.436 2.410 20 5 FEBDHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271045184 550334726 /nfs/dbraw/zinc/33/47/26/550334726.db2.gz RTBZFVTWAMYRKA-UHFFFAOYSA-N -1 3 352.372 2.381 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000273667442 550507293 /nfs/dbraw/zinc/50/72/93/550507293.db2.gz YXXGDPSYKAETDN-VIFPVBQESA-N -1 3 356.429 2.411 20 5 FEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc2n(C)[nH]c(CC)c1-2 ZINC000280884670 551042149 /nfs/dbraw/zinc/04/21/49/551042149.db2.gz GJAHWPFROKTLHD-UHFFFAOYSA-N -1 3 358.358 2.418 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)c1[N+](=O)[O-] ZINC000281842260 551146651 /nfs/dbraw/zinc/14/66/51/551146651.db2.gz ARELELCUKPIFHQ-UHFFFAOYSA-N -1 3 367.431 2.037 20 5 FEBDHM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000282790124 551270587 /nfs/dbraw/zinc/27/05/87/551270587.db2.gz QEOGHNPRVGFMRT-KRWDZBQOSA-N -1 3 364.423 2.365 20 5 FEBDHM O=c1[n-]nc(SCc2c(F)cc([N+](=O)[O-])cc2F)n1C[C@@H]1CCCO1 ZINC000285139262 551710056 /nfs/dbraw/zinc/71/00/56/551710056.db2.gz LKNWWKVIYFMVKN-VIFPVBQESA-N -1 3 372.353 2.229 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@@H](O)c1ccccc1 ZINC000288528277 552169803 /nfs/dbraw/zinc/16/98/03/552169803.db2.gz ZNRAENKNJBDRIT-MEDUHNTESA-N -1 3 366.395 2.004 20 5 FEBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000289553539 552339726 /nfs/dbraw/zinc/33/97/26/552339726.db2.gz NFFPWNSKFOGYHZ-SFYZADRCSA-N -1 3 367.221 2.059 20 5 FEBDHM Cc1nc([N-]C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1C ZINC000293598191 552838899 /nfs/dbraw/zinc/83/88/99/552838899.db2.gz CQZGUFKDAJFRRT-UHFFFAOYSA-N -1 3 354.164 2.355 20 5 FEBDHM C[C@]1(C[C@H]2CCCN2c2nccc3cc([N+](=O)[O-])ccc32)NC(=O)[N-]C1=O ZINC000295644434 553038325 /nfs/dbraw/zinc/03/83/25/553038325.db2.gz FEPORPZHSVHUGG-FZKQIMNGSA-N -1 3 369.381 2.100 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC000324550807 553772430 /nfs/dbraw/zinc/77/24/30/553772430.db2.gz MCWQYQMLHMZIIA-OAHLLOKOSA-N -1 3 368.411 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000328331723 553793734 /nfs/dbraw/zinc/79/37/34/553793734.db2.gz SVLSULIFDLSSIV-UHFFFAOYSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000328417470 553794149 /nfs/dbraw/zinc/79/41/49/553794149.db2.gz RQUCDZNWBPGOKS-UHIISALHSA-N -1 3 370.427 2.484 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000330969815 554195437 /nfs/dbraw/zinc/19/54/37/554195437.db2.gz SWVPJYXMXDIYKU-UHIISALHSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN(C(C)C)C2)c1C ZINC000331031436 554203262 /nfs/dbraw/zinc/20/32/62/554203262.db2.gz GNGLHHJRJPFVRD-AWEZNQCLSA-N -1 3 355.460 2.363 20 5 FEBDHM Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N(C)C ZINC000510555706 561838548 /nfs/dbraw/zinc/83/85/48/561838548.db2.gz WJOXSYOOLNCGPC-MLGOLLRUSA-N -1 3 358.398 2.425 20 5 FEBDHM CC(=O)N1CCSc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc21 ZINC000361637056 554927522 /nfs/dbraw/zinc/92/75/22/554927522.db2.gz VOSYKXJKZDPLEZ-UHFFFAOYSA-N -1 3 374.378 2.406 20 5 FEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000513606080 561944312 /nfs/dbraw/zinc/94/43/12/561944312.db2.gz IDHZZYQWIDJBGR-UHFFFAOYSA-N -1 3 368.349 2.185 20 5 FEBDHM Cc1cc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367389702 556035477 /nfs/dbraw/zinc/03/54/77/556035477.db2.gz WTJKHKXCJBUYHM-AWEZNQCLSA-N -1 3 361.329 2.357 20 5 FEBDHM CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514707476 561975159 /nfs/dbraw/zinc/97/51/59/561975159.db2.gz BNHBKJPMUSMVJF-MRVPVSSYSA-N -1 3 367.387 2.040 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000368261954 556261655 /nfs/dbraw/zinc/26/16/55/556261655.db2.gz DTSWMVWRXLLIAF-CYBMUJFWSA-N -1 3 370.333 2.426 20 5 FEBDHM Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368996 556289674 /nfs/dbraw/zinc/28/96/74/556289674.db2.gz GJPYICXUZZMAAF-BBRMVZONSA-N -1 3 370.409 2.397 20 5 FEBDHM NC(=O)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1-c1ccccc1 ZINC000518911372 562120919 /nfs/dbraw/zinc/12/09/19/562120919.db2.gz LCXAYQCSEAEFQA-UHFFFAOYSA-N -1 3 369.312 2.271 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000373727464 557746039 /nfs/dbraw/zinc/74/60/39/557746039.db2.gz LBVSMBMBCVXBTE-SWLSCSKDSA-N -1 3 362.407 2.402 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3cccc(F)c32)c1 ZINC000374658105 557912871 /nfs/dbraw/zinc/91/28/71/557912871.db2.gz BAJHABKQFGDYKH-ZDUSSCGKSA-N -1 3 352.343 2.287 20 5 FEBDHM O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377164055 558279623 /nfs/dbraw/zinc/27/96/23/558279623.db2.gz FYBRYKMQAUGBRD-OAHLLOKOSA-N -1 3 370.409 2.337 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000522304869 562196729 /nfs/dbraw/zinc/19/67/29/562196729.db2.gz RHHBDQIXKBPTNK-UHFFFAOYSA-N -1 3 352.343 2.147 20 5 FEBDHM COc1ccc(CNC(=O)c2c[n-]c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000409952640 558729707 /nfs/dbraw/zinc/72/97/07/558729707.db2.gz XZCIDZSDRZBJIX-UHFFFAOYSA-N -1 3 353.334 2.375 20 5 FEBDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000525183177 562242128 /nfs/dbraw/zinc/24/21/28/562242128.db2.gz XCZXRCYJSIQWPI-LBPRGKRZSA-N -1 3 366.395 2.349 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000527043690 562274384 /nfs/dbraw/zinc/27/43/84/562274384.db2.gz IMHSLBDCVNWJCV-UHFFFAOYSA-N -1 3 368.411 2.096 20 5 FEBDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCc3ccc([N+](=O)[O-])cc3)cn21 ZINC000416376069 559308434 /nfs/dbraw/zinc/30/84/34/559308434.db2.gz XOCSKTKXHZAGAJ-LBPRGKRZSA-N -1 3 364.427 2.210 20 5 FEBDHM COC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416460341 559314620 /nfs/dbraw/zinc/31/46/20/559314620.db2.gz VIPDYVXHFBCVJF-UHFFFAOYSA-N -1 3 368.333 2.461 20 5 FEBDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])cn1C ZINC000416459544 559314638 /nfs/dbraw/zinc/31/46/38/559314638.db2.gz SERAFYURUAWEDR-LLVKDONJSA-N -1 3 352.416 2.491 20 5 FEBDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416469873 559315533 /nfs/dbraw/zinc/31/55/33/559315533.db2.gz KWHXGWXFABWSTN-UWVGGRQHSA-N -1 3 368.333 2.459 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000416485656 559316689 /nfs/dbraw/zinc/31/66/89/559316689.db2.gz GJWAYXGNCYVKTR-UHFFFAOYSA-N -1 3 366.317 2.239 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000427520533 559757280 /nfs/dbraw/zinc/75/72/80/559757280.db2.gz ZSYQAKSOPLVZSH-UHFFFAOYSA-N -1 3 365.367 2.227 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000436780301 559951773 /nfs/dbraw/zinc/95/17/73/559951773.db2.gz CGHUZMNPOUBVPI-UHFFFAOYSA-N -1 3 359.338 2.197 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436833503 559953728 /nfs/dbraw/zinc/95/37/28/559953728.db2.gz MGUWUSFCBTYGPL-HNNXBMFYSA-N -1 3 357.366 2.119 20 5 FEBDHM COC(=O)c1cc([N-]S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000438722526 559982889 /nfs/dbraw/zinc/98/28/89/559982889.db2.gz MLNWOFRGKRWHIL-GHMZBOCLSA-N -1 3 371.415 2.016 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C ZINC000443249158 560076221 /nfs/dbraw/zinc/07/62/21/560076221.db2.gz MCQQYQIHXBRRRE-HNNXBMFYSA-N -1 3 360.432 2.069 20 5 FEBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000443261812 560076616 /nfs/dbraw/zinc/07/66/16/560076616.db2.gz IBGXJZPBECBNJB-LBPRGKRZSA-N -1 3 368.333 2.053 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)cc1 ZINC000443277263 560077434 /nfs/dbraw/zinc/07/74/34/560077434.db2.gz VLZUSDVNJQPSOH-CQSZACIVSA-N -1 3 372.349 2.026 20 5 FEBDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443384267 560082639 /nfs/dbraw/zinc/08/26/39/560082639.db2.gz NIUAUJICSMQMON-JTQLQIEISA-N -1 3 354.359 2.349 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000443508121 560085905 /nfs/dbraw/zinc/08/59/05/560085905.db2.gz ICMWBCMYDDONIJ-WFASDCNBSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CCCC(C)(C)C1 ZINC000443969375 560097711 /nfs/dbraw/zinc/09/77/11/560097711.db2.gz PFFJUALACJAEGG-UHFFFAOYSA-N -1 3 355.460 2.304 20 5 FEBDHM COC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447019616 560155335 /nfs/dbraw/zinc/15/53/35/560155335.db2.gz XSYKMEOQKYZDIE-UHFFFAOYSA-N -1 3 367.221 2.061 20 5 FEBDHM CC[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000444858419 560122687 /nfs/dbraw/zinc/12/26/87/560122687.db2.gz MQYLQZLLACSCER-INIZCTEOSA-N -1 3 370.409 2.262 20 5 FEBDHM O=C(Cc1noc(-c2ccccc2[O-])n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445731588 560134410 /nfs/dbraw/zinc/13/44/10/560134410.db2.gz HVAWJZJNQQSGQU-UHFFFAOYSA-N -1 3 354.322 2.209 20 5 FEBDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000445743628 560134512 /nfs/dbraw/zinc/13/45/12/560134512.db2.gz RWJPHLBRDLKYPT-UHFFFAOYSA-N -1 3 358.416 2.327 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000452026820 560346445 /nfs/dbraw/zinc/34/64/45/560346445.db2.gz CQDDZKYEJMDGMW-KWQFWETISA-N -1 3 368.333 2.053 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000452028461 560346641 /nfs/dbraw/zinc/34/66/41/560346641.db2.gz HBVXCVDNFYSWMC-SNVBAGLBSA-N -1 3 356.400 2.223 20 5 FEBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000457123437 560550833 /nfs/dbraw/zinc/55/08/33/560550833.db2.gz NFRBRXOMSHSIPB-UHFFFAOYSA-N -1 3 353.285 2.376 20 5 FEBDHM CCc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000461631117 560778004 /nfs/dbraw/zinc/77/80/04/560778004.db2.gz NQPASHOKXJDUOT-UHFFFAOYSA-N -1 3 370.365 2.306 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C ZINC000461820837 560784924 /nfs/dbraw/zinc/78/49/24/560784924.db2.gz VASPELUKIGQBEO-MNOVXSKESA-N -1 3 356.400 2.096 20 5 FEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000462327888 560806068 /nfs/dbraw/zinc/80/60/68/560806068.db2.gz PQCOKZRUYJOABB-ZIAGYGMSSA-N -1 3 358.391 2.360 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000467394723 560909408 /nfs/dbraw/zinc/90/94/08/560909408.db2.gz QWVLRCSVIPRMCH-ZCFIWIBFSA-N -1 3 362.351 2.210 20 5 FEBDHM CO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000469302926 560952102 /nfs/dbraw/zinc/95/21/02/560952102.db2.gz QJZQHRCYFLPEJY-LLVKDONJSA-N -1 3 356.322 2.149 20 5 FEBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000474175245 561067653 /nfs/dbraw/zinc/06/76/53/561067653.db2.gz BNVSYSUADDQGMW-CYBMUJFWSA-N -1 3 368.386 2.270 20 5 FEBDHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736831565 598933591 /nfs/dbraw/zinc/93/35/91/598933591.db2.gz PIGALJFJUUTFOC-UHFFFAOYSA-N -1 3 364.369 2.298 20 5 FEBDHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736831565 598933592 /nfs/dbraw/zinc/93/35/92/598933592.db2.gz PIGALJFJUUTFOC-UHFFFAOYSA-N -1 3 364.369 2.298 20 5 FEBDHM CN(C)c1cccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821591011 607307092 /nfs/dbraw/zinc/30/70/92/607307092.db2.gz QHDFKZQXJQQLNL-UHFFFAOYSA-N -1 3 353.386 2.477 20 5 FEBDHM CN(C)c1cccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821591011 607307093 /nfs/dbraw/zinc/30/70/93/607307093.db2.gz QHDFKZQXJQQLNL-UHFFFAOYSA-N -1 3 353.386 2.477 20 5 FEBDHM COCCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821690570 607304558 /nfs/dbraw/zinc/30/45/58/607304558.db2.gz QNPUPNICXHAEST-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM COCCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821690570 607304559 /nfs/dbraw/zinc/30/45/59/607304559.db2.gz QNPUPNICXHAEST-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM O=[N+]([O-])c1cnc(N2Cc3ccccc3C(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000823650907 607331314 /nfs/dbraw/zinc/33/13/14/607331314.db2.gz DBSYRVIVVQRFJO-UHFFFAOYSA-N -1 3 359.296 2.282 20 5 FEBDHM O=[N+]([O-])c1cnc(N2Cc3ccccc3C(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000823650907 607331315 /nfs/dbraw/zinc/33/13/15/607331315.db2.gz DBSYRVIVVQRFJO-UHFFFAOYSA-N -1 3 359.296 2.282 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@]1(O)CCCc2ccccc21 ZINC000738358746 598557602 /nfs/dbraw/zinc/55/76/02/598557602.db2.gz ONDTWTDJNXUKCC-SFHVURJKSA-N -1 3 366.381 2.411 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@]1(O)CCCc2ccccc21 ZINC000738358746 598557604 /nfs/dbraw/zinc/55/76/04/598557604.db2.gz ONDTWTDJNXUKCC-SFHVURJKSA-N -1 3 366.381 2.411 20 5 FEBDHM Cc1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826260814 607358599 /nfs/dbraw/zinc/35/85/99/607358599.db2.gz FNOQKUKNLYTRLP-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826260814 607358601 /nfs/dbraw/zinc/35/86/01/607358601.db2.gz FNOQKUKNLYTRLP-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(OC)cc2Br)n1 ZINC000557509432 674451701 /nfs/dbraw/zinc/45/17/01/674451701.db2.gz GYBLKWNCBYCHHU-UHFFFAOYSA-N -1 3 370.163 2.230 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)nc1 ZINC000738368359 598798027 /nfs/dbraw/zinc/79/80/27/598798027.db2.gz CPUUGNFEWNGDQR-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)nc1 ZINC000738368359 598798029 /nfs/dbraw/zinc/79/80/29/598798029.db2.gz CPUUGNFEWNGDQR-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM CC(=O)NCc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735480941 598817002 /nfs/dbraw/zinc/81/70/02/598817002.db2.gz DLHLSYCZDNWNGJ-UHFFFAOYSA-N -1 3 353.342 2.155 20 5 FEBDHM CC(=O)NCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735480941 598817004 /nfs/dbraw/zinc/81/70/04/598817004.db2.gz DLHLSYCZDNWNGJ-UHFFFAOYSA-N -1 3 353.342 2.155 20 5 FEBDHM COc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821769748 599500183 /nfs/dbraw/zinc/50/01/83/599500183.db2.gz KKIQEXWVELKVJK-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM COc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821769748 599500186 /nfs/dbraw/zinc/50/01/86/599500186.db2.gz KKIQEXWVELKVJK-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cnn(C)c1 ZINC000820449748 599573832 /nfs/dbraw/zinc/57/38/32/599573832.db2.gz BWVQVCYLHNFLIJ-VIFPVBQESA-N -1 3 365.357 2.230 20 5 FEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cnn(C)c1 ZINC000820449748 599573835 /nfs/dbraw/zinc/57/38/35/599573835.db2.gz BWVQVCYLHNFLIJ-VIFPVBQESA-N -1 3 365.357 2.230 20 5 FEBDHM COC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821683479 599587821 /nfs/dbraw/zinc/58/78/21/599587821.db2.gz BNGWXWQLJDBXJV-AWEZNQCLSA-N -1 3 357.374 2.406 20 5 FEBDHM COC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821683479 599587823 /nfs/dbraw/zinc/58/78/23/599587823.db2.gz BNGWXWQLJDBXJV-AWEZNQCLSA-N -1 3 357.374 2.406 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826212502 607385863 /nfs/dbraw/zinc/38/58/63/607385863.db2.gz SUMNEYKEWGOGIN-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826212502 607385865 /nfs/dbraw/zinc/38/58/65/607385865.db2.gz SUMNEYKEWGOGIN-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CN(C)C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737361313 599855210 /nfs/dbraw/zinc/85/52/10/599855210.db2.gz RXLVBVJVMHFMAD-INIZCTEOSA-N -1 3 357.366 2.326 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000826427794 607416584 /nfs/dbraw/zinc/41/65/84/607416584.db2.gz AZUCTIHSMKZVPP-UHFFFAOYSA-N -1 3 356.367 2.256 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000826427794 607416586 /nfs/dbraw/zinc/41/65/86/607416586.db2.gz AZUCTIHSMKZVPP-UHFFFAOYSA-N -1 3 356.367 2.256 20 5 FEBDHM Cc1c(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000826236555 607443438 /nfs/dbraw/zinc/44/34/38/607443438.db2.gz QZHIKHGVBNSXKA-UHFFFAOYSA-N -1 3 357.301 2.371 20 5 FEBDHM Cc1c(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000826236555 607443439 /nfs/dbraw/zinc/44/34/39/607443439.db2.gz QZHIKHGVBNSXKA-UHFFFAOYSA-N -1 3 357.301 2.371 20 5 FEBDHM CCCCOCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825291222 607524358 /nfs/dbraw/zinc/52/43/58/607524358.db2.gz OKFCXQWCIKAKLK-UHFFFAOYSA-N -1 3 354.754 2.184 20 5 FEBDHM CCCCOCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825291222 607524359 /nfs/dbraw/zinc/52/43/59/607524359.db2.gz OKFCXQWCIKAKLK-UHFFFAOYSA-N -1 3 354.754 2.184 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC1 ZINC000809808243 674510884 /nfs/dbraw/zinc/51/08/84/674510884.db2.gz LKTTYAFNJLZWQN-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(COC(=O)Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205847 607595830 /nfs/dbraw/zinc/59/58/30/607595830.db2.gz PZHMAGBKJVXAKT-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(COC(=O)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205847 607595832 /nfs/dbraw/zinc/59/58/32/607595832.db2.gz PZHMAGBKJVXAKT-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM C[C@@H](O)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698457 607737866 /nfs/dbraw/zinc/73/78/66/607737866.db2.gz LETVPWHJCGTZPR-GHMZBOCLSA-N -1 3 369.385 2.063 20 5 FEBDHM C[C@@H](O)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698457 607737867 /nfs/dbraw/zinc/73/78/67/607737867.db2.gz LETVPWHJCGTZPR-GHMZBOCLSA-N -1 3 369.385 2.063 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834104596 605817432 /nfs/dbraw/zinc/81/74/32/605817432.db2.gz DJNMEZUXCHBLMC-UAGQMJEPSA-N -1 3 363.414 2.483 20 5 FEBDHM COc1ccccc1OCCN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821904436 606645869 /nfs/dbraw/zinc/64/58/69/606645869.db2.gz VKTNCLQYVBWEEF-UHFFFAOYSA-N -1 3 370.369 2.299 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2cccs2)CC1 ZINC000823629847 606877020 /nfs/dbraw/zinc/87/70/20/606877020.db2.gz JMJROVPFEXTBFM-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2cccs2)CC1 ZINC000823629847 606877022 /nfs/dbraw/zinc/87/70/22/606877022.db2.gz JMJROVPFEXTBFM-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCOC3(C2)CCCCCC3)c(-c2nnn[n-]2)c1 ZINC000823651758 606878969 /nfs/dbraw/zinc/87/89/69/606878969.db2.gz OZKMQUXGOWUEOM-UHFFFAOYSA-N -1 3 359.390 2.100 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCOC3(C2)CCCCCC3)c(-c2nn[n-]n2)c1 ZINC000823651758 606878970 /nfs/dbraw/zinc/87/89/70/606878970.db2.gz OZKMQUXGOWUEOM-UHFFFAOYSA-N -1 3 359.390 2.100 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cnn(CC(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823639431 606882588 /nfs/dbraw/zinc/88/25/88/606882588.db2.gz AGBVHVFKBOEOSN-UHFFFAOYSA-N -1 3 368.279 2.146 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cnn(CC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823639431 606882589 /nfs/dbraw/zinc/88/25/89/606882589.db2.gz AGBVHVFKBOEOSN-UHFFFAOYSA-N -1 3 368.279 2.146 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823426437 606901753 /nfs/dbraw/zinc/90/17/53/606901753.db2.gz IPTZSBAWANBNCE-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823426437 606901754 /nfs/dbraw/zinc/90/17/54/606901754.db2.gz IPTZSBAWANBNCE-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000823629896 607019131 /nfs/dbraw/zinc/01/91/31/607019131.db2.gz LDOMAOUYZHIPJX-UHFFFAOYSA-N -1 3 362.353 2.255 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000823629896 607019133 /nfs/dbraw/zinc/01/91/33/607019133.db2.gz LDOMAOUYZHIPJX-UHFFFAOYSA-N -1 3 362.353 2.255 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826497364 607936849 /nfs/dbraw/zinc/93/68/49/607936849.db2.gz FDOODIVYFUIDLH-HIFRSBDPSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826497364 607936850 /nfs/dbraw/zinc/93/68/50/607936850.db2.gz FDOODIVYFUIDLH-HIFRSBDPSA-N -1 3 370.344 2.226 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824009942 607972970 /nfs/dbraw/zinc/97/29/70/607972970.db2.gz FZCZAKXLVMAQTB-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499801 608376503 /nfs/dbraw/zinc/37/65/03/608376503.db2.gz YAHQJVFSQFDVAO-UHFFFAOYSA-N -1 3 369.385 2.430 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499801 608376505 /nfs/dbraw/zinc/37/65/05/608376505.db2.gz YAHQJVFSQFDVAO-UHFFFAOYSA-N -1 3 369.385 2.430 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826500731 608583442 /nfs/dbraw/zinc/58/34/42/608583442.db2.gz KFLUYAKGZDDFOY-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826500731 608583444 /nfs/dbraw/zinc/58/34/44/608583444.db2.gz KFLUYAKGZDDFOY-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000824832017 608798314 /nfs/dbraw/zinc/79/83/14/608798314.db2.gz QGYWOQXNIJRQKU-UHFFFAOYSA-N -1 3 351.370 2.387 20 5 FEBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000824832017 608798317 /nfs/dbraw/zinc/79/83/17/608798317.db2.gz QGYWOQXNIJRQKU-UHFFFAOYSA-N -1 3 351.370 2.387 20 5 FEBDHM C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891524 608800383 /nfs/dbraw/zinc/80/03/83/608800383.db2.gz AQPYULMKMNZSKR-NXEZZACHSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891524 608800384 /nfs/dbraw/zinc/80/03/84/608800384.db2.gz AQPYULMKMNZSKR-NXEZZACHSA-N -1 3 355.358 2.303 20 5 FEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826362856 609614888 /nfs/dbraw/zinc/61/48/88/609614888.db2.gz LWZOFLMEXYSHAC-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826362856 609614889 /nfs/dbraw/zinc/61/48/89/609614889.db2.gz LWZOFLMEXYSHAC-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824715716 609631736 /nfs/dbraw/zinc/63/17/36/609631736.db2.gz UMUMPZMRJHKKQD-ZUZCIYMTSA-N -1 3 369.337 2.113 20 5 FEBDHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824715716 609631737 /nfs/dbraw/zinc/63/17/37/609631737.db2.gz UMUMPZMRJHKKQD-ZUZCIYMTSA-N -1 3 369.337 2.113 20 5 FEBDHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811832144 674632135 /nfs/dbraw/zinc/63/21/35/674632135.db2.gz MBQOKKFWQGUIBW-UHFFFAOYSA-N -1 3 369.786 2.409 20 5 FEBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815014706 674896362 /nfs/dbraw/zinc/89/63/62/674896362.db2.gz YSFFDWQDWREGOE-SECBINFHSA-N -1 3 365.814 2.007 20 5 FEBDHM CN(C)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815035379 674904329 /nfs/dbraw/zinc/90/43/29/674904329.db2.gz KIABAJFPWYZKGH-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056108569 670359255 /nfs/dbraw/zinc/35/92/55/670359255.db2.gz IMKDVLLROWGPDJ-MRVPVSSYSA-N -1 3 358.807 2.330 20 5 FEBDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572012 670768400 /nfs/dbraw/zinc/76/84/00/670768400.db2.gz HCQZOYDKUCWWOE-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000565964128 675164744 /nfs/dbraw/zinc/16/47/44/675164744.db2.gz HVCUWWBJAUYQHH-AWEZNQCLSA-N -1 3 362.835 2.468 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2csc(NC(C)=O)n2)cc([N+](=O)[O-])c1 ZINC000609884758 675941184 /nfs/dbraw/zinc/94/11/84/675941184.db2.gz DJQMBUXTJSXHHB-UHFFFAOYSA-N -1 3 364.339 2.049 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000610590648 675983513 /nfs/dbraw/zinc/98/35/13/675983513.db2.gz JOMXKXWVHXBHDB-UHFFFAOYSA-N -1 3 368.367 2.151 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589922765 672547901 /nfs/dbraw/zinc/54/79/01/672547901.db2.gz NUDABNPNFOZVJC-JOYOIKCWSA-N -1 3 368.333 2.027 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(CO)cc1 ZINC000611417186 676036306 /nfs/dbraw/zinc/03/63/06/676036306.db2.gz XGYXVFZEAVHVJH-UHFFFAOYSA-N -1 3 370.814 2.262 20 5 FEBDHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000592076138 672749005 /nfs/dbraw/zinc/74/90/05/672749005.db2.gz VGYZERUVYRLMKS-AWEZNQCLSA-N -1 3 372.443 2.035 20 5 FEBDHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593526856 672934015 /nfs/dbraw/zinc/93/40/15/672934015.db2.gz KABLTDAGPQCYDC-CYBMUJFWSA-N -1 3 365.411 2.436 20 5 FEBDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593592236 672953321 /nfs/dbraw/zinc/95/33/21/672953321.db2.gz UJWLFVCOSMDQIL-LSDHHAIUSA-N -1 3 363.395 2.223 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cccc32)nc1 ZINC000593605212 672956029 /nfs/dbraw/zinc/95/60/29/672956029.db2.gz ZTJRTQLIFGAELB-CQSZACIVSA-N -1 3 351.359 2.485 20 5 FEBDHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000594863309 673169679 /nfs/dbraw/zinc/16/96/79/673169679.db2.gz HGXAOBNDYPFJFY-STQMWFEESA-N -1 3 369.443 2.394 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000544112560 673691027 /nfs/dbraw/zinc/69/10/27/673691027.db2.gz KNEPNCMOOMMNKY-SECBINFHSA-N -1 3 368.333 2.319 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601320018 673842189 /nfs/dbraw/zinc/84/21/89/673842189.db2.gz CWKZZICEUFDZJM-LURJTMIESA-N -1 3 362.351 2.210 20 5 FEBDHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000820792088 675388677 /nfs/dbraw/zinc/38/86/77/675388677.db2.gz MKUYZRVFMQLBSE-HNNXBMFYSA-N -1 3 368.386 2.363 20 5 FEBDHM O=C([N-][C@H]1CCCc2c[nH]nc21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586372 681584184 /nfs/dbraw/zinc/58/41/84/681584184.db2.gz YKCUOJAXYZMBGK-LBPRGKRZSA-N -1 3 352.297 2.483 20 5 FEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000855133965 682631646 /nfs/dbraw/zinc/63/16/46/682631646.db2.gz XUNZMETVCJMWPG-UHFFFAOYSA-N -1 3 374.777 2.407 20 5 FEBDHM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796014018 683118388 /nfs/dbraw/zinc/11/83/88/683118388.db2.gz JODWPKORTMWMNN-OAHLLOKOSA-N -1 3 368.386 2.308 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000920924888 683378694 /nfs/dbraw/zinc/37/86/94/683378694.db2.gz RMDBVDGOIXQLNR-APPZFPTMSA-N -1 3 374.362 2.353 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C2CC3(C2)CO[C@H](C)C3)c(F)cc1[N+](=O)[O-] ZINC000907730386 691548439 /nfs/dbraw/zinc/54/84/39/691548439.db2.gz CGVLJMWQVCOMCE-RWWNRMGGSA-N -1 3 358.391 2.278 20 5 FEBDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000022959839 539703673 /nfs/dbraw/zinc/70/36/73/539703673.db2.gz QJEIKDMSXDDQJM-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM CNC(=O)c1ccc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000024923326 539744408 /nfs/dbraw/zinc/74/44/08/539744408.db2.gz UGPBLPKJQUOBFW-UHFFFAOYSA-N -1 3 353.338 2.391 20 5 FEBDHM CN(C)C(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000046327605 540252223 /nfs/dbraw/zinc/25/22/23/540252223.db2.gz BSRAFUMMCKODFG-UHFFFAOYSA-N -1 3 353.338 2.425 20 5 FEBDHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)oc1C ZINC000046803208 540271135 /nfs/dbraw/zinc/27/11/35/540271135.db2.gz PVZRNGRXXNLXJM-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM C[C@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)NC(=O)[N-]C1=O ZINC000054774042 540608584 /nfs/dbraw/zinc/60/85/84/540608584.db2.gz KZBBXXXZJVEGOV-QGZVFWFLSA-N -1 3 372.312 2.041 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCCC1 ZINC000056021411 540694887 /nfs/dbraw/zinc/69/48/87/540694887.db2.gz BOABKULRWAMYHB-UHFFFAOYSA-N -1 3 374.390 2.278 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1OC ZINC000056118727 540704367 /nfs/dbraw/zinc/70/43/67/540704367.db2.gz XAFIOIRFXAUPCD-UHFFFAOYSA-N -1 3 352.368 2.091 20 5 FEBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc([N+](=O)[O-])ccc1OC ZINC000061413332 541130127 /nfs/dbraw/zinc/13/01/27/541130127.db2.gz PPWPQKPBMGQPAP-UHFFFAOYSA-N -1 3 365.367 2.074 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000064243001 541195780 /nfs/dbraw/zinc/19/57/80/541195780.db2.gz LHFIPMJKHWBDLE-LBPRGKRZSA-N -1 3 373.431 2.377 20 5 FEBDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066938436 541397988 /nfs/dbraw/zinc/39/79/88/541397988.db2.gz DKKDWHWOCUVDSM-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000107419471 543270437 /nfs/dbraw/zinc/27/04/37/543270437.db2.gz PHORTDUNKOLJRS-INIZCTEOSA-N -1 3 364.423 2.272 20 5 FEBDHM O=C(Nc1ccn(CC(F)(F)F)n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000124012865 543796806 /nfs/dbraw/zinc/79/68/06/543796806.db2.gz LXMMXYQBDJDEKA-UHFFFAOYSA-N -1 3 354.248 2.482 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000126260404 543926345 /nfs/dbraw/zinc/92/63/45/543926345.db2.gz PWSKINDEYJZDDS-ONGXEEELSA-N -1 3 359.835 2.152 20 5 FEBDHM CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181964758 327754926 /nfs/dbraw/zinc/75/49/26/327754926.db2.gz QZOOJNBODKZZCA-UHFFFAOYSA-N -1 3 359.386 2.406 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c1C ZINC000184281183 327859640 /nfs/dbraw/zinc/85/96/40/327859640.db2.gz YMRBRXYRRVETOD-GFCCVEGCSA-N -1 3 354.384 2.207 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000185038479 327896397 /nfs/dbraw/zinc/89/63/97/327896397.db2.gz UAMFERFGTOTYQP-HUUCEWRRSA-N -1 3 360.407 2.262 20 5 FEBDHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186754905 327980537 /nfs/dbraw/zinc/98/05/37/327980537.db2.gz ULBOPSVHMBEPIP-CQSZACIVSA-N -1 3 360.370 2.245 20 5 FEBDHM Cc1ccccc1CN1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186962299 327993633 /nfs/dbraw/zinc/99/36/33/327993633.db2.gz MZUNXJOOVOMLGI-UHFFFAOYSA-N -1 3 370.409 2.398 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188901185 328116699 /nfs/dbraw/zinc/11/66/99/328116699.db2.gz DOVQKTUWMQSQBV-ZYHUDNBSSA-N -1 3 362.835 2.386 20 5 FEBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190009292 328182262 /nfs/dbraw/zinc/18/22/62/328182262.db2.gz KJPXWNRKGBYJIS-UHFFFAOYSA-N -1 3 366.443 2.475 20 5 FEBDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101569006 325472678 /nfs/dbraw/zinc/47/26/78/325472678.db2.gz WHWDTEJBFXGGCN-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM O=C(Nc1cnn(CC(F)(F)F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000118348001 326088657 /nfs/dbraw/zinc/08/86/57/326088657.db2.gz BDUJUOAXELDRRS-UHFFFAOYSA-N -1 3 354.248 2.482 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CCCC1 ZINC000119572128 326176954 /nfs/dbraw/zinc/17/69/54/326176954.db2.gz IJZVTLHBYYODQD-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124666113 326458009 /nfs/dbraw/zinc/45/80/09/326458009.db2.gz AYLCHAQVQMJAFX-QMMMGPOBSA-N -1 3 372.472 2.225 20 5 FEBDHM CCn1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1=O ZINC000152317749 326704208 /nfs/dbraw/zinc/70/42/08/326704208.db2.gz MKHZMDMTHDYTPL-UHFFFAOYSA-N -1 3 351.384 2.194 20 5 FEBDHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(F)cc2N1 ZINC000156919982 326848195 /nfs/dbraw/zinc/84/81/95/326848195.db2.gz QDQSPHSBWHKTSU-UHFFFAOYSA-N -1 3 365.342 2.419 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000173228544 327242816 /nfs/dbraw/zinc/24/28/16/327242816.db2.gz TTXBXRVJBYWSFK-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnn1C ZINC000178292450 327576920 /nfs/dbraw/zinc/57/69/20/327576920.db2.gz RUMDKCDHDLMBGO-LLVKDONJSA-N -1 3 352.416 2.293 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000271711552 329717881 /nfs/dbraw/zinc/71/78/81/329717881.db2.gz RPHXFZHISQIWIA-SMDDNHRTSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)Cn2ccnc2)c1 ZINC000272415591 329779254 /nfs/dbraw/zinc/77/92/54/329779254.db2.gz CYYYGYONUHAAHE-JTQLQIEISA-N -1 3 358.807 2.120 20 5 FEBDHM O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272649297 329801585 /nfs/dbraw/zinc/80/15/85/329801585.db2.gz ZARQVXMGEJIIGA-UHFFFAOYSA-N -1 3 356.382 2.090 20 5 FEBDHM C[C@H]1CCNC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840967 330276463 /nfs/dbraw/zinc/27/64/63/330276463.db2.gz CGQDLTAJVRDALB-XVKPBYJWSA-N -1 3 368.242 2.178 20 5 FEBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000155605604 545548554 /nfs/dbraw/zinc/54/85/54/545548554.db2.gz KJJYLFHERNUXKR-UHFFFAOYSA-N -1 3 369.365 2.232 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000155807396 545571541 /nfs/dbraw/zinc/57/15/41/545571541.db2.gz TYNUQLPYDJKAAQ-GLQYFDAESA-N -1 3 352.412 2.139 20 5 FEBDHM COc1cc(CNC[C@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000157803402 545786683 /nfs/dbraw/zinc/78/66/83/545786683.db2.gz JNQSAEHGICVJTB-KRWDZBQOSA-N -1 3 350.346 2.445 20 5 FEBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000157964574 545806759 /nfs/dbraw/zinc/80/67/59/545806759.db2.gz WUCWVXLZTATKQO-CQSZACIVSA-N -1 3 363.414 2.017 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCO[C@@H]1CC(C)C ZINC000478774602 561174608 /nfs/dbraw/zinc/17/46/08/561174608.db2.gz SXETYFKXNRWATB-UONOGXRCSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000479765741 561196539 /nfs/dbraw/zinc/19/65/39/561196539.db2.gz WNWRYNNSNMFOEP-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000479765741 561196540 /nfs/dbraw/zinc/19/65/40/561196540.db2.gz WNWRYNNSNMFOEP-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000479765741 561196541 /nfs/dbraw/zinc/19/65/41/561196541.db2.gz WNWRYNNSNMFOEP-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2(C)CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000480444384 561209434 /nfs/dbraw/zinc/20/94/34/561209434.db2.gz HQDGDRGUZMECMM-UHFFFAOYSA-N -1 3 372.443 2.477 20 5 FEBDHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000480951390 561220935 /nfs/dbraw/zinc/22/09/35/561220935.db2.gz LHLHHYSKBIDJMB-TVQRCGJNSA-N -1 3 358.416 2.078 20 5 FEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CC(C)C ZINC000481052856 561223916 /nfs/dbraw/zinc/22/39/16/561223916.db2.gz DJLJZCSCBIKXGC-CYBMUJFWSA-N -1 3 372.443 2.325 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000481079042 561224727 /nfs/dbraw/zinc/22/47/27/561224727.db2.gz WVKQYAOXVFFJQQ-AWEZNQCLSA-N -1 3 362.407 2.494 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000481493527 561233994 /nfs/dbraw/zinc/23/39/94/561233994.db2.gz QGEIZNHRUAURJE-SNVBAGLBSA-N -1 3 350.462 2.430 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000481575526 561236429 /nfs/dbraw/zinc/23/64/29/561236429.db2.gz UUDHUEOHAMHAGS-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000180074385 547047535 /nfs/dbraw/zinc/04/75/35/547047535.db2.gz QREDXWBLLSIRBE-HNNXBMFYSA-N -1 3 368.411 2.346 20 5 FEBDHM Cc1nc(COc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)no1 ZINC000484740494 561305056 /nfs/dbraw/zinc/30/50/56/561305056.db2.gz NEDDNNKWTXNVCG-UHFFFAOYSA-N -1 3 371.309 2.218 20 5 FEBDHM CCOc1cccc(NCC[N-]S(=O)(=O)c2cccs2)c1[N+](=O)[O-] ZINC000184138195 547775455 /nfs/dbraw/zinc/77/54/55/547775455.db2.gz YZZAFHLMTUDALL-UHFFFAOYSA-N -1 3 371.440 2.445 20 5 FEBDHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185939338 548062307 /nfs/dbraw/zinc/06/23/07/548062307.db2.gz FDLPVGYVKJPVFW-ZDUSSCGKSA-N -1 3 365.415 2.123 20 5 FEBDHM O=C(Nc1nc(CN2CCCCC2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186838605 548202619 /nfs/dbraw/zinc/20/26/19/548202619.db2.gz CWJHAVUAPZPZHD-UHFFFAOYSA-N -1 3 363.399 2.390 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249265186 549574042 /nfs/dbraw/zinc/57/40/42/549574042.db2.gz ZMMPRVTWZMFKJW-OCCSQVGLSA-N -1 3 355.460 2.302 20 5 FEBDHM COc1nnc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)[n-]1 ZINC000490711186 561437502 /nfs/dbraw/zinc/43/75/02/561437502.db2.gz RAJQQCDFZYDJEE-JTQLQIEISA-N -1 3 360.374 2.210 20 5 FEBDHM COc1nc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[n-]1 ZINC000490711186 561437503 /nfs/dbraw/zinc/43/75/03/561437503.db2.gz RAJQQCDFZYDJEE-JTQLQIEISA-N -1 3 360.374 2.210 20 5 FEBDHM COc1n[n-]c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000490711186 561437504 /nfs/dbraw/zinc/43/75/04/561437504.db2.gz RAJQQCDFZYDJEE-JTQLQIEISA-N -1 3 360.374 2.210 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)c1C ZINC000268898276 550128833 /nfs/dbraw/zinc/12/88/33/550128833.db2.gz VWNGEVOCSWMMGS-UHFFFAOYSA-N -1 3 370.427 2.176 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271655996 550392595 /nfs/dbraw/zinc/39/25/95/550392595.db2.gz IVUDTIXMHYAXAK-LDYMZIIASA-N -1 3 374.312 2.022 20 5 FEBDHM CN(C)CCOc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272463925 550450507 /nfs/dbraw/zinc/45/05/07/550450507.db2.gz CTKVGNGDAVNDHF-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM CN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000279340137 550879316 /nfs/dbraw/zinc/87/93/16/550879316.db2.gz IFVMQKLPDYZHFD-UHFFFAOYSA-N -1 3 368.242 2.274 20 5 FEBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n[nH]2)o1 ZINC000497741446 561507702 /nfs/dbraw/zinc/50/77/02/561507702.db2.gz CDRWTNDOGLHWQH-UHFFFAOYSA-N -1 3 371.309 2.305 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000283737239 551419391 /nfs/dbraw/zinc/41/93/91/551419391.db2.gz IQJBHMXQKRHESN-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1c(C)noc1C ZINC000285514755 551768192 /nfs/dbraw/zinc/76/81/92/551768192.db2.gz REUXXBXJBBJMIU-UHFFFAOYSA-N -1 3 369.399 2.422 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCSC(C)C)cc1[N+](=O)[O-] ZINC000286682553 551914096 /nfs/dbraw/zinc/91/40/96/551914096.db2.gz LIGYOPDVLZFXAD-UHFFFAOYSA-N -1 3 352.409 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(F)c1 ZINC000288298126 552128073 /nfs/dbraw/zinc/12/80/73/552128073.db2.gz GMWCYIRBOXQIEC-UHFFFAOYSA-N -1 3 355.347 2.079 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H](O)c1ccccc1 ZINC000288388886 552145392 /nfs/dbraw/zinc/14/53/92/552145392.db2.gz LLDHZEDDRLMHAE-WFASDCNBSA-N -1 3 350.396 2.304 20 5 FEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000291981615 552681130 /nfs/dbraw/zinc/68/11/30/552681130.db2.gz RZCBIAZCJVTXIB-UHFFFAOYSA-N -1 3 357.363 2.380 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000295712310 553048706 /nfs/dbraw/zinc/04/87/06/553048706.db2.gz KXYQDMOXJLMMRT-JTQLQIEISA-N -1 3 350.824 2.386 20 5 FEBDHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295961865 553081589 /nfs/dbraw/zinc/08/15/89/553081589.db2.gz JXSGXLXUCCFJQC-UHFFFAOYSA-N -1 3 358.807 2.191 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000297017922 553242474 /nfs/dbraw/zinc/24/24/74/553242474.db2.gz KJJHFIAUMMTQGL-UHFFFAOYSA-N -1 3 366.342 2.095 20 5 FEBDHM C[N-]S(=O)(=O)c1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000301805835 553681156 /nfs/dbraw/zinc/68/11/56/553681156.db2.gz VWKDWJHVTLMBDO-UHFFFAOYSA-N -1 3 363.367 2.455 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000326127049 553779247 /nfs/dbraw/zinc/77/92/47/553779247.db2.gz HBKPLFDGEKRZGK-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM CCC(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000326519941 553780989 /nfs/dbraw/zinc/78/09/89/553780989.db2.gz DLVTVXVTNXBEDR-AWEZNQCLSA-N -1 3 361.439 2.379 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000328265357 553793538 /nfs/dbraw/zinc/79/35/38/553793538.db2.gz FURXKAIGWAFGFD-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)n1 ZINC000506711565 561706646 /nfs/dbraw/zinc/70/66/46/561706646.db2.gz RGMNEWIVZYCLPJ-UHFFFAOYSA-N -1 3 354.326 2.295 20 5 FEBDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000507849291 561743123 /nfs/dbraw/zinc/74/31/23/561743123.db2.gz ROUREPHQJCCIEL-JTQLQIEISA-N -1 3 358.354 2.476 20 5 FEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1[N+](=O)[O-] ZINC000508071131 561750275 /nfs/dbraw/zinc/75/02/75/561750275.db2.gz XROKKFFDDPSVAW-LBPRGKRZSA-N -1 3 368.333 2.211 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000330952993 554193577 /nfs/dbraw/zinc/19/35/77/554193577.db2.gz LCNUEMGQSWWUJD-GRYCIOLGSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000509573626 561805755 /nfs/dbraw/zinc/80/57/55/561805755.db2.gz SJTQOJYJTHNKBV-UHFFFAOYSA-N -1 3 353.375 2.348 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000511300628 561864512 /nfs/dbraw/zinc/86/45/12/561864512.db2.gz MLOIQWIAUDAQBO-CQSZACIVSA-N -1 3 350.400 2.066 20 5 FEBDHM Cn1cc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000363894669 555208625 /nfs/dbraw/zinc/20/86/25/555208625.db2.gz HHUWVYOEYHSEAD-QGZVFWFLSA-N -1 3 372.406 2.396 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c(Cl)c1 ZINC000364020099 555234877 /nfs/dbraw/zinc/23/48/77/555234877.db2.gz OPLSRQQTDBELAR-UHFFFAOYSA-N -1 3 368.802 2.274 20 5 FEBDHM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C2 ZINC000365591788 555617279 /nfs/dbraw/zinc/61/72/79/555617279.db2.gz FKNVTHRQRDOMGT-CYBMUJFWSA-N -1 3 364.427 2.010 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365979977 555717010 /nfs/dbraw/zinc/71/70/10/555717010.db2.gz GGNZVEIDVOSKGD-UHFFFAOYSA-N -1 3 372.772 2.421 20 5 FEBDHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000368313727 556275662 /nfs/dbraw/zinc/27/56/62/556275662.db2.gz AIUIMLPRUUIXNP-UHFFFAOYSA-N -1 3 366.381 3.007 20 5 FEBDHM COc1cc(CN[C@H](C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000516872904 562062049 /nfs/dbraw/zinc/06/20/49/562062049.db2.gz TTYNFJNRAFPNFE-RKDXNWHRSA-N -1 3 362.329 2.446 20 5 FEBDHM COc1ccc(C(=O)[N-]c2nnc(-c3nccn3C)s2)cc1[N+](=O)[O-] ZINC000371077980 557068342 /nfs/dbraw/zinc/06/83/42/557068342.db2.gz UNMORRDAEIMIJV-UHFFFAOYSA-N -1 3 360.355 2.108 20 5 FEBDHM Cn1cc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000371755525 557284586 /nfs/dbraw/zinc/28/45/86/557284586.db2.gz YNZGOKUPSKZFJZ-QGZVFWFLSA-N -1 3 372.406 2.396 20 5 FEBDHM COC(=O)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc21 ZINC000371786641 557292994 /nfs/dbraw/zinc/29/29/94/557292994.db2.gz MNINBKWTHZOZBH-SNVBAGLBSA-N -1 3 357.322 2.003 20 5 FEBDHM CCN1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000519614445 562137120 /nfs/dbraw/zinc/13/71/20/562137120.db2.gz YHWQDJPXHXZAOP-ZDUSSCGKSA-N -1 3 364.446 2.287 20 5 FEBDHM Cc1ccccc1CN1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373095212 557627879 /nfs/dbraw/zinc/62/78/79/557627879.db2.gz OTUNRJVJHPZOKQ-UHFFFAOYSA-N -1 3 370.409 2.352 20 5 FEBDHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC000375088564 557976101 /nfs/dbraw/zinc/97/61/01/557976101.db2.gz CLIKOBOKUHQAPZ-CYBMUJFWSA-N -1 3 359.386 2.331 20 5 FEBDHM Cc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375089698 557976193 /nfs/dbraw/zinc/97/61/93/557976193.db2.gz KDNLHHWPWCUVBH-UHFFFAOYSA-N -1 3 374.397 2.333 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)cc1C ZINC000375114647 557980040 /nfs/dbraw/zinc/98/00/40/557980040.db2.gz RHFSZPIKLUGAHH-UHFFFAOYSA-N -1 3 364.427 2.223 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)C ZINC000385396369 558606299 /nfs/dbraw/zinc/60/62/99/558606299.db2.gz USYCBIMPUBCJAW-ZWNOBZJWSA-N -1 3 356.400 2.094 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000525187306 562242289 /nfs/dbraw/zinc/24/22/89/562242289.db2.gz JTGQQNMAVSILRH-GFCCVEGCSA-N -1 3 352.416 2.375 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(OC)c(OC)c1 ZINC000525587981 562250497 /nfs/dbraw/zinc/25/04/97/562250497.db2.gz VUUWIQSGLRDWOQ-UHFFFAOYSA-N -1 3 350.283 2.244 20 5 FEBDHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410144 559310966 /nfs/dbraw/zinc/31/09/66/559310966.db2.gz WQFISJSIPWMDMT-SNVBAGLBSA-N -1 3 370.349 2.299 20 5 FEBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416430163 559312350 /nfs/dbraw/zinc/31/23/50/559312350.db2.gz ARZJTBBRDLFPOL-VIFPVBQESA-N -1 3 356.322 2.053 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000416458852 559314398 /nfs/dbraw/zinc/31/43/98/559314398.db2.gz RAXRCDKTJWRIBF-VIFPVBQESA-N -1 3 356.429 2.411 20 5 FEBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000416522415 559319650 /nfs/dbraw/zinc/31/96/50/559319650.db2.gz FKYTWBVGHYVDEC-UHFFFAOYSA-N -1 3 364.395 2.226 20 5 FEBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000416532740 559320180 /nfs/dbraw/zinc/32/01/80/559320180.db2.gz IMJIINLIOYGEHA-WPRPVWTQSA-N -1 3 368.333 2.459 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)n1 ZINC000427615280 559758801 /nfs/dbraw/zinc/75/88/01/559758801.db2.gz MGRBQKKXHNXVDQ-UHFFFAOYSA-N -1 3 362.296 2.732 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000427991356 559767114 /nfs/dbraw/zinc/76/71/14/559767114.db2.gz JSJJEUCIRBYYIA-UHFFFAOYSA-N -1 3 367.365 2.139 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000433373971 559879006 /nfs/dbraw/zinc/87/90/06/559879006.db2.gz UAJAZIVYPKZJNY-UHFFFAOYSA-N -1 3 354.428 2.124 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000434770500 559909058 /nfs/dbraw/zinc/90/90/58/559909058.db2.gz UACUWGGLWFQQOM-UHFFFAOYSA-N -1 3 374.312 2.099 20 5 FEBDHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436736876 559950621 /nfs/dbraw/zinc/95/06/21/559950621.db2.gz PHIVJNDKPZQZMA-MRXNPFEDSA-N -1 3 359.382 2.342 20 5 FEBDHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436867589 559954847 /nfs/dbraw/zinc/95/48/47/559954847.db2.gz DAIMYKZQXUYQDB-UHFFFAOYSA-N -1 3 356.338 2.472 20 5 FEBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436917683 559956359 /nfs/dbraw/zinc/95/63/59/559956359.db2.gz XYYRPHLOUDWOPF-UHFFFAOYSA-N -1 3 365.455 2.392 20 5 FEBDHM Cc1cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000437002418 559959116 /nfs/dbraw/zinc/95/91/16/559959116.db2.gz 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Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000443967530 560097717 /nfs/dbraw/zinc/09/77/17/560097717.db2.gz MWCWGMIYWWKUED-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191886 560130564 /nfs/dbraw/zinc/13/05/64/560130564.db2.gz YCEOWBWCAAKWLQ-DOMZBBRYSA-N -1 3 356.382 2.261 20 5 FEBDHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445195005 560130629 /nfs/dbraw/zinc/13/06/29/560130629.db2.gz ZEXMMUYWWYVCAM-SNVBAGLBSA-N -1 3 358.354 2.476 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ncccc2F)cc1C ZINC000446937740 560153784 /nfs/dbraw/zinc/15/37/84/560153784.db2.gz SOXVLLAOEMERPF-UHFFFAOYSA-N -1 3 369.374 2.103 20 5 FEBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029195 560155366 /nfs/dbraw/zinc/15/53/66/560155366.db2.gz KTEWPYKOEXWJGH-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000447712555 560167890 /nfs/dbraw/zinc/16/78/90/560167890.db2.gz CZQVZIBDXXRJRZ-UHFFFAOYSA-N -1 3 352.310 2.481 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c([N+](=O)[O-])c1 ZINC000451083659 560286181 /nfs/dbraw/zinc/28/61/81/560286181.db2.gz IPAZBGVREZNQOZ-UHFFFAOYSA-N -1 3 368.411 2.383 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000451819811 560330742 /nfs/dbraw/zinc/33/07/42/560330742.db2.gz BNDBJVQORUBYFZ-JSGCOSHPSA-N -1 3 372.443 2.333 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451855914 560332669 /nfs/dbraw/zinc/33/26/69/560332669.db2.gz PAAGIFYAQMPRJT-SMDDNHRTSA-N -1 3 360.457 2.040 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000452052012 560348221 /nfs/dbraw/zinc/34/82/21/560348221.db2.gz YRPOSEZSHATNAY-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463866408 560827337 /nfs/dbraw/zinc/82/73/37/560827337.db2.gz QSMDKBUQZQSSGH-HUUCEWRRSA-N -1 3 372.443 2.474 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)cc1 ZINC000466518859 560888593 /nfs/dbraw/zinc/88/85/93/560888593.db2.gz NLTKMPUSOYXFLF-CQSZACIVSA-N -1 3 352.343 2.287 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000466728050 560893877 /nfs/dbraw/zinc/89/38/77/560893877.db2.gz QWSXZQLULLEYPM-ZDUSSCGKSA-N -1 3 370.452 2.155 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467059040 560902619 /nfs/dbraw/zinc/90/26/19/560902619.db2.gz SCPWYHMSWAHUTJ-ZDUSSCGKSA-N -1 3 370.452 2.094 20 5 FEBDHM Cc1nc(C)c(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000468995284 560944301 /nfs/dbraw/zinc/94/43/01/560944301.db2.gz NAYCVDPNOGCNNS-UHFFFAOYSA-N -1 3 350.762 2.220 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000469069673 560946461 /nfs/dbraw/zinc/94/64/61/560946461.db2.gz UQYLYUUQUMHQRE-NEPJUHHUSA-N -1 3 370.427 2.486 20 5 FEBDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469163415 560948814 /nfs/dbraw/zinc/94/88/14/560948814.db2.gz VJAIWOXXJOSORG-GXFFZTMASA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000469192950 560949563 /nfs/dbraw/zinc/94/95/63/560949563.db2.gz NHBYPVKYHVVQHL-NSHDSACASA-N -1 3 358.416 2.484 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)C1 ZINC000469217289 560950146 /nfs/dbraw/zinc/95/01/46/560950146.db2.gz GHWTWCPACSOOFE-MNOVXSKESA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000469248781 560950871 /nfs/dbraw/zinc/95/08/71/560950871.db2.gz KOMIOWDUAMCKRN-AWEZNQCLSA-N -1 3 368.411 2.383 20 5 FEBDHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619396 560986085 /nfs/dbraw/zinc/98/60/85/560986085.db2.gz DTNLRBHDXXEIBH-UPJWGTAASA-N -1 3 373.450 2.379 20 5 FEBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000473643445 561054959 /nfs/dbraw/zinc/05/49/59/561054959.db2.gz OFUAVADNQIPTEL-UHFFFAOYSA-N -1 3 351.746 2.434 20 5 FEBDHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476949300 561132691 /nfs/dbraw/zinc/13/26/91/561132691.db2.gz IDFZCZBVCDIYTJ-RYUDHWBXSA-N -1 3 370.427 2.471 20 5 FEBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000533553371 562512976 /nfs/dbraw/zinc/51/29/76/562512976.db2.gz BZJBCWGUMQGHMN-HNNXBMFYSA-N -1 3 350.396 2.224 20 5 FEBDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541311266 562608625 /nfs/dbraw/zinc/60/86/25/562608625.db2.gz RMKGUPQCLWBVBM-LBPRGKRZSA-N -1 3 354.384 2.114 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000545934351 562631483 /nfs/dbraw/zinc/63/14/83/562631483.db2.gz DMLAHLPJIYTIOD-ZDUSSCGKSA-N -1 3 367.452 2.430 20 5 FEBDHM O=c1cc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)nc[n-]1 ZINC000568510185 568051732 /nfs/dbraw/zinc/05/17/32/568051732.db2.gz FLNXCUCPDSYDTD-UHFFFAOYSA-N -1 3 354.326 2.408 20 5 FEBDHM CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568627371 568100590 /nfs/dbraw/zinc/10/05/90/568100590.db2.gz ZHWGGEMXWJIOOD-FMGDLQRFSA-N -1 3 369.805 2.425 20 5 FEBDHM CCOc1cc(N2CCN(c3ccncc3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000570931559 568726742 /nfs/dbraw/zinc/72/67/42/568726742.db2.gz VQUBTRGGQXZFCF-UHFFFAOYSA-N -1 3 372.381 2.413 20 5 FEBDHM CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736688208 599014486 /nfs/dbraw/zinc/01/44/86/599014486.db2.gz BWVRDOACWIIBJU-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736688208 599014488 /nfs/dbraw/zinc/01/44/88/599014488.db2.gz BWVRDOACWIIBJU-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccccc1[N+](=O)[O-] ZINC000737801047 599231860 /nfs/dbraw/zinc/23/18/60/599231860.db2.gz LMBPJSLHXIOENB-MDZDMXLPSA-N -1 3 364.365 2.147 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccccc1[N+](=O)[O-] ZINC000737801047 599231862 /nfs/dbraw/zinc/23/18/62/599231862.db2.gz LMBPJSLHXIOENB-MDZDMXLPSA-N -1 3 364.365 2.147 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737500849 598331728 /nfs/dbraw/zinc/33/17/28/598331728.db2.gz QSHDRSISQNKAKW-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737500849 598331730 /nfs/dbraw/zinc/33/17/30/598331730.db2.gz QSHDRSISQNKAKW-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000738357088 598388689 /nfs/dbraw/zinc/38/86/89/598388689.db2.gz AXJGTXSOOYYTMR-CYBMUJFWSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000738357088 598388691 /nfs/dbraw/zinc/38/86/91/598388691.db2.gz AXJGTXSOOYYTMR-CYBMUJFWSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738368244 598458082 /nfs/dbraw/zinc/45/80/82/598458082.db2.gz AZGVXMJUMAFLKE-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738368244 598458084 /nfs/dbraw/zinc/45/80/84/598458084.db2.gz AZGVXMJUMAFLKE-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCc3ccccc3N2)c(-c2nnn[n-]2)c1 ZINC000738375014 598503145 /nfs/dbraw/zinc/50/31/45/598503145.db2.gz XUPPYLDQNCPEND-LLVKDONJSA-N -1 3 352.358 2.009 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCc3ccccc3N2)c(-c2nn[n-]n2)c1 ZINC000738375014 598503147 /nfs/dbraw/zinc/50/31/47/598503147.db2.gz XUPPYLDQNCPEND-LLVKDONJSA-N -1 3 352.358 2.009 20 5 FEBDHM Cc1sc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826349238 607362159 /nfs/dbraw/zinc/36/21/59/607362159.db2.gz AMTSLPIGRHUTQT-UHFFFAOYSA-N -1 3 373.350 2.185 20 5 FEBDHM Cc1sc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826349238 607362160 /nfs/dbraw/zinc/36/21/60/607362160.db2.gz AMTSLPIGRHUTQT-UHFFFAOYSA-N -1 3 373.350 2.185 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334038 599504170 /nfs/dbraw/zinc/50/41/70/599504170.db2.gz JJTOHOJGRYJESH-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334038 599504173 /nfs/dbraw/zinc/50/41/73/599504173.db2.gz JJTOHOJGRYJESH-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM O=[N+]([O-])c1cnc(Oc2cccc(-n3ccnc3)c2)c(-c2nnn[n-]2)c1 ZINC000738373478 599527611 /nfs/dbraw/zinc/52/76/11/599527611.db2.gz DNQCSDLDKJRWNH-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1-c1nnn[n-]1 ZINC000820169642 607397010 /nfs/dbraw/zinc/39/70/10/607397010.db2.gz LRKHWGCZTUFDOT-UHFFFAOYSA-N -1 3 358.314 2.407 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1-c1nn[n-]n1 ZINC000820169642 607397012 /nfs/dbraw/zinc/39/70/12/607397012.db2.gz LRKHWGCZTUFDOT-UHFFFAOYSA-N -1 3 358.314 2.407 20 5 FEBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826282376 607522968 /nfs/dbraw/zinc/52/29/68/607522968.db2.gz LRKKTNQONHFQRP-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826282376 607522970 /nfs/dbraw/zinc/52/29/70/607522970.db2.gz LRKKTNQONHFQRP-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739100586 602432161 /nfs/dbraw/zinc/43/21/61/602432161.db2.gz OJRIYISYDQGBTJ-SJKOYZFVSA-N -1 3 364.402 2.339 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000558716174 674512758 /nfs/dbraw/zinc/51/27/58/674512758.db2.gz HXRRDISSJBNDGH-CYBMUJFWSA-N -1 3 358.416 2.135 20 5 FEBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810050 674511173 /nfs/dbraw/zinc/51/11/73/674511173.db2.gz IZIUYCKNTABFPH-UHFFFAOYSA-N -1 3 365.198 2.412 20 5 FEBDHM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000738769775 603079247 /nfs/dbraw/zinc/07/92/47/603079247.db2.gz GEQXBBCTTVALGY-OAHLLOKOSA-N -1 3 372.809 2.459 20 5 FEBDHM Cn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C(F)(F)F)n1 ZINC000826361679 607680692 /nfs/dbraw/zinc/68/06/92/607680692.db2.gz IMXIXXRIPREDIE-UHFFFAOYSA-N -1 3 368.279 2.139 20 5 FEBDHM Cn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C(F)(F)F)n1 ZINC000826361679 607680694 /nfs/dbraw/zinc/68/06/94/607680694.db2.gz IMXIXXRIPREDIE-UHFFFAOYSA-N -1 3 368.279 2.139 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3ncccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000826499391 607730686 /nfs/dbraw/zinc/73/06/86/607730686.db2.gz HCMYKWBRWCCENZ-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3ncccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000826499391 607730689 /nfs/dbraw/zinc/73/06/89/607730689.db2.gz HCMYKWBRWCCENZ-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000821690256 606036310 /nfs/dbraw/zinc/03/63/10/606036310.db2.gz BWBCTHNVWMYDLZ-UHFFFAOYSA-N -1 3 369.385 2.131 20 5 FEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000821690256 606036315 /nfs/dbraw/zinc/03/63/15/606036315.db2.gz BWBCTHNVWMYDLZ-UHFFFAOYSA-N -1 3 369.385 2.131 20 5 FEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823410556 606567724 /nfs/dbraw/zinc/56/77/24/606567724.db2.gz YMQLJVCZCSIZMB-UHFFFAOYSA-N -1 3 361.339 2.072 20 5 FEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823410556 606567725 /nfs/dbraw/zinc/56/77/25/606567725.db2.gz YMQLJVCZCSIZMB-UHFFFAOYSA-N -1 3 361.339 2.072 20 5 FEBDHM Cc1nc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822449858 606608473 /nfs/dbraw/zinc/60/84/73/606608473.db2.gz RZLNYYOSRRNSEM-UHFFFAOYSA-N -1 3 353.342 2.050 20 5 FEBDHM Cc1nc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449858 606608475 /nfs/dbraw/zinc/60/84/75/606608475.db2.gz RZLNYYOSRRNSEM-UHFFFAOYSA-N -1 3 353.342 2.050 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822271149 606638736 /nfs/dbraw/zinc/63/87/36/606638736.db2.gz OERHHTZPBBOIDD-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822271149 606638737 /nfs/dbraw/zinc/63/87/37/606638737.db2.gz OERHHTZPBBOIDD-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821123233 606806952 /nfs/dbraw/zinc/80/69/52/606806952.db2.gz NKUMMOVHHWYSCK-UHFFFAOYSA-N -1 3 368.357 2.244 20 5 FEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820728106 607047802 /nfs/dbraw/zinc/04/78/02/607047802.db2.gz STHPEBBYWGRSHO-IAQYHMDHSA-N -1 3 354.374 2.059 20 5 FEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820728106 607047805 /nfs/dbraw/zinc/04/78/05/607047805.db2.gz STHPEBBYWGRSHO-IAQYHMDHSA-N -1 3 354.374 2.059 20 5 FEBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826470715 607834555 /nfs/dbraw/zinc/83/45/55/607834555.db2.gz ZTSZRQRMOKOEKX-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826470715 607834556 /nfs/dbraw/zinc/83/45/56/607834556.db2.gz ZTSZRQRMOKOEKX-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM O=[N+]([O-])c1sccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500770 608053833 /nfs/dbraw/zinc/05/38/33/608053833.db2.gz LMQCNMICCXUBPU-CYBMUJFWSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1sccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500770 608053834 /nfs/dbraw/zinc/05/38/34/608053834.db2.gz LMQCNMICCXUBPU-CYBMUJFWSA-N -1 3 358.383 2.414 20 5 FEBDHM CCO[C@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825576078 608161185 /nfs/dbraw/zinc/16/11/85/608161185.db2.gz BUFLOMRJLJYTHU-SNVBAGLBSA-N -1 3 354.754 2.182 20 5 FEBDHM CCO[C@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825576078 608161188 /nfs/dbraw/zinc/16/11/88/608161188.db2.gz BUFLOMRJLJYTHU-SNVBAGLBSA-N -1 3 354.754 2.182 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cncc(F)c1 ZINC000826450886 608162576 /nfs/dbraw/zinc/16/25/76/608162576.db2.gz HUPPUSVYIBLXRV-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000826499809 608606914 /nfs/dbraw/zinc/60/69/14/608606914.db2.gz YMCKWCJFXWZUQR-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000826499809 608606916 /nfs/dbraw/zinc/60/69/16/608606916.db2.gz YMCKWCJFXWZUQR-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM CC(C)[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824224761 609320639 /nfs/dbraw/zinc/32/06/39/609320639.db2.gz QQPWYIDBGTUDOJ-HNNXBMFYSA-N -1 3 369.385 2.184 20 5 FEBDHM CC(C)[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824224761 609320641 /nfs/dbraw/zinc/32/06/41/609320641.db2.gz QQPWYIDBGTUDOJ-HNNXBMFYSA-N -1 3 369.385 2.184 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000564906352 675074158 /nfs/dbraw/zinc/07/41/58/675074158.db2.gz KCAVMCUYVXWWAO-HTQZYQBOSA-N -1 3 354.306 2.069 20 5 FEBDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000574083412 671200198 /nfs/dbraw/zinc/20/01/98/671200198.db2.gz BWFRLZVTXFCPMC-GFCCVEGCSA-N -1 3 366.370 2.324 20 5 FEBDHM NC(=O)c1ccc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000609094041 675910432 /nfs/dbraw/zinc/91/04/32/675910432.db2.gz OEUSBVKXYAOEAS-UHFFFAOYSA-N -1 3 363.351 2.169 20 5 FEBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000153948029 672207451 /nfs/dbraw/zinc/20/74/51/672207451.db2.gz XCTZTEKKOAZBCU-HNNXBMFYSA-N -1 3 372.349 2.059 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)O ZINC000611020789 676011717 /nfs/dbraw/zinc/01/17/17/676011717.db2.gz PDWSUYRDNVIAIA-ZETCQYMHSA-N -1 3 356.322 2.051 20 5 FEBDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000611021734 676011725 /nfs/dbraw/zinc/01/17/25/676011725.db2.gz DAHKBUUBFYQREF-NHYWBVRUSA-N -1 3 368.386 2.177 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588989 672592757 /nfs/dbraw/zinc/59/27/57/672592757.db2.gz FWMQYHAFGWWQMX-CYBMUJFWSA-N -1 3 371.390 2.217 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c(F)cc1[N+](=O)[O-] ZINC000590588683 672592801 /nfs/dbraw/zinc/59/28/01/672592801.db2.gz MWSKRHUTDLTUOQ-GFCCVEGCSA-N -1 3 368.390 2.132 20 5 FEBDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542709 672938371 /nfs/dbraw/zinc/93/83/71/672938371.db2.gz HGKGHHDVKSMDPI-UHFFFAOYSA-N -1 3 365.411 2.298 20 5 FEBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000593562504 672944187 /nfs/dbraw/zinc/94/41/87/672944187.db2.gz MSECPIVNCKXEMZ-UHFFFAOYSA-N -1 3 357.432 2.255 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)nc1 ZINC000593564663 672944620 /nfs/dbraw/zinc/94/46/20/672944620.db2.gz YEQVOXHNWCDTQS-GFCCVEGCSA-N -1 3 355.416 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)nc1 ZINC000593577522 672949078 /nfs/dbraw/zinc/94/90/78/672949078.db2.gz KOOKATVSXOTVRX-UHFFFAOYSA-N -1 3 363.395 2.016 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000594577690 673101427 /nfs/dbraw/zinc/10/14/27/673101427.db2.gz AKOQSMNKXYDNNE-UHFFFAOYSA-N -1 3 366.342 2.094 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000594827558 673154007 /nfs/dbraw/zinc/15/40/07/673154007.db2.gz PVMMMJUXDFPOQH-MRVPVSSYSA-N -1 3 368.333 2.053 20 5 FEBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000594829540 673154745 /nfs/dbraw/zinc/15/47/45/673154745.db2.gz ZMXFESHWUYRJMI-CZMCAQCFSA-N -1 3 368.333 2.459 20 5 FEBDHM COC(=O)c1occc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594859185 673167338 /nfs/dbraw/zinc/16/73/38/673167338.db2.gz BTSKNJWTNOJQNU-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM O=c1[n-]ccc(NC[C@@H](c2cccs2)N2CCOCC2)c1[N+](=O)[O-] ZINC000596057016 673354396 /nfs/dbraw/zinc/35/43/96/673354396.db2.gz FXLRBIOGVWOSQB-LBPRGKRZSA-N -1 3 350.400 2.242 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CN3CCCCCC3)cs2)n1 ZINC000537916205 673413873 /nfs/dbraw/zinc/41/38/73/673413873.db2.gz PNVBLMUIKFXQJH-UHFFFAOYSA-N -1 3 364.431 2.413 20 5 FEBDHM O=C(OCc1cc(=O)c([O-])co1)c1cc([N+](=O)[O-])ccc1Br ZINC000736811902 673540957 /nfs/dbraw/zinc/54/09/57/673540957.db2.gz UMGYGYRMMZHODE-UHFFFAOYSA-N -1 3 370.111 2.373 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598600263 673588159 /nfs/dbraw/zinc/58/81/59/673588159.db2.gz AFNKPZDQAARAJP-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546778520 673817947 /nfs/dbraw/zinc/81/79/47/673817947.db2.gz HTZZANFLXVFYKV-LBPRGKRZSA-N -1 3 356.425 2.118 20 5 FEBDHM CC[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000616461282 676251323 /nfs/dbraw/zinc/25/13/23/676251323.db2.gz LHYNZSDWKLAVBG-LBPRGKRZSA-N -1 3 368.333 2.461 20 5 FEBDHM CCc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cs1 ZINC000619482512 676379776 /nfs/dbraw/zinc/37/97/76/676379776.db2.gz LYKUBDTZRQGRRF-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM O=[N+]([O-])c1sccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000619651883 676389404 /nfs/dbraw/zinc/38/94/04/676389404.db2.gz UEVVARFNIVHFNT-UHFFFAOYSA-N -1 3 363.367 2.325 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1)C(F)F ZINC000830074411 677023786 /nfs/dbraw/zinc/02/37/86/677023786.db2.gz NXISBBPSKHDYOW-QMMMGPOBSA-N -1 3 367.330 2.095 20 5 FEBDHM C[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000763407262 680782224 /nfs/dbraw/zinc/78/22/24/680782224.db2.gz YZMOCWOCKWQTID-JTQLQIEISA-N -1 3 362.363 2.260 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)c(C)n2)cc1[N+](=O)[O-] ZINC000767843596 680929383 /nfs/dbraw/zinc/92/93/83/680929383.db2.gz HMZLXFYDOLSVFY-SECBINFHSA-N -1 3 371.440 2.200 20 5 FEBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)no1 ZINC000769901740 680999688 /nfs/dbraw/zinc/99/96/88/680999688.db2.gz TZLMINQRYFWAEF-UHFFFAOYSA-N -1 3 374.806 2.462 20 5 FEBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000777934923 681545528 /nfs/dbraw/zinc/54/55/28/681545528.db2.gz ADJTWBARSSGSNC-UHFFFAOYSA-N -1 3 371.321 2.081 20 5 FEBDHM CN(C)c1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc(=O)[n-]1 ZINC000786492285 682380309 /nfs/dbraw/zinc/38/03/09/682380309.db2.gz DZOOUTOMWGWWIU-UHFFFAOYSA-N -1 3 352.734 2.167 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC000788506315 682534461 /nfs/dbraw/zinc/53/44/61/682534461.db2.gz UWJNERMTAKJWRZ-UHFFFAOYSA-N -1 3 370.774 2.489 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(F)(F)F ZINC000790843010 682706485 /nfs/dbraw/zinc/70/64/85/682706485.db2.gz MHGYPZNYWISHQD-SECBINFHSA-N -1 3 356.322 2.067 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000859348194 683090101 /nfs/dbraw/zinc/09/01/01/683090101.db2.gz NHGJOSHZGCHDOX-GFCCVEGCSA-N -1 3 357.407 2.029 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000921320231 683421483 /nfs/dbraw/zinc/42/14/83/683421483.db2.gz FTANZOSOTJIHEY-ZBFHGGJFSA-N -1 3 366.370 2.486 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CC2SCCS2)c(F)cc1[N+](=O)[O-] ZINC000867530696 684305903 /nfs/dbraw/zinc/30/59/03/684305903.db2.gz AJIYSMHRSIWUSN-UHFFFAOYSA-N -1 3 352.434 2.127 20 5 FEBDHM O=[N+]([O-])c1cc(CSc2nc3nncc-3c(O)[n-]2)c2c(c1)COCO2 ZINC000030587868 539886568 /nfs/dbraw/zinc/88/65/68/539886568.db2.gz OFEQQQANOBIXEZ-UHFFFAOYSA-N -1 3 361.339 2.126 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000046036744 540238665 /nfs/dbraw/zinc/23/86/65/540238665.db2.gz NCUOJUUAZRRDOM-OCCSQVGLSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000046408990 540255604 /nfs/dbraw/zinc/25/56/04/540255604.db2.gz ZWZZYCUOIFJMTA-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1sc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1[N+](=O)[O-] ZINC000048166900 540348731 /nfs/dbraw/zinc/34/87/31/540348731.db2.gz REGLLDFUOVITBF-INIZCTEOSA-N -1 3 374.378 2.272 20 5 FEBDHM CC(C)c1nnc([N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1 ZINC000052618453 540478560 /nfs/dbraw/zinc/47/85/60/540478560.db2.gz ITYDKESWSWWWIQ-UHFFFAOYSA-N -1 3 359.371 2.403 20 5 FEBDHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000056954350 540757404 /nfs/dbraw/zinc/75/74/04/540757404.db2.gz NWUMANDQEDLPDH-LBPRGKRZSA-N -1 3 356.342 2.099 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000058313653 540839198 /nfs/dbraw/zinc/83/91/98/540839198.db2.gz JCQWLLVGEHUOKH-UHFFFAOYSA-N -1 3 352.368 2.091 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000058918224 540860136 /nfs/dbraw/zinc/86/01/36/540860136.db2.gz MZAZJMYDXSHEST-UHFFFAOYSA-N -1 3 350.352 2.228 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3ccccc3n2)cc1C ZINC000060497463 541114480 /nfs/dbraw/zinc/11/44/80/541114480.db2.gz HOIFKURQXRYMQQ-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000065658726 541252614 /nfs/dbraw/zinc/25/26/14/541252614.db2.gz NDNJIBMFNVBXBW-UHFFFAOYSA-N -1 3 369.355 2.210 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F ZINC000065793624 541261950 /nfs/dbraw/zinc/26/19/50/541261950.db2.gz LLKDQUIWGAJBDD-VIFPVBQESA-N -1 3 356.322 2.149 20 5 FEBDHM Cc1nc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000068460621 541595013 /nfs/dbraw/zinc/59/50/13/541595013.db2.gz YNRQSMFVHMDWJU-OAHLLOKOSA-N -1 3 373.394 2.089 20 5 FEBDHM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000068460623 541595415 /nfs/dbraw/zinc/59/54/15/541595415.db2.gz YNRQSMFVHMDWJU-HNNXBMFYSA-N -1 3 373.394 2.089 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000109816949 543340532 /nfs/dbraw/zinc/34/05/32/543340532.db2.gz NRAISCNKCKSGBC-ZDUSSCGKSA-N -1 3 371.459 2.002 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)Cc1ccccc1 ZINC000111348314 543398037 /nfs/dbraw/zinc/39/80/37/543398037.db2.gz UXXBMKDALNRIQU-GFCCVEGCSA-N -1 3 369.468 2.455 20 5 FEBDHM O=C(Nc1nc(CN2CCCCC2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000122966118 543734257 /nfs/dbraw/zinc/73/42/57/543734257.db2.gz BBKZJLVNRPVDHT-UHFFFAOYSA-N -1 3 363.399 2.390 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)c1C ZINC000124744685 543840616 /nfs/dbraw/zinc/84/06/16/543840616.db2.gz PYCWVEAQDLVJOV-HOCLYGCPSA-N -1 3 356.444 2.431 20 5 FEBDHM C[C@H](CCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000126211091 543924597 /nfs/dbraw/zinc/92/45/97/543924597.db2.gz CIMUEDQNVVHWPC-MRVPVSSYSA-N -1 3 356.322 2.053 20 5 FEBDHM Cc1c(Br)cc(C(=O)[N-]N2CCCCC2=O)cc1[N+](=O)[O-] ZINC000126252798 543925945 /nfs/dbraw/zinc/92/59/45/543925945.db2.gz PZLIHXNJHWJALZ-UHFFFAOYSA-N -1 3 356.176 2.323 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000129238089 544099791 /nfs/dbraw/zinc/09/97/91/544099791.db2.gz PPCPFHUYYROFCW-XJKSGUPXSA-N -1 3 364.423 2.174 20 5 FEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000152826280 544700063 /nfs/dbraw/zinc/70/00/63/544700063.db2.gz RYXZIHYNZFGYNF-UHFFFAOYSA-N -1 3 365.198 2.077 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000185195007 327905036 /nfs/dbraw/zinc/90/50/36/327905036.db2.gz MPEWJNCPMTVAIP-UXIGCNINSA-N -1 3 358.391 2.278 20 5 FEBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188142881 328069150 /nfs/dbraw/zinc/06/91/50/328069150.db2.gz HQPMBAVYTQCJOB-OAHLLOKOSA-N -1 3 356.382 2.262 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000188343401 328081967 /nfs/dbraw/zinc/08/19/67/328081967.db2.gz RLKICSPBJUDPSM-SCZZXKLOSA-N -1 3 368.333 2.053 20 5 FEBDHM C[C@](O)(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000188851812 328114281 /nfs/dbraw/zinc/11/42/81/328114281.db2.gz NXMDSBFLKKVSRU-INIZCTEOSA-N -1 3 350.396 2.171 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000190005010 328181989 /nfs/dbraw/zinc/18/19/89/328181989.db2.gz DDQLFVZMEODLCL-CQDKDKBSSA-N -1 3 354.428 2.303 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000017333082 324388490 /nfs/dbraw/zinc/38/84/90/324388490.db2.gz HBTQQKATZYRKGK-UHFFFAOYSA-N -1 3 357.338 2.263 20 5 FEBDHM CC(C)C[C@H](C)CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116651515 326028733 /nfs/dbraw/zinc/02/87/33/326028733.db2.gz YCCVFIVXDLBNDA-ZDUSSCGKSA-N -1 3 371.459 2.062 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)c1C ZINC000120684618 326278629 /nfs/dbraw/zinc/27/86/29/326278629.db2.gz RVPFOXGIOSWISK-JOCHJYFZSA-N -1 3 362.473 2.037 20 5 FEBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000120844934 326293149 /nfs/dbraw/zinc/29/31/49/326293149.db2.gz GXRDSCZNXZJTBV-DTWKUNHWSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(C3CC3)C2)c1C ZINC000121454715 326339714 /nfs/dbraw/zinc/33/97/14/326339714.db2.gz BRTLVZGQNFSXRG-WCQYABFASA-N -1 3 353.444 2.115 20 5 FEBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000125334496 326469870 /nfs/dbraw/zinc/46/98/70/326469870.db2.gz YJNQOXRAOIQYKD-ZDUSSCGKSA-N -1 3 356.425 2.118 20 5 FEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000152832777 326717384 /nfs/dbraw/zinc/71/73/84/326717384.db2.gz VAKNSCFGJQZBRF-UHFFFAOYSA-N -1 3 365.198 2.077 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000170735285 327096008 /nfs/dbraw/zinc/09/60/08/327096008.db2.gz QVXNNHBSSUHZHC-CQSZACIVSA-N -1 3 354.359 2.400 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCN(C2CC2)C1 ZINC000173023881 327231024 /nfs/dbraw/zinc/23/10/24/327231024.db2.gz YIWXOEILHMGCRU-JTQLQIEISA-N -1 3 359.835 2.011 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000176662351 327468567 /nfs/dbraw/zinc/46/85/67/327468567.db2.gz OKWIESLTHQYKTH-UHFFFAOYSA-N -1 3 373.862 2.462 20 5 FEBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275503355 330056387 /nfs/dbraw/zinc/05/63/87/330056387.db2.gz ZWNKVOFSISQTTE-MRVPVSSYSA-N -1 3 352.409 2.162 20 5 FEBDHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157896351 545796392 /nfs/dbraw/zinc/79/63/92/545796392.db2.gz UMKIXYXDSZWMFN-SSDOTTSWSA-N -1 3 369.262 2.387 20 5 FEBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164208245 546148467 /nfs/dbraw/zinc/14/84/67/546148467.db2.gz ZETUKVYFPMMHTC-UHFFFAOYSA-N -1 3 365.455 2.392 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C ZINC000479234666 561185594 /nfs/dbraw/zinc/18/55/94/561185594.db2.gz NDJATPIMUPLHEB-NSHDSACASA-N -1 3 358.416 2.302 20 5 FEBDHM Cc1ccc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1[N+](=O)[O-] ZINC000479254581 561186005 /nfs/dbraw/zinc/18/60/05/561186005.db2.gz DUEZLVLHPKYEOV-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000173735512 546285466 /nfs/dbraw/zinc/28/54/66/546285466.db2.gz WOLVERQOZXPSCB-LLVKDONJSA-N -1 3 354.359 2.480 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC[C@@H](C)C2)c1C ZINC000480949958 561221062 /nfs/dbraw/zinc/22/10/62/561221062.db2.gz HGBVLPFSVWDEDD-GFCCVEGCSA-N -1 3 355.460 2.222 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000481011561 561222854 /nfs/dbraw/zinc/22/28/54/561222854.db2.gz JCCHSJXSTZCSLI-UHFFFAOYSA-N -1 3 355.460 2.222 20 5 FEBDHM CCNC(=O)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000481558828 561236053 /nfs/dbraw/zinc/23/60/53/561236053.db2.gz RFLAOWBAWROJPF-UHFFFAOYSA-N -1 3 359.342 2.113 20 5 FEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482243795 561251109 /nfs/dbraw/zinc/25/11/09/561251109.db2.gz NADBDNZLTJSVNP-UHFFFAOYSA-N -1 3 361.305 2.140 20 5 FEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482243795 561251110 /nfs/dbraw/zinc/25/11/10/561251110.db2.gz NADBDNZLTJSVNP-UHFFFAOYSA-N -1 3 361.305 2.140 20 5 FEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482243795 561251111 /nfs/dbraw/zinc/25/11/11/561251111.db2.gz NADBDNZLTJSVNP-UHFFFAOYSA-N -1 3 361.305 2.140 20 5 FEBDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000180239579 547071614 /nfs/dbraw/zinc/07/16/14/547071614.db2.gz IELZWQFJNCJYBL-UHFFFAOYSA-N -1 3 371.440 2.398 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccnc1-n1cccn1 ZINC000180806952 547182760 /nfs/dbraw/zinc/18/27/60/547182760.db2.gz XNWACXFKLBQIFV-UHFFFAOYSA-N -1 3 359.367 2.117 20 5 FEBDHM COc1cc(CN[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000485377869 561317837 /nfs/dbraw/zinc/31/78/37/561317837.db2.gz BTMUTTGQLOBJJR-MRVPVSSYSA-N -1 3 366.292 2.497 20 5 FEBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000487100389 561363644 /nfs/dbraw/zinc/36/36/44/561363644.db2.gz XLHILUVBMCMNQU-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269448105 550197288 /nfs/dbraw/zinc/19/72/88/550197288.db2.gz BFQLCJHOUMZCIC-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000269715032 550219645 /nfs/dbraw/zinc/21/96/45/550219645.db2.gz AMDZFRLZAXMMHR-ZDUSSCGKSA-N -1 3 354.384 2.125 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[n-]c21 ZINC000494116297 561462811 /nfs/dbraw/zinc/46/28/11/561462811.db2.gz XVFGGBAKTHIFLQ-UHFFFAOYSA-N -1 3 372.341 2.357 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])nc21 ZINC000494116297 561462812 /nfs/dbraw/zinc/46/28/12/561462812.db2.gz XVFGGBAKTHIFLQ-UHFFFAOYSA-N -1 3 372.341 2.357 20 5 FEBDHM O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272528876 550456253 /nfs/dbraw/zinc/45/62/53/550456253.db2.gz MKMGEGGKYGWJAJ-UHFFFAOYSA-N -1 3 356.382 2.090 20 5 FEBDHM CC(C)c1n[nH]c(C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000273086956 550484652 /nfs/dbraw/zinc/48/46/52/550484652.db2.gz NEFBHWNQRBDXED-SECBINFHSA-N -1 3 371.394 2.016 20 5 FEBDHM COC(=O)c1cnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[n-]1 ZINC000274880504 550562043 /nfs/dbraw/zinc/56/20/43/550562043.db2.gz CRLFEOHEMFGQCV-UHFFFAOYSA-N -1 3 351.340 2.263 20 5 FEBDHM CC[C@H](C)CO[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000292352086 552718764 /nfs/dbraw/zinc/71/87/64/552718764.db2.gz XLYAKOOHFVBQNE-NSHDSACASA-N -1 3 351.359 2.377 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000295237179 552973769 /nfs/dbraw/zinc/97/37/69/552973769.db2.gz JBZHHIMLTVFOKH-INIZCTEOSA-N -1 3 364.423 2.272 20 5 FEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295275395 552980201 /nfs/dbraw/zinc/98/02/01/552980201.db2.gz FHWCCCHYCOIVCZ-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(C)(C)O)c1 ZINC000295532747 553021590 /nfs/dbraw/zinc/02/15/90/553021590.db2.gz QKXYSFOFIFTQFO-VIFPVBQESA-N -1 3 350.824 2.384 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2ncc(C3CCOCC3)s2)c1[N+](=O)[O-] ZINC000296075250 553100777 /nfs/dbraw/zinc/10/07/77/553100777.db2.gz LAYAJFLNGGPONZ-UHFFFAOYSA-N -1 3 351.388 2.483 20 5 FEBDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000296204788 553121763 /nfs/dbraw/zinc/12/17/63/553121763.db2.gz VKGPKYJBWUKSRM-UHFFFAOYSA-N -1 3 353.375 2.348 20 5 FEBDHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000502659006 561622927 /nfs/dbraw/zinc/62/29/27/561622927.db2.gz UJXZIDJGQIGEDE-NSHDSACASA-N -1 3 366.443 2.331 20 5 FEBDHM Cc1c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cccc1[N+](=O)[O-] ZINC000298757972 553468906 /nfs/dbraw/zinc/46/89/06/553468906.db2.gz OJKXVEOSJPQOHM-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(-n3ccnn3)c2)s1 ZINC000302070152 553702220 /nfs/dbraw/zinc/70/22/20/553702220.db2.gz GMPNHPZUWSWCOE-UHFFFAOYSA-N -1 3 365.396 2.384 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000326316375 553780069 /nfs/dbraw/zinc/78/00/69/553780069.db2.gz WOSUOAYPLSYWFF-SECBINFHSA-N -1 3 370.408 2.482 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000326807181 553783523 /nfs/dbraw/zinc/78/35/23/553783523.db2.gz DQHUOSVVYJKUMH-NEPJUHHUSA-N -1 3 370.427 2.486 20 5 FEBDHM O=C(CCS(=O)(=O)c1cccc([O-])c1)Nc1ccccc1[N+](=O)[O-] ZINC000507714966 561738601 /nfs/dbraw/zinc/73/86/01/561738601.db2.gz RAUONZJOOVLPSD-UHFFFAOYSA-N -1 3 350.352 2.103 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)c1C ZINC000508113244 561752256 /nfs/dbraw/zinc/75/22/56/561752256.db2.gz RFTMOLKDSKFERC-GFCCVEGCSA-N -1 3 368.333 2.211 20 5 FEBDHM Cc1cc(C)cc(-c2cc(=NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[nH][n-]2)c1 ZINC000608783660 554319148 /nfs/dbraw/zinc/31/91/48/554319148.db2.gz RJWYNZJIDAQLQY-UHFFFAOYSA-N -1 3 367.365 2.402 20 5 FEBDHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363981934 555226705 /nfs/dbraw/zinc/22/67/05/555226705.db2.gz DAUGYADVFMRLAU-INIZCTEOSA-N -1 3 363.414 2.191 20 5 FEBDHM Cn1c(=O)oc2c1cccc2NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000512686692 561912367 /nfs/dbraw/zinc/91/23/67/561912367.db2.gz WPRAHORJDVMKIV-UHFFFAOYSA-N -1 3 353.294 2.168 20 5 FEBDHM O=C(Nc1ccc(N2C[C@H]3CC[C@@H](C2)O3)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364937292 555443751 /nfs/dbraw/zinc/44/37/51/555443751.db2.gz QJHZUDDULKHUHR-GASCZTMLSA-N -1 3 370.365 2.315 20 5 FEBDHM CCc1noc(C)c1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513609624 561944500 /nfs/dbraw/zinc/94/45/00/561944500.db2.gz UZFYWTFCPHGPBF-UHFFFAOYSA-N -1 3 353.356 2.109 20 5 FEBDHM CCOc1ccc(C(=O)[N-]c2ncn(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000366641694 555897434 /nfs/dbraw/zinc/89/74/34/555897434.db2.gz MMIFUSFMPJNFOT-UHFFFAOYSA-N -1 3 354.326 2.222 20 5 FEBDHM Cn1cnc([N+](=O)[O-])c1-c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000516940787 562066396 /nfs/dbraw/zinc/06/63/96/562066396.db2.gz MSLNWEFZOJUWFB-UHFFFAOYSA-N -1 3 366.696 2.423 20 5 FEBDHM COc1ccc(CSCC(=O)Nc2nnc(SC)[n-]2)cc1[N+](=O)[O-] ZINC000520505243 562157727 /nfs/dbraw/zinc/15/77/27/562157727.db2.gz QYVDDJXRFJDEFS-UHFFFAOYSA-N -1 3 369.428 2.315 20 5 FEBDHM COc1ccc(CSCC(=O)Nc2nc(SC)n[n-]2)cc1[N+](=O)[O-] ZINC000520505243 562157728 /nfs/dbraw/zinc/15/77/28/562157728.db2.gz QYVDDJXRFJDEFS-UHFFFAOYSA-N -1 3 369.428 2.315 20 5 FEBDHM COc1ccc(CSCC(=O)Nc2n[n-]c(SC)n2)cc1[N+](=O)[O-] ZINC000520505243 562157729 /nfs/dbraw/zinc/15/77/29/562157729.db2.gz QYVDDJXRFJDEFS-UHFFFAOYSA-N -1 3 369.428 2.315 20 5 FEBDHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000374828456 557937132 /nfs/dbraw/zinc/93/71/32/557937132.db2.gz KTCZVARRJBWOKQ-UHFFFAOYSA-N -1 3 356.317 2.662 20 5 FEBDHM COc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)ccc1[N+](=O)[O-] ZINC000377205635 558288264 /nfs/dbraw/zinc/28/82/64/558288264.db2.gz BMHJBBCXGYNZEP-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000522883766 562205379 /nfs/dbraw/zinc/20/53/79/562205379.db2.gz XEUXQGLYZUMVNV-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM CN(CC1CC1)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000523123167 562208677 /nfs/dbraw/zinc/20/86/77/562208677.db2.gz SXWCGCKKNCXTQE-UHFFFAOYSA-N -1 3 351.331 2.195 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000416418222 559311539 /nfs/dbraw/zinc/31/15/39/559311539.db2.gz ZPKJNCVYIMGECR-MRVPVSSYSA-N -1 3 356.347 2.397 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1 ZINC000416444199 559313144 /nfs/dbraw/zinc/31/31/44/559313144.db2.gz IASBKWCFISBOMR-MGCOHNPYSA-N -1 3 368.333 2.195 20 5 FEBDHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416464876 559315125 /nfs/dbraw/zinc/31/51/25/559315125.db2.gz XVYRKBJLSLTGBQ-LDYMZIIASA-N -1 3 370.349 2.299 20 5 FEBDHM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416475393 559315958 /nfs/dbraw/zinc/31/59/58/559315958.db2.gz UIMZUGOBJPDVMP-WDEREUQCSA-N -1 3 368.333 2.051 20 5 FEBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416537334 559320368 /nfs/dbraw/zinc/32/03/68/559320368.db2.gz SLFFMQMGCRAMGH-WPRPVWTQSA-N -1 3 368.333 2.459 20 5 FEBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416537333 559320460 /nfs/dbraw/zinc/32/04/60/559320460.db2.gz SLFFMQMGCRAMGH-WCBMZHEXSA-N -1 3 368.333 2.459 20 5 FEBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416553914 559321467 /nfs/dbraw/zinc/32/14/67/559321467.db2.gz FKSZXMXARZXJAP-KOLCDFICSA-N -1 3 368.333 2.459 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C)CC=CCC1 ZINC000416560812 559321924 /nfs/dbraw/zinc/32/19/24/559321924.db2.gz RLQHAMNXVJWBNX-OAHLLOKOSA-N -1 3 354.384 2.159 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000427170026 559749586 /nfs/dbraw/zinc/74/95/86/559749586.db2.gz KLNXRWVJVOJSIU-UHFFFAOYSA-N -1 3 369.131 2.119 20 5 FEBDHM C/C=C\C[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000433880135 559889655 /nfs/dbraw/zinc/88/96/55/559889655.db2.gz ZLNSZAXLDSLFMN-VGVVRCBHSA-N -1 3 370.427 2.388 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436647452 559947556 /nfs/dbraw/zinc/94/75/56/559947556.db2.gz KVQHNPNZEQDREJ-OAHLLOKOSA-N -1 3 357.366 2.119 20 5 FEBDHM Cc1nn(C)c(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000436701671 559949355 /nfs/dbraw/zinc/94/93/55/559949355.db2.gz ZNDGDSQKYNHRKY-UHFFFAOYSA-N -1 3 359.386 2.059 20 5 FEBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443241794 560076012 /nfs/dbraw/zinc/07/60/12/560076012.db2.gz BAIADOGKGWYPTK-JTQLQIEISA-N -1 3 370.349 2.443 20 5 FEBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443298100 560078564 /nfs/dbraw/zinc/07/85/64/560078564.db2.gz SYFYVSSTDINOKY-ZANVPECISA-N -1 3 350.824 2.324 20 5 FEBDHM COc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000443561952 560087654 /nfs/dbraw/zinc/08/76/54/560087654.db2.gz BVFIBRCPOCOBLF-JTQLQIEISA-N -1 3 359.338 2.066 20 5 FEBDHM O=C(NCc1cn2ccsc2n1)NCc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000444856449 560122765 /nfs/dbraw/zinc/12/27/65/560122765.db2.gz UJRBKJOCVCEGNP-UHFFFAOYSA-N -1 3 371.382 2.180 20 5 FEBDHM Cn1[n-]c([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1=N ZINC000450917557 560278529 /nfs/dbraw/zinc/27/85/29/560278529.db2.gz YAXPDGZBLXVVHD-GFCCVEGCSA-N -1 3 370.335 2.492 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451855927 560332629 /nfs/dbraw/zinc/33/26/29/560332629.db2.gz PBNIXQKZPLSZMT-BBRMVZONSA-N -1 3 374.459 2.171 20 5 FEBDHM Cc1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cnn1[C@@H]1CCOC1 ZINC000456267479 560513730 /nfs/dbraw/zinc/51/37/30/560513730.db2.gz POTYFRULJXYFKT-LLVKDONJSA-N -1 3 356.342 2.190 20 5 FEBDHM COc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1[O-] ZINC000461398915 560769914 /nfs/dbraw/zinc/76/99/14/560769914.db2.gz NVMIIITZGRNGGL-UHFFFAOYSA-N -1 3 374.349 2.352 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000461797403 560784308 /nfs/dbraw/zinc/78/43/08/560784308.db2.gz RCRQVVVAJMYCQE-AWEZNQCLSA-N -1 3 356.444 2.370 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000466587741 560890741 /nfs/dbraw/zinc/89/07/41/560890741.db2.gz RKIPQWPHCJFDIA-HUUCEWRRSA-N -1 3 358.391 2.217 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000466720619 560893625 /nfs/dbraw/zinc/89/36/25/560893625.db2.gz RHGLWBBCBGMBLG-CYBMUJFWSA-N -1 3 370.452 2.155 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000467047944 560902355 /nfs/dbraw/zinc/90/23/55/560902355.db2.gz CXOGWHNYGHOYLE-UHFFFAOYSA-N -1 3 360.388 2.075 20 5 FEBDHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467064398 560902718 /nfs/dbraw/zinc/90/27/18/560902718.db2.gz MMEUMUVDRXPDKG-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000467082108 560903182 /nfs/dbraw/zinc/90/31/82/560903182.db2.gz ONMOUCTXDNEDMZ-ZDUSSCGKSA-N -1 3 370.452 2.237 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000467085974 560903367 /nfs/dbraw/zinc/90/33/67/560903367.db2.gz QXVUWZVWDPFZQA-ZDUSSCGKSA-N -1 3 370.452 2.409 20 5 FEBDHM CO[C@@H](CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000468927172 560942455 /nfs/dbraw/zinc/94/24/55/560942455.db2.gz KGOPRFVPZLEODU-JTQLQIEISA-N -1 3 356.322 2.149 20 5 FEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000472106875 561018216 /nfs/dbraw/zinc/01/82/16/561018216.db2.gz WPIWIBSIOFKRRE-UHFFFAOYSA-N -1 3 350.762 2.391 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473956481 561062176 /nfs/dbraw/zinc/06/21/76/561062176.db2.gz MLNHZNYVGSXLFU-QWRGUYRKSA-N -1 3 361.489 2.363 20 5 FEBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(F)ccc1[O-] ZINC000530919315 562428695 /nfs/dbraw/zinc/42/86/95/562428695.db2.gz RIIKITGOVRIEMJ-JTQLQIEISA-N -1 3 351.338 2.311 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000533916640 562521312 /nfs/dbraw/zinc/52/13/12/562521312.db2.gz ONERFMKZHXTCRQ-MRXNPFEDSA-N -1 3 363.395 2.428 20 5 FEBDHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000535532807 562560593 /nfs/dbraw/zinc/56/05/93/562560593.db2.gz OJWAWUCCUDPPTK-VIFPVBQESA-N -1 3 364.807 2.116 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1c(F)cccc1F ZINC000738357535 598976035 /nfs/dbraw/zinc/97/60/35/598976035.db2.gz FDTUUMFTDAHBBA-ZDUSSCGKSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1c(F)cccc1F ZINC000738357535 598976037 /nfs/dbraw/zinc/97/60/37/598976037.db2.gz FDTUUMFTDAHBBA-ZDUSSCGKSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@H](CCO)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368839 598974107 /nfs/dbraw/zinc/97/41/07/598974107.db2.gz DOZCQNKHJRYPBJ-ZDUSSCGKSA-N -1 3 354.370 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@H](CCO)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738368839 598974109 /nfs/dbraw/zinc/97/41/09/598974109.db2.gz DOZCQNKHJRYPBJ-ZDUSSCGKSA-N -1 3 354.370 2.353 20 5 FEBDHM CCc1ccc(OCC(=O)Nc2sccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736691885 599014236 /nfs/dbraw/zinc/01/42/36/599014236.db2.gz SGBNWXNMGVDWOC-UHFFFAOYSA-N -1 3 374.382 2.416 20 5 FEBDHM CCc1ccc(OCC(=O)Nc2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736691885 599014237 /nfs/dbraw/zinc/01/42/37/599014237.db2.gz SGBNWXNMGVDWOC-UHFFFAOYSA-N -1 3 374.382 2.416 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821846361 599048406 /nfs/dbraw/zinc/04/84/06/599048406.db2.gz RZOABFUDZGMSEQ-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738232576 599062640 /nfs/dbraw/zinc/06/26/40/599062640.db2.gz SOGUEESTEFBZNY-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738232576 599062643 /nfs/dbraw/zinc/06/26/43/599062643.db2.gz SOGUEESTEFBZNY-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738369835 599173228 /nfs/dbraw/zinc/17/32/28/599173228.db2.gz PTAORJIDOKPHSW-QPUJVOFHSA-N -1 3 359.296 2.416 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738369835 599173230 /nfs/dbraw/zinc/17/32/30/599173230.db2.gz PTAORJIDOKPHSW-QPUJVOFHSA-N -1 3 359.296 2.416 20 5 FEBDHM CCSc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000821460802 599190177 /nfs/dbraw/zinc/19/01/77/599190177.db2.gz DSHKAJSNLDAVMN-UHFFFAOYSA-N -1 3 368.429 2.285 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737050827 598247006 /nfs/dbraw/zinc/24/70/06/598247006.db2.gz FVQFQAVVPZDBRN-UHFFFAOYSA-N -1 3 358.270 2.484 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737050827 598247008 /nfs/dbraw/zinc/24/70/08/598247008.db2.gz FVQFQAVVPZDBRN-UHFFFAOYSA-N -1 3 358.270 2.484 20 5 FEBDHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737308660 598311966 /nfs/dbraw/zinc/31/19/66/598311966.db2.gz MRNGNHZRDZFRSQ-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737308660 598311968 /nfs/dbraw/zinc/31/19/68/598311968.db2.gz MRNGNHZRDZFRSQ-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccn(Cc2ccccn2)n1 ZINC000738358145 598521649 /nfs/dbraw/zinc/52/16/49/598521649.db2.gz LNBUOBIHGQVLMA-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccn(Cc2ccccn2)n1 ZINC000738358145 598521650 /nfs/dbraw/zinc/52/16/50/598521650.db2.gz LNBUOBIHGQVLMA-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM Cc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cccc1-c1nn[n-]n1 ZINC000822115597 607361599 /nfs/dbraw/zinc/36/15/99/607361599.db2.gz GKUNFFRFCRQBRD-UHFFFAOYSA-N -1 3 364.325 2.212 20 5 FEBDHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736155146 598773701 /nfs/dbraw/zinc/77/37/01/598773701.db2.gz IPFIIGINFNDBIN-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736155146 598773702 /nfs/dbraw/zinc/77/37/02/598773702.db2.gz IPFIIGINFNDBIN-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736156430 598778617 /nfs/dbraw/zinc/77/86/17/598778617.db2.gz WBFLICYXABMSHG-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM COc1cccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737129044 598795541 /nfs/dbraw/zinc/79/55/41/598795541.db2.gz HWGCJZJUHMLNKW-SNVBAGLBSA-N -1 3 355.358 2.222 20 5 FEBDHM COc1cccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737129044 598795543 /nfs/dbraw/zinc/79/55/43/598795543.db2.gz HWGCJZJUHMLNKW-SNVBAGLBSA-N -1 3 355.358 2.222 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC000820169211 607406942 /nfs/dbraw/zinc/40/69/42/607406942.db2.gz IAVXCMBIMORUSU-UHFFFAOYSA-N -1 3 369.341 2.209 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC000820169211 607406943 /nfs/dbraw/zinc/40/69/43/607406943.db2.gz IAVXCMBIMORUSU-UHFFFAOYSA-N -1 3 369.341 2.209 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCN2CCCC2)c(Cl)cc1Cl ZINC000809806230 674510917 /nfs/dbraw/zinc/51/09/17/674510917.db2.gz HDEVXAACXRYQMP-UHFFFAOYSA-N -1 3 368.242 2.276 20 5 FEBDHM COc1ccc(OCCN2CCC([C@@H](C)NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829501026 604054047 /nfs/dbraw/zinc/05/40/47/604054047.db2.gz TXKYSZQARHHQTM-GFCCVEGCSA-N -1 3 367.402 2.350 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@]1(O)CCc2ccccc21 ZINC000826497907 607739314 /nfs/dbraw/zinc/73/93/14/607739314.db2.gz YHJGHABENZXYPQ-QGZVFWFLSA-N -1 3 352.354 2.021 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@]1(O)CCc2ccccc21 ZINC000826497907 607739315 /nfs/dbraw/zinc/73/93/15/607739315.db2.gz YHJGHABENZXYPQ-QGZVFWFLSA-N -1 3 352.354 2.021 20 5 FEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000821619473 606061269 /nfs/dbraw/zinc/06/12/69/606061269.db2.gz YORSVSCTKFRUOY-CQSZACIVSA-N -1 3 354.370 2.335 20 5 FEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000821619473 606061275 /nfs/dbraw/zinc/06/12/75/606061275.db2.gz YORSVSCTKFRUOY-CQSZACIVSA-N -1 3 354.370 2.335 20 5 FEBDHM COc1ccc([C@@H](CCO)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821777083 606101566 /nfs/dbraw/zinc/10/15/66/606101566.db2.gz ACPKMNVBMSWNQA-OAHLLOKOSA-N -1 3 370.369 2.319 20 5 FEBDHM COc1ccc([C@@H](CCO)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821777083 606101570 /nfs/dbraw/zinc/10/15/70/606101570.db2.gz ACPKMNVBMSWNQA-OAHLLOKOSA-N -1 3 370.369 2.319 20 5 FEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823032117 606172174 /nfs/dbraw/zinc/17/21/74/606172174.db2.gz NKOJPZWVCVKDIR-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823032117 606172175 /nfs/dbraw/zinc/17/21/75/606172175.db2.gz NKOJPZWVCVKDIR-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM CCn1ncc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821568061 606241516 /nfs/dbraw/zinc/24/15/16/606241516.db2.gz FQRILSIJKLWYER-ZDUSSCGKSA-N -1 3 354.374 2.481 20 5 FEBDHM CCn1ncc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821568061 606241517 /nfs/dbraw/zinc/24/15/17/606241517.db2.gz FQRILSIJKLWYER-ZDUSSCGKSA-N -1 3 354.374 2.481 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821612351 606667899 /nfs/dbraw/zinc/66/78/99/606667899.db2.gz RIQRYQHWGOJQFC-UHFFFAOYSA-N -1 3 366.381 2.366 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821612351 606667900 /nfs/dbraw/zinc/66/79/00/606667900.db2.gz RIQRYQHWGOJQFC-UHFFFAOYSA-N -1 3 366.381 2.366 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000823639724 607017510 /nfs/dbraw/zinc/01/75/10/607017510.db2.gz GHPLMXUAEMGTPF-UHFFFAOYSA-N -1 3 362.353 2.255 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000823639724 607017512 /nfs/dbraw/zinc/01/75/12/607017512.db2.gz GHPLMXUAEMGTPF-UHFFFAOYSA-N -1 3 362.353 2.255 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(F)ccc3-c3nnn[n-]3)n2)c1 ZINC000823643727 607040588 /nfs/dbraw/zinc/04/05/88/607040588.db2.gz AARBLCNQRIIMMZ-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(F)ccc3-c3nn[n-]n3)n2)c1 ZINC000823643727 607040589 /nfs/dbraw/zinc/04/05/89/607040589.db2.gz AARBLCNQRIIMMZ-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823630079 607176630 /nfs/dbraw/zinc/17/66/30/607176630.db2.gz QSMVTUSAQABSBI-ABAIWWIYSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823630079 607176631 /nfs/dbraw/zinc/17/66/31/607176631.db2.gz QSMVTUSAQABSBI-ABAIWWIYSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1cc(N2CC[C@@H](CNc3ccccn3)C2)ccc1-c1nnn[n-]1 ZINC000826498496 607841396 /nfs/dbraw/zinc/84/13/96/607841396.db2.gz XHGCKCWFECBYRB-LBPRGKRZSA-N -1 3 366.385 2.108 20 5 FEBDHM O=[N+]([O-])c1cc(N2CC[C@@H](CNc3ccccn3)C2)ccc1-c1nn[n-]n1 ZINC000826498496 607841397 /nfs/dbraw/zinc/84/13/97/607841397.db2.gz XHGCKCWFECBYRB-LBPRGKRZSA-N -1 3 366.385 2.108 20 5 FEBDHM C[C@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824706155 607849334 /nfs/dbraw/zinc/84/93/34/607849334.db2.gz HENXMEYTYWZIJN-LBPRGKRZSA-N -1 3 354.370 2.162 20 5 FEBDHM C[C@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824706155 607849335 /nfs/dbraw/zinc/84/93/35/607849335.db2.gz HENXMEYTYWZIJN-LBPRGKRZSA-N -1 3 354.370 2.162 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1c(F)cccc1F ZINC000826497326 607873569 /nfs/dbraw/zinc/87/35/69/607873569.db2.gz CKKVHWPQAUUEOC-LBPRGKRZSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1c(F)cccc1F ZINC000826497326 607873570 /nfs/dbraw/zinc/87/35/70/607873570.db2.gz CKKVHWPQAUUEOC-LBPRGKRZSA-N -1 3 363.280 2.166 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826402349 608005019 /nfs/dbraw/zinc/00/50/19/608005019.db2.gz RJIKDUGTVRKSDY-HJWRWDBZSA-N -1 3 364.365 2.147 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826402349 608005020 /nfs/dbraw/zinc/00/50/20/608005020.db2.gz RJIKDUGTVRKSDY-HJWRWDBZSA-N -1 3 364.365 2.147 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826439972 608008161 /nfs/dbraw/zinc/00/81/61/608008161.db2.gz SGUKRNJNABSJAX-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826439972 608008162 /nfs/dbraw/zinc/00/81/62/608008162.db2.gz SGUKRNJNABSJAX-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826304760 608008719 /nfs/dbraw/zinc/00/87/19/608008719.db2.gz XAMXLBRVBYUMQF-NSHDSACASA-N -1 3 369.337 2.456 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826304760 608008720 /nfs/dbraw/zinc/00/87/20/608008720.db2.gz XAMXLBRVBYUMQF-NSHDSACASA-N -1 3 369.337 2.456 20 5 FEBDHM COC[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826148620 608162835 /nfs/dbraw/zinc/16/28/35/608162835.db2.gz MSBOJLRJGLZOJN-SSDOTTSWSA-N -1 3 354.754 2.039 20 5 FEBDHM COC[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826148620 608162837 /nfs/dbraw/zinc/16/28/37/608162837.db2.gz MSBOJLRJGLZOJN-SSDOTTSWSA-N -1 3 354.754 2.039 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000826172200 608349888 /nfs/dbraw/zinc/34/98/88/608349888.db2.gz SKRUQTGOOCDEAX-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000826172200 608349889 /nfs/dbraw/zinc/34/98/89/608349889.db2.gz SKRUQTGOOCDEAX-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1nnc(SCCOc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC000826336989 609306749 /nfs/dbraw/zinc/30/67/49/609306749.db2.gz XHHSMEYQGMFHEL-UHFFFAOYSA-N -1 3 373.398 2.353 20 5 FEBDHM Cc1nnc(SCCOc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC000826336989 609306751 /nfs/dbraw/zinc/30/67/51/609306751.db2.gz XHHSMEYQGMFHEL-UHFFFAOYSA-N -1 3 373.398 2.353 20 5 FEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000826162657 609484533 /nfs/dbraw/zinc/48/45/33/609484533.db2.gz MKIBNTHYKMGYRE-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000826162657 609484536 /nfs/dbraw/zinc/48/45/36/609484536.db2.gz MKIBNTHYKMGYRE-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C ZINC000815018452 674897851 /nfs/dbraw/zinc/89/78/51/674897851.db2.gz QBSFRIFGFXYWGN-IUCAKERBSA-N -1 3 365.814 2.148 20 5 FEBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cnoc1 ZINC000611193279 676024262 /nfs/dbraw/zinc/02/42/62/676024262.db2.gz MNNMMFAWMXHDTQ-UHFFFAOYSA-N -1 3 351.340 2.490 20 5 FEBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592084099 672750835 /nfs/dbraw/zinc/75/08/35/672750835.db2.gz UDJZQOJPAFIQDF-UWVGGRQHSA-N -1 3 350.824 2.324 20 5 FEBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592084859 672751252 /nfs/dbraw/zinc/75/12/52/672751252.db2.gz XSRLAZGMEVXBLA-MWLCHTKSSA-N -1 3 350.824 2.324 20 5 FEBDHM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000612174424 676072144 /nfs/dbraw/zinc/07/21/44/676072144.db2.gz KRLRRGUGWPIJQF-KBPBESRZSA-N -1 3 360.819 2.484 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000612174427 676072158 /nfs/dbraw/zinc/07/21/58/676072158.db2.gz KRLRRGUGWPIJQF-ZIAGYGMSSA-N -1 3 360.819 2.484 20 5 FEBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000593562392 672944302 /nfs/dbraw/zinc/94/43/02/672944302.db2.gz UYBPTGOFDCTFHP-KGLIPLIRSA-N -1 3 369.443 2.396 20 5 FEBDHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593564868 672945215 /nfs/dbraw/zinc/94/52/15/672945215.db2.gz ARDKHSFGOXCCIC-UHFFFAOYSA-N -1 3 365.411 2.300 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c(F)c1 ZINC000594474756 673081231 /nfs/dbraw/zinc/08/12/31/673081231.db2.gz RYDXYVBNQQIYCW-UKRRQHHQSA-N -1 3 358.391 2.360 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594807276 673149466 /nfs/dbraw/zinc/14/94/66/673149466.db2.gz WIRBCAIHTXWGEL-SNVBAGLBSA-N -1 3 368.333 2.053 20 5 FEBDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000542238195 673568934 /nfs/dbraw/zinc/56/89/34/673568934.db2.gz NUYDDAULGPNCJY-NSHDSACASA-N -1 3 372.374 2.253 20 5 FEBDHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000542240538 673569483 /nfs/dbraw/zinc/56/94/83/673569483.db2.gz CSSZOYPRNUTXPY-PELKAZGASA-N -1 3 368.333 2.459 20 5 FEBDHM COc1cc(CNC[C@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000598989920 673626811 /nfs/dbraw/zinc/62/68/11/673626811.db2.gz VYVVRVRKWDRCAV-ZDUSSCGKSA-N -1 3 360.292 2.399 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601357070 673847561 /nfs/dbraw/zinc/84/75/61/673847561.db2.gz KBOCEUZYJRIFQM-YUSALJHKSA-N -1 3 360.457 2.447 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])s1 ZINC000601377641 673851790 /nfs/dbraw/zinc/85/17/90/673851790.db2.gz HHAWLHDDELURHM-WCQGTBRESA-N -1 3 358.441 2.201 20 5 FEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H]1SC ZINC000601452556 673864434 /nfs/dbraw/zinc/86/44/34/673864434.db2.gz KVJISTGODQPBSL-KKZNHRDASA-N -1 3 366.486 2.152 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccon2)c(C(F)(F)F)c1 ZINC000746672509 673889347 /nfs/dbraw/zinc/88/93/47/673889347.db2.gz PVHGXUZIBPPORY-UHFFFAOYSA-N -1 3 351.262 2.080 20 5 FEBDHM CSc1ccncc1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000619776013 676394204 /nfs/dbraw/zinc/39/42/04/676394204.db2.gz BFOAXLGNYHJEQC-UHFFFAOYSA-N -1 3 367.408 2.368 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000831997982 680072709 /nfs/dbraw/zinc/07/27/09/680072709.db2.gz PPBFGJGCZOOIHQ-UHFFFAOYSA-N -1 3 366.798 2.354 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn(C)c1=O ZINC000767717505 680923734 /nfs/dbraw/zinc/92/37/34/680923734.db2.gz WZDKYMBAAPXPEX-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2cc(NC(C)=O)c(F)cc2F)c1[N+](=O)[O-] ZINC000767734982 680924525 /nfs/dbraw/zinc/92/45/25/680924525.db2.gz JKMOCJHUFDNONW-UHFFFAOYSA-N -1 3 353.285 2.369 20 5 FEBDHM CC[C@@H](C)Oc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000849307731 681682560 /nfs/dbraw/zinc/68/25/60/681682560.db2.gz DKSJHQRGNFYPOE-LLVKDONJSA-N -1 3 366.399 2.473 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000849424490 681729218 /nfs/dbraw/zinc/72/92/18/681729218.db2.gz SPUXRKQDIKCHCA-BDAKNGLRSA-N -1 3 371.806 2.132 20 5 FEBDHM O=C1[N-]C(=O)C(=CNNc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000917604654 685533256 /nfs/dbraw/zinc/53/32/56/685533256.db2.gz PCYJNLYRRVFNHY-XYOKQWHBSA-N -1 3 358.741 2.476 20 5 FEBDHM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000859318664 683082556 /nfs/dbraw/zinc/08/25/56/683082556.db2.gz MVOAKMLUJSQEGO-NSHDSACASA-N -1 3 374.802 2.178 20 5 FEBDHM COC(=O)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)no1 ZINC000798246813 683327094 /nfs/dbraw/zinc/32/70/94/683327094.db2.gz RFHWDDBGTCLSMQ-UHFFFAOYSA-N -1 3 370.115 2.384 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000920924890 683378991 /nfs/dbraw/zinc/37/89/91/683378991.db2.gz RMDBVDGOIXQLNR-IONNQARKSA-N -1 3 374.362 2.353 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c([N+](=O)[O-])s1 ZINC000866935423 684183329 /nfs/dbraw/zinc/18/33/29/684183329.db2.gz AEHBNNOAWBBCPC-QMMMGPOBSA-N -1 3 354.500 2.092 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000867885833 684418900 /nfs/dbraw/zinc/41/89/00/684418900.db2.gz XUQJGTPVFAJHJZ-WCQYABFASA-N -1 3 358.391 2.136 20 5 FEBDHM CCN1CCN(CCCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000910347401 691918571 /nfs/dbraw/zinc/91/85/71/691918571.db2.gz WZDJYEZJZLTGFW-UHFFFAOYSA-N -1 3 350.419 2.041 20 5 FEBDHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000011752223 539535184 /nfs/dbraw/zinc/53/51/84/539535184.db2.gz LOTJIBKUBPVUDS-UHFFFAOYSA-N -1 3 374.334 2.329 20 5 FEBDHM COC(=O)CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032412232 539937378 /nfs/dbraw/zinc/93/73/78/539937378.db2.gz YUJCRAPLCVTATC-UHFFFAOYSA-N -1 3 374.415 2.005 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Cn2ccnc2)cc1 ZINC000046407460 540255999 /nfs/dbraw/zinc/25/59/99/540255999.db2.gz URLUTWAKHYFPOZ-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cn1cccn1 ZINC000056072805 540700032 /nfs/dbraw/zinc/70/00/32/540700032.db2.gz HKIIXBCBRATTKZ-JTQLQIEISA-N -1 3 358.807 2.059 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000056088674 540702041 /nfs/dbraw/zinc/70/20/41/540702041.db2.gz GWSHCSWHWITLGO-UHFFFAOYSA-N -1 3 350.381 2.078 20 5 FEBDHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060499351 541115028 /nfs/dbraw/zinc/11/50/28/541115028.db2.gz SEHBRVNMNTZDOD-UHFFFAOYSA-N -1 3 366.443 2.083 20 5 FEBDHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000065975128 541276239 /nfs/dbraw/zinc/27/62/39/541276239.db2.gz BVWYDKGSXPKYGV-UHFFFAOYSA-N -1 3 374.422 2.485 20 5 FEBDHM C[C@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333515 541303298 /nfs/dbraw/zinc/30/32/98/541303298.db2.gz FLGYKSSMOQBTJY-RYUDHWBXSA-N -1 3 361.489 2.303 20 5 FEBDHM CC[C@@H]1C[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC(=O)N1 ZINC000543616927 541621893 /nfs/dbraw/zinc/62/18/93/541621893.db2.gz OSLFGIOHHMHAKD-NWDGAFQWSA-N -1 3 357.370 2.228 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2ccncc2Br)ccc1[N+](=O)[O-] ZINC000551297393 674136210 /nfs/dbraw/zinc/13/62/10/674136210.db2.gz WAWQACUGTBKDJH-UHFFFAOYSA-N -1 3 372.200 2.283 20 5 FEBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000107704080 543275930 /nfs/dbraw/zinc/27/59/30/543275930.db2.gz NADIUXGLDPMVLU-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000123091835 543741054 /nfs/dbraw/zinc/74/10/54/543741054.db2.gz CPSMUGFKUJMSKD-UHFFFAOYSA-N -1 3 362.351 2.212 20 5 FEBDHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000128652663 544065082 /nfs/dbraw/zinc/06/50/82/544065082.db2.gz ZLXAFBISMBAXMG-SNVBAGLBSA-N -1 3 363.301 2.276 20 5 FEBDHM CSCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128711952 544067982 /nfs/dbraw/zinc/06/79/82/544067982.db2.gz WFBJZTVVSCUQKV-UHFFFAOYSA-N -1 3 369.262 2.389 20 5 FEBDHM O=C(NCC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130491238 544153569 /nfs/dbraw/zinc/15/35/69/544153569.db2.gz YAGFPEREOMDWIU-UHFFFAOYSA-N -1 3 363.414 2.065 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([N+](=O)[O-])c1 ZINC000134479266 544310276 /nfs/dbraw/zinc/31/02/76/544310276.db2.gz DGTLNPSMKJEIJW-DAYGRLMNSA-N -1 3 374.418 2.468 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134879673 544325270 /nfs/dbraw/zinc/32/52/70/544325270.db2.gz VKQJMEVZHPHZKY-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)cc1C ZINC000510445797 561834709 /nfs/dbraw/zinc/83/47/09/561834709.db2.gz GNQCDTQDFJAPIB-OAHLLOKOSA-N -1 3 364.427 2.375 20 5 FEBDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000511271358 561863405 /nfs/dbraw/zinc/86/34/05/561863405.db2.gz LOWINTVKEKBLCW-CYBMUJFWSA-N -1 3 370.818 2.411 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000364126281 555255057 /nfs/dbraw/zinc/25/50/57/555255057.db2.gz LRIMNTCPOPIHMW-HOTGVXAUSA-N -1 3 370.427 2.087 20 5 FEBDHM CCc1ccc([C@H]2COCCN2C(=O)c2cc(C)[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000368537327 556339241 /nfs/dbraw/zinc/33/92/41/556339241.db2.gz HYMFUHWKMFXESM-CYBMUJFWSA-N -1 3 361.354 2.373 20 5 FEBDHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)s1 ZINC000368733674 556400727 /nfs/dbraw/zinc/40/07/27/556400727.db2.gz QJNXGLTZGMEQID-UHFFFAOYSA-N -1 3 373.398 2.463 20 5 FEBDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 ZINC000515558990 562015193 /nfs/dbraw/zinc/01/51/93/562015193.db2.gz GMCWVGBJBRUTDG-AWEZNQCLSA-N -1 3 362.407 2.494 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000371724383 557275277 /nfs/dbraw/zinc/27/52/77/557275277.db2.gz AINAFQCJWWTOMJ-NSHDSACASA-N -1 3 368.342 2.155 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000374448890 557885590 /nfs/dbraw/zinc/88/55/90/557885590.db2.gz KRZZNVJNADFYBB-OAHLLOKOSA-N -1 3 370.427 2.231 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375094149 557977146 /nfs/dbraw/zinc/97/71/46/557977146.db2.gz NTNNCJDLPZGLQW-UHFFFAOYSA-N -1 3 354.326 2.052 20 5 FEBDHM Cc1cc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375101560 557978157 /nfs/dbraw/zinc/97/81/57/557978157.db2.gz QQEFWMOIAZTPQV-LJQANCHMSA-N -1 3 369.377 2.318 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000522716893 562202672 /nfs/dbraw/zinc/20/26/72/562202672.db2.gz ZUBFNUDYWKGYKO-UHFFFAOYSA-N -1 3 362.407 2.297 20 5 FEBDHM O=C([N-][C@@H]1COc2ccccc2[C@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378140977 558489296 /nfs/dbraw/zinc/48/92/96/558489296.db2.gz UCMGQMVUJZXVRG-UKRRQHHQSA-N -1 3 364.304 2.297 20 5 FEBDHM C[C@]1(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)cc2)NC(=O)[N-]C1=O ZINC000523182188 562209346 /nfs/dbraw/zinc/20/93/46/562209346.db2.gz ZHBDXIHVGDAYIW-QGZVFWFLSA-N -1 3 358.329 2.401 20 5 FEBDHM CCC[C@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC ZINC000392152196 558616038 /nfs/dbraw/zinc/61/60/38/558616038.db2.gz CAJWGRSZJHGFNX-HNNXBMFYSA-N -1 3 358.416 2.222 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)N2CCCC2)c1 ZINC000408015008 558638301 /nfs/dbraw/zinc/63/83/01/558638301.db2.gz YZQVTZSBATZMPR-UHFFFAOYSA-N -1 3 350.194 2.110 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)c(C)cc1[N+](=O)[O-] ZINC000414459337 559165438 /nfs/dbraw/zinc/16/54/38/559165438.db2.gz ZMAKJBKBONQSOL-LBPRGKRZSA-N -1 3 368.333 2.211 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416396981 559310127 /nfs/dbraw/zinc/31/01/27/559310127.db2.gz GTHAJSNOTWXWFX-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416422066 559311877 /nfs/dbraw/zinc/31/18/77/559311877.db2.gz IJEIQTOAGCEPOX-VIFPVBQESA-N -1 3 370.349 2.301 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)C(C)C ZINC000416547522 559321071 /nfs/dbraw/zinc/32/10/71/559321071.db2.gz LWWHRWHRVMETKN-HIFRSBDPSA-N -1 3 356.400 2.094 20 5 FEBDHM C[C@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC=CCC1 ZINC000416551378 559321213 /nfs/dbraw/zinc/32/12/13/559321213.db2.gz BLIJTGPSOKYEQF-HNNXBMFYSA-N -1 3 354.384 2.143 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000425958200 559725921 /nfs/dbraw/zinc/72/59/21/559725921.db2.gz LZVBBOXFABLNEE-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM COC(=O)COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000426802849 559742230 /nfs/dbraw/zinc/74/22/30/559742230.db2.gz YELXNUOVVNEOOS-QGZVFWFLSA-N -1 3 374.349 2.062 20 5 FEBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1NC(N)=O ZINC000427955316 559766248 /nfs/dbraw/zinc/76/62/48/559766248.db2.gz XCZGDVFIERENHZ-UHFFFAOYSA-N -1 3 370.325 2.223 20 5 FEBDHM CCc1noc(C)c1[N-]C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431825004 559846821 /nfs/dbraw/zinc/84/68/21/559846821.db2.gz QQHQCMQHOIXVJH-UHFFFAOYSA-N -1 3 372.337 2.359 20 5 FEBDHM COc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1 ZINC000436526936 559944260 /nfs/dbraw/zinc/94/42/60/559944260.db2.gz HCLZMVIBHQJTRA-LLVKDONJSA-N -1 3 358.354 2.031 20 5 FEBDHM COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436737216 559950697 /nfs/dbraw/zinc/95/06/97/559950697.db2.gz PQNJFIMWEVPWKB-INIZCTEOSA-N -1 3 359.382 2.342 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000443267464 560076918 /nfs/dbraw/zinc/07/69/18/560076918.db2.gz ALTFEZVNLWNFRW-CYBMUJFWSA-N -1 3 354.359 2.054 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000443508118 560085989 /nfs/dbraw/zinc/08/59/89/560085989.db2.gz ICMWBCMYDDONIJ-SWLSCSKDSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000443972561 560098142 /nfs/dbraw/zinc/09/81/42/560098142.db2.gz MXPKLVJUBHVGFR-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2c(nc[n-]c2=O)C1 ZINC000445158478 560130129 /nfs/dbraw/zinc/13/01/29/560130129.db2.gz LKXHMAVQBYLQLL-UHFFFAOYSA-N -1 3 372.384 2.375 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447941472 560174204 /nfs/dbraw/zinc/17/42/04/560174204.db2.gz FMCNPQKOOHVCIG-OAHLLOKOSA-N -1 3 371.459 2.002 20 5 FEBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CCCC1 ZINC000451742029 560325926 /nfs/dbraw/zinc/32/59/26/560325926.db2.gz PJLYRUKCLCEGDE-UHFFFAOYSA-N -1 3 356.400 2.383 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000451819815 560330740 /nfs/dbraw/zinc/33/07/40/560330740.db2.gz BNDBJVQORUBYFZ-TZMCWYRMSA-N -1 3 372.443 2.333 20 5 FEBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000451826830 560331128 /nfs/dbraw/zinc/33/11/28/560331128.db2.gz PMKOXFCYRMPEGS-MRXNPFEDSA-N -1 3 350.396 2.435 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451868223 560333459 /nfs/dbraw/zinc/33/34/59/560333459.db2.gz ZQFWCEVVRXRUQZ-XJKSGUPXSA-N -1 3 374.459 2.171 20 5 FEBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000462327865 560806226 /nfs/dbraw/zinc/80/62/26/560806226.db2.gz PQCOKZRUYJOABB-KBPBESRZSA-N -1 3 358.391 2.360 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c1C ZINC000467305552 560908281 /nfs/dbraw/zinc/90/82/81/560908281.db2.gz DEZFHVDTCTZEEW-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000468925405 560942394 /nfs/dbraw/zinc/94/23/94/560942394.db2.gz IHVDPRDVDMDFGU-UHFFFAOYSA-N -1 3 356.400 2.383 20 5 FEBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000472193599 561020803 /nfs/dbraw/zinc/02/08/03/561020803.db2.gz MLJLTUPBTDXPEE-UHFFFAOYSA-N -1 3 350.824 2.468 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ncccc2F)c1C ZINC000533009321 562495476 /nfs/dbraw/zinc/49/54/76/562495476.db2.gz KWHYIUQLQPAFQE-UHFFFAOYSA-N -1 3 369.374 2.103 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)c([N+](=O)[O-])c1 ZINC000533693024 562516234 /nfs/dbraw/zinc/51/62/34/562516234.db2.gz LGXCQSXCBCBIPZ-UHFFFAOYSA-N -1 3 362.411 2.092 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(O)CCCC2(C)C)c1[N+](=O)[O-] ZINC000549885622 562640857 /nfs/dbraw/zinc/64/08/57/562640857.db2.gz XIMVLBZJUKZVAX-MRXNPFEDSA-N -1 3 356.444 2.431 20 5 FEBDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000568955205 568255811 /nfs/dbraw/zinc/25/58/11/568255811.db2.gz WWJQUXUYCISTJF-UHFFFAOYSA-N -1 3 373.350 2.433 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1c(F)cccc1F ZINC000738357532 598975918 /nfs/dbraw/zinc/97/59/18/598975918.db2.gz FDTUUMFTDAHBBA-CYBMUJFWSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1c(F)cccc1F ZINC000738357532 598975920 /nfs/dbraw/zinc/97/59/20/598975920.db2.gz FDTUUMFTDAHBBA-CYBMUJFWSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000823645082 599091294 /nfs/dbraw/zinc/09/12/94/599091294.db2.gz NLYPNTWCXUGVDF-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000823645082 599091297 /nfs/dbraw/zinc/09/12/97/599091297.db2.gz NLYPNTWCXUGVDF-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821357128 599100177 /nfs/dbraw/zinc/10/01/77/599100177.db2.gz ADMBEXBIWDFGTD-CHWSQXEVSA-N -1 3 359.390 2.320 20 5 FEBDHM CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821357128 599100179 /nfs/dbraw/zinc/10/01/79/599100179.db2.gz ADMBEXBIWDFGTD-CHWSQXEVSA-N -1 3 359.390 2.320 20 5 FEBDHM COc1c(C)cc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000737022790 598248182 /nfs/dbraw/zinc/24/81/82/598248182.db2.gz BPLBPGZMNHQLMU-UHFFFAOYSA-N -1 3 369.385 2.432 20 5 FEBDHM COc1c(C)cc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000737022790 598248183 /nfs/dbraw/zinc/24/81/83/598248183.db2.gz BPLBPGZMNHQLMU-UHFFFAOYSA-N -1 3 369.385 2.432 20 5 FEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737086171 598531170 /nfs/dbraw/zinc/53/11/70/598531170.db2.gz FJKDOVXPNCJALE-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737086171 598531171 /nfs/dbraw/zinc/53/11/71/598531171.db2.gz FJKDOVXPNCJALE-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737050796 598569218 /nfs/dbraw/zinc/56/92/18/598569218.db2.gz FILBNSCBVUYRLW-UHFFFAOYSA-N -1 3 355.310 2.045 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737050796 598569219 /nfs/dbraw/zinc/56/92/19/598569219.db2.gz FILBNSCBVUYRLW-UHFFFAOYSA-N -1 3 355.310 2.045 20 5 FEBDHM C[C@H](c1ccccc1)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736200898 598628252 /nfs/dbraw/zinc/62/82/52/598628252.db2.gz FNTNVDWKZPJSAV-BDJLRTHQSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@H](c1ccccc1)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736200898 598628254 /nfs/dbraw/zinc/62/82/54/598628254.db2.gz FNTNVDWKZPJSAV-BDJLRTHQSA-N -1 3 354.370 2.351 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(C3(O)COC3)cc2)s1 ZINC000808111230 674441742 /nfs/dbraw/zinc/44/17/42/674441742.db2.gz RFIHCMLMSBNWGA-UHFFFAOYSA-N -1 3 370.408 2.021 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736138681 598747437 /nfs/dbraw/zinc/74/74/37/598747437.db2.gz NQQUCEIMLMURKK-SNVBAGLBSA-N -1 3 353.342 2.214 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736138681 598747439 /nfs/dbraw/zinc/74/74/39/598747439.db2.gz NQQUCEIMLMURKK-SNVBAGLBSA-N -1 3 353.342 2.214 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826293158 607368715 /nfs/dbraw/zinc/36/87/15/607368715.db2.gz CWZWZQTZYLWUFN-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826293158 607368717 /nfs/dbraw/zinc/36/87/17/607368717.db2.gz CWZWZQTZYLWUFN-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737116824 599324434 /nfs/dbraw/zinc/32/44/34/599324434.db2.gz ROIHSGDCNGAXFK-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737116824 599324437 /nfs/dbraw/zinc/32/44/37/599324437.db2.gz ROIHSGDCNGAXFK-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM CN(Cc1ccncc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821615740 599469202 /nfs/dbraw/zinc/46/92/02/599469202.db2.gz LJEDOUVRIPEOPQ-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CN(Cc1ccncc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821615740 599469204 /nfs/dbraw/zinc/46/92/04/599469204.db2.gz LJEDOUVRIPEOPQ-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CCO[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821367718 599495460 /nfs/dbraw/zinc/49/54/60/599495460.db2.gz MLKRIQBDESVMPG-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM CCO[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821367718 599495463 /nfs/dbraw/zinc/49/54/63/599495463.db2.gz MLKRIQBDESVMPG-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820334948 599544412 /nfs/dbraw/zinc/54/44/12/599544412.db2.gz RINMAOFKEFHVSL-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820334948 599544415 /nfs/dbraw/zinc/54/44/15/599544415.db2.gz RINMAOFKEFHVSL-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM CC(C)[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820017032 599684847 /nfs/dbraw/zinc/68/48/47/599684847.db2.gz SKELIUROKJWCPK-INIZCTEOSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820017032 599684848 /nfs/dbraw/zinc/68/48/48/599684848.db2.gz SKELIUROKJWCPK-INIZCTEOSA-N -1 3 357.374 2.142 20 5 FEBDHM CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737359401 599997599 /nfs/dbraw/zinc/99/75/99/599997599.db2.gz SSKYIUARYVKTTR-MRXNPFEDSA-N -1 3 369.377 2.426 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000821749716 607414676 /nfs/dbraw/zinc/41/46/76/607414676.db2.gz VMBAAWRIYFBHKU-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000821749716 607414678 /nfs/dbraw/zinc/41/46/78/607414678.db2.gz VMBAAWRIYFBHKU-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826253987 607445514 /nfs/dbraw/zinc/44/55/14/607445514.db2.gz ODSPVIGWZRWVDO-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826253987 607445516 /nfs/dbraw/zinc/44/55/16/607445516.db2.gz ODSPVIGWZRWVDO-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC000826206303 607596277 /nfs/dbraw/zinc/59/62/77/607596277.db2.gz MQAZBCMUYIXVOL-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nn[n-]n1 ZINC000826206303 607596278 /nfs/dbraw/zinc/59/62/78/607596278.db2.gz MQAZBCMUYIXVOL-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826185809 607676536 /nfs/dbraw/zinc/67/65/36/607676536.db2.gz UVATYHYDUZOEEG-UHFFFAOYSA-N -1 3 368.353 2.273 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826185809 607676538 /nfs/dbraw/zinc/67/65/38/607676538.db2.gz UVATYHYDUZOEEG-UHFFFAOYSA-N -1 3 368.353 2.273 20 5 FEBDHM COCCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821689903 606240874 /nfs/dbraw/zinc/24/08/74/606240874.db2.gz RAJBFUCZMRELBU-UHFFFAOYSA-N -1 3 368.397 2.470 20 5 FEBDHM COCCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821689903 606240875 /nfs/dbraw/zinc/24/08/75/606240875.db2.gz RAJBFUCZMRELBU-UHFFFAOYSA-N -1 3 368.397 2.470 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000823440512 606364985 /nfs/dbraw/zinc/36/49/85/606364985.db2.gz XGLJJWLLONCHNT-UHFFFAOYSA-N -1 3 366.293 2.273 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000823440512 606364986 /nfs/dbraw/zinc/36/49/86/606364986.db2.gz XGLJJWLLONCHNT-UHFFFAOYSA-N -1 3 366.293 2.273 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2c(F)c(F)cc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000823651756 606431426 /nfs/dbraw/zinc/43/14/26/606431426.db2.gz OYJYPJJKHOGWBZ-UHFFFAOYSA-N -1 3 369.238 2.338 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2c(F)c(F)cc(F)c2F)c(-c2nn[n-]n2)c1 ZINC000823651756 606431428 /nfs/dbraw/zinc/43/14/28/606431428.db2.gz OYJYPJJKHOGWBZ-UHFFFAOYSA-N -1 3 369.238 2.338 20 5 FEBDHM CC1(O)CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820623004 606476734 /nfs/dbraw/zinc/47/67/34/606476734.db2.gz BJTJAYSOWDSOMG-UHFFFAOYSA-N -1 3 369.385 2.429 20 5 FEBDHM CC1(O)CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820623004 606476736 /nfs/dbraw/zinc/47/67/36/606476736.db2.gz BJTJAYSOWDSOMG-UHFFFAOYSA-N -1 3 369.385 2.429 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cnn(CC(F)(F)F)c1 ZINC000823629899 606881096 /nfs/dbraw/zinc/88/10/96/606881096.db2.gz LEWZGXUMVZOJBR-UHFFFAOYSA-N -1 3 368.279 2.146 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cnn(CC(F)(F)F)c1 ZINC000823629899 606881098 /nfs/dbraw/zinc/88/10/98/606881098.db2.gz LEWZGXUMVZOJBR-UHFFFAOYSA-N -1 3 368.279 2.146 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823014854 606997492 /nfs/dbraw/zinc/99/74/92/606997492.db2.gz WQFMSSPLIRSJEE-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823014854 606997493 /nfs/dbraw/zinc/99/74/93/606997493.db2.gz WQFMSSPLIRSJEE-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=C1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1C1CCCCC1 ZINC000823519539 607043563 /nfs/dbraw/zinc/04/35/63/607043563.db2.gz HQCFEHHVWJNLFH-NSHDSACASA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1C1CCCCC1 ZINC000823519539 607043564 /nfs/dbraw/zinc/04/35/64/607043564.db2.gz HQCFEHHVWJNLFH-NSHDSACASA-N -1 3 371.401 2.120 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823630081 607176574 /nfs/dbraw/zinc/17/65/74/607176574.db2.gz QSMVTUSAQABSBI-NHYWBVRUSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823630081 607176575 /nfs/dbraw/zinc/17/65/75/607176575.db2.gz QSMVTUSAQABSBI-NHYWBVRUSA-N -1 3 362.415 2.242 20 5 FEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379251 607795521 /nfs/dbraw/zinc/79/55/21/607795521.db2.gz DOCAYDVFPYNERG-UHFFFAOYSA-N -1 3 353.342 2.145 20 5 FEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379251 607795522 /nfs/dbraw/zinc/79/55/22/607795522.db2.gz DOCAYDVFPYNERG-UHFFFAOYSA-N -1 3 353.342 2.145 20 5 FEBDHM C[C@H](O)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824708016 607849380 /nfs/dbraw/zinc/84/93/80/607849380.db2.gz WHRHAUDCNIGDDZ-LBPRGKRZSA-N -1 3 354.370 2.162 20 5 FEBDHM C[C@H](O)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824708016 607849381 /nfs/dbraw/zinc/84/93/81/607849381.db2.gz WHRHAUDCNIGDDZ-LBPRGKRZSA-N -1 3 354.370 2.162 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cc(-c3nnn[n-]3)ccc1F)C2 ZINC000826500142 607943474 /nfs/dbraw/zinc/94/34/74/607943474.db2.gz MOMHBVCAAYJKOZ-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC000826500142 607943475 /nfs/dbraw/zinc/94/34/75/607943475.db2.gz MOMHBVCAAYJKOZ-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408945 607954387 /nfs/dbraw/zinc/95/43/87/607954387.db2.gz AVGHXAFKJRWSAN-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408945 607954388 /nfs/dbraw/zinc/95/43/88/607954388.db2.gz AVGHXAFKJRWSAN-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM Cc1cccnc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826308063 608161753 /nfs/dbraw/zinc/16/17/53/608161753.db2.gz HYQMEPFVEPLWRJ-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826308063 608161755 /nfs/dbraw/zinc/16/17/55/608161755.db2.gz HYQMEPFVEPLWRJ-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000826171952 608345830 /nfs/dbraw/zinc/34/58/30/608345830.db2.gz GPEVGFOSLNZAED-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000826171952 608345831 /nfs/dbraw/zinc/34/58/31/608345831.db2.gz GPEVGFOSLNZAED-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826179849 609305065 /nfs/dbraw/zinc/30/50/65/609305065.db2.gz HSIAEWGMKMWWIK-UHFFFAOYSA-N -1 3 373.398 2.483 20 5 FEBDHM COc1cc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826179849 609305067 /nfs/dbraw/zinc/30/50/67/609305067.db2.gz HSIAEWGMKMWWIK-UHFFFAOYSA-N -1 3 373.398 2.483 20 5 FEBDHM Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826337002 609306955 /nfs/dbraw/zinc/30/69/55/609306955.db2.gz XXHZFASMURMMCP-UHFFFAOYSA-N -1 3 373.398 2.353 20 5 FEBDHM Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826337002 609306956 /nfs/dbraw/zinc/30/69/56/609306956.db2.gz XXHZFASMURMMCP-UHFFFAOYSA-N -1 3 373.398 2.353 20 5 FEBDHM COc1ncccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000562065837 674719602 /nfs/dbraw/zinc/71/96/02/674719602.db2.gz ZQRADKIRNMCNBE-UHFFFAOYSA-N -1 3 371.802 2.173 20 5 FEBDHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036178 674904426 /nfs/dbraw/zinc/90/44/26/674904426.db2.gz SBKGPCCBKJYNQF-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000158084202 672265803 /nfs/dbraw/zinc/26/58/03/672265803.db2.gz GMSINZIFKNLSQA-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1[O-] ZINC000588098159 672449404 /nfs/dbraw/zinc/44/94/04/672449404.db2.gz GDTDAAXNGUMPKB-UHFFFAOYSA-N -1 3 351.702 2.388 20 5 FEBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862788 672486763 /nfs/dbraw/zinc/48/67/63/672486763.db2.gz SWBMHZVYYUKVBZ-DTWKUNHWSA-N -1 3 364.383 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(F)c1 ZINC000194073348 672746126 /nfs/dbraw/zinc/74/61/26/672746126.db2.gz JRVVTKDASQAOLF-UHFFFAOYSA-N -1 3 351.359 2.139 20 5 FEBDHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544686 672938693 /nfs/dbraw/zinc/93/86/93/672938693.db2.gz JPKKWYPICXEDKJ-UHFFFAOYSA-N -1 3 365.411 2.471 20 5 FEBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593558563 672942659 /nfs/dbraw/zinc/94/26/59/672942659.db2.gz VNGVLYYXOXFDIJ-CQSZACIVSA-N -1 3 357.432 2.254 20 5 FEBDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593558675 672942717 /nfs/dbraw/zinc/94/27/17/672942717.db2.gz YZCDKECSXSHNLY-GFCCVEGCSA-N -1 3 351.384 2.044 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)nc1 ZINC000593569970 672946386 /nfs/dbraw/zinc/94/63/86/672946386.db2.gz REOYTQORFKPOSP-UHFFFAOYSA-N -1 3 369.349 2.278 20 5 FEBDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593587920 672951519 /nfs/dbraw/zinc/95/15/19/672951519.db2.gz GQUJIPUNODCQQI-CQSZACIVSA-N -1 3 351.384 2.046 20 5 FEBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000594793802 673145351 /nfs/dbraw/zinc/14/53/51/673145351.db2.gz DEOIKUPVSXBPGD-MRVPVSSYSA-N -1 3 368.333 2.459 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1(CO)CC1 ZINC000594825818 673153589 /nfs/dbraw/zinc/15/35/89/673153589.db2.gz BVVZIGNZGCJWLQ-MRVPVSSYSA-N -1 3 368.333 2.053 20 5 FEBDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000538285943 673431582 /nfs/dbraw/zinc/43/15/82/673431582.db2.gz BCZSHDUODBDSRM-ABAIWWIYSA-N -1 3 374.390 2.134 20 5 FEBDHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000542240545 673569531 /nfs/dbraw/zinc/56/95/31/673569531.db2.gz CSSZOYPRNUTXPY-QPUJVOFHSA-N -1 3 368.333 2.459 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccno2)c(C(F)(F)F)c1 ZINC000544659150 673724114 /nfs/dbraw/zinc/72/41/14/673724114.db2.gz GCUIUSMMFFDZFK-UHFFFAOYSA-N -1 3 351.262 2.080 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000820792946 675388727 /nfs/dbraw/zinc/38/87/27/675388727.db2.gz MDUUNDQGYUWILU-OAHLLOKOSA-N -1 3 368.386 2.444 20 5 FEBDHM C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000604307305 675804245 /nfs/dbraw/zinc/80/42/45/675804245.db2.gz RJAZGFNXXXTYIU-LBPRGKRZSA-N -1 3 371.459 2.089 20 5 FEBDHM Cc1cnc([N-]C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)s1 ZINC000751213505 680160119 /nfs/dbraw/zinc/16/01/19/680160119.db2.gz YMILXORILSVGKB-UHFFFAOYSA-N -1 3 366.311 2.291 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)c1cccc(F)c1 ZINC000751488794 680182425 /nfs/dbraw/zinc/18/24/25/680182425.db2.gz WDFRRCWFITXSPX-VFZGTOFNSA-N -1 3 372.349 2.273 20 5 FEBDHM CCCCC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000752003975 680217407 /nfs/dbraw/zinc/21/74/07/680217407.db2.gz UQLAWFXTPFYHPC-AWEZNQCLSA-N -1 3 358.416 2.136 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000918194036 685537906 /nfs/dbraw/zinc/53/79/06/685537906.db2.gz QJUFPXYBGNCKRG-RYUDHWBXSA-N -1 3 359.423 2.275 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(F)c1 ZINC000920935848 683381043 /nfs/dbraw/zinc/38/10/43/683381043.db2.gz DOHGTPFXGYMRQA-KWQFWETISA-N -1 3 372.296 2.122 20 5 FEBDHM CCOC(=O)[C@@H](CSC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928293836 683429022 /nfs/dbraw/zinc/42/90/22/683429022.db2.gz SQRAKTVYZMEMCB-LLVKDONJSA-N -1 3 362.354 2.098 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)c(F)c1 ZINC000867736298 684367361 /nfs/dbraw/zinc/36/73/61/684367361.db2.gz LHAJAMMHOXMAFY-XHDPSFHLSA-N -1 3 358.391 2.217 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]23C[C@H]2COC32CCC2)c(Cl)c1 ZINC000908114211 691616786 /nfs/dbraw/zinc/61/67/86/691616786.db2.gz MJOHKWQLJLYTBC-IINYFYTJSA-N -1 3 372.830 2.486 20 5 FEBDHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013598268 539588514 /nfs/dbraw/zinc/58/85/14/539588514.db2.gz CLHSKMHNBXRRHF-UHFFFAOYSA-N -1 3 363.273 2.103 20 5 FEBDHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016085862 539626790 /nfs/dbraw/zinc/62/67/90/539626790.db2.gz VZZNNHMHUKPJAG-UHFFFAOYSA-N -1 3 363.395 2.129 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000045743774 540224246 /nfs/dbraw/zinc/22/42/46/540224246.db2.gz QIDFGEOWDJHONT-CQSZACIVSA-N -1 3 361.423 2.400 20 5 FEBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699326 540550381 /nfs/dbraw/zinc/55/03/81/540550381.db2.gz NJUUIDWNOUPJBB-ZDUSSCGKSA-N -1 3 355.460 2.384 20 5 FEBDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056020493 540695022 /nfs/dbraw/zinc/69/50/22/540695022.db2.gz OSRRPDRUKUTGRR-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000056044021 540696681 /nfs/dbraw/zinc/69/66/81/540696681.db2.gz IPNPKKHIYRQYGC-UHFFFAOYSA-N -1 3 370.818 2.188 20 5 FEBDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC ZINC000060496999 541114821 /nfs/dbraw/zinc/11/48/21/541114821.db2.gz GTXOCVGPVAJJSN-XPTSAGLGSA-N -1 3 358.416 2.078 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000067951191 541532268 /nfs/dbraw/zinc/53/22/68/541532268.db2.gz JKXMASXEVTWSPA-SECBINFHSA-N -1 3 357.413 2.408 20 5 FEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000068520032 541603003 /nfs/dbraw/zinc/60/30/03/541603003.db2.gz IOCCVGDLRWRIEX-UHFFFAOYSA-N -1 3 353.334 2.245 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000106891623 543253161 /nfs/dbraw/zinc/25/31/61/543253161.db2.gz OVNGKHHEWZZPKE-LLVKDONJSA-N -1 3 357.407 2.029 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000122816960 543725541 /nfs/dbraw/zinc/72/55/41/543725541.db2.gz BXFQEUCLNHAODP-NSHDSACASA-N -1 3 359.429 2.139 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCn2cccn2)c1 ZINC000182525288 327778684 /nfs/dbraw/zinc/77/86/84/327778684.db2.gz VGAQWMAGFVDQQU-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM Cc1cc(C(=O)NCC(=O)N2CCCc3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000184151716 327853447 /nfs/dbraw/zinc/85/34/47/327853447.db2.gz GRSZYWYJVUXVBW-UHFFFAOYSA-N -1 3 369.377 2.318 20 5 FEBDHM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1=O ZINC000184811903 327884214 /nfs/dbraw/zinc/88/42/14/327884214.db2.gz QBYUHFQXRHCRHV-UHFFFAOYSA-N -1 3 374.378 2.125 20 5 FEBDHM CCc1cc(=O)c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000187572597 328034074 /nfs/dbraw/zinc/03/40/74/328034074.db2.gz LDYLYIKNELYVIJ-UHFFFAOYSA-N -1 3 354.322 2.352 20 5 FEBDHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189306414 328140089 /nfs/dbraw/zinc/14/00/89/328140089.db2.gz ICGDJGQGCNOLAZ-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] ZINC000189990988 328180775 /nfs/dbraw/zinc/18/07/75/328180775.db2.gz FUAMYONELLDXHS-CABCVRRESA-N -1 3 362.407 2.148 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000190005028 328181974 /nfs/dbraw/zinc/18/19/74/328181974.db2.gz DDQLFVZMEODLCL-DFBGVHRSSA-N -1 3 354.428 2.303 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000008895977 324363858 /nfs/dbraw/zinc/36/38/58/324363858.db2.gz GMQOXAYOYZBQMM-CYBMUJFWSA-N -1 3 355.441 2.238 20 5 FEBDHM Cc1nc(C)c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=O)[n-]1 ZINC000056288750 324802542 /nfs/dbraw/zinc/80/25/42/324802542.db2.gz FCEKAJQAERRWKJ-UHFFFAOYSA-N -1 3 358.398 2.275 20 5 FEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000077708020 325006553 /nfs/dbraw/zinc/00/65/53/325006553.db2.gz WVPDIRSDHOHIQJ-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM CC(C)CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000084547163 325238821 /nfs/dbraw/zinc/23/88/21/325238821.db2.gz POLMGSWGRVHWIE-UHFFFAOYSA-N -1 3 371.459 2.062 20 5 FEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119209458 326137639 /nfs/dbraw/zinc/13/76/39/326137639.db2.gz ODUJJDCKFJRYIR-TVQRCGJNSA-N -1 3 350.824 2.324 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@H](C)O ZINC000120845409 326292946 /nfs/dbraw/zinc/29/29/46/326292946.db2.gz GXRDSCZNXZJTBV-BDAKNGLRSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(C3CC3)C2)c1C ZINC000121455219 326339649 /nfs/dbraw/zinc/33/96/49/326339649.db2.gz BRTLVZGQNFSXRG-YPMHNXCESA-N -1 3 353.444 2.115 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000159920036 326946723 /nfs/dbraw/zinc/94/67/23/326946723.db2.gz YOGHPVRBSWZADV-SNVBAGLBSA-N -1 3 357.413 2.490 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000162773520 327034519 /nfs/dbraw/zinc/03/45/19/327034519.db2.gz ZRCJWDBJFJMPAG-WCQYABFASA-N -1 3 360.819 2.484 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c(C(F)(F)F)c1 ZINC000163467919 327052156 /nfs/dbraw/zinc/05/21/56/327052156.db2.gz RQAPZNYTKRQXQO-IEBDPFPHSA-N -1 3 366.317 2.212 20 5 FEBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163473139 327052317 /nfs/dbraw/zinc/05/23/17/327052317.db2.gz UMFNZSPWQNXYOE-VIFPVBQESA-N -1 3 356.322 2.053 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174607247 327338059 /nfs/dbraw/zinc/33/80/59/327338059.db2.gz XUPRTQVGXVABOB-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c1C ZINC000178623488 327596277 /nfs/dbraw/zinc/59/62/77/327596277.db2.gz AMVWYSZXUFVTGE-UHFFFAOYSA-N -1 3 368.386 2.322 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCCOC(C)C)cc1[N+](=O)[O-] ZINC000275127473 330013351 /nfs/dbraw/zinc/01/33/51/330013351.db2.gz BEJDNDOCGCCADS-UHFFFAOYSA-N -1 3 364.395 2.226 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000276536419 330162327 /nfs/dbraw/zinc/16/23/27/330162327.db2.gz WNILGXOUUVBBJL-UHFFFAOYSA-N -1 3 368.393 2.231 20 5 FEBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ncc1Br ZINC000477842371 561154361 /nfs/dbraw/zinc/15/43/61/561154361.db2.gz IVBDFYKIETZCAW-UHFFFAOYSA-N -1 3 369.131 2.114 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000479132832 561182231 /nfs/dbraw/zinc/18/22/31/561182231.db2.gz OIAOCCYMIUQJQX-NSHDSACASA-N -1 3 356.322 2.149 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSC2)c(Br)c1 ZINC000480730678 561215511 /nfs/dbraw/zinc/21/55/11/561215511.db2.gz PWIHCWIWFGCVSH-ZETCQYMHSA-N -1 3 367.246 2.141 20 5 FEBDHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000480866684 561218815 /nfs/dbraw/zinc/21/88/15/561218815.db2.gz BYXXCWAWNDQAML-LSDHHAIUSA-N -1 3 372.443 2.475 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(C)o1 ZINC000177609219 546652340 /nfs/dbraw/zinc/65/23/40/546652340.db2.gz UQCZDPDPPLAUSU-UHFFFAOYSA-N -1 3 367.383 2.273 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000177732305 546675656 /nfs/dbraw/zinc/67/56/56/546675656.db2.gz QFDWJCYLSGEWNF-HNNXBMFYSA-N -1 3 364.423 2.348 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)Nc2ccccc2)c1C ZINC000178324595 546775889 /nfs/dbraw/zinc/77/58/89/546775889.db2.gz MQSGPLGUKNCTIZ-UHFFFAOYSA-N -1 3 363.395 2.129 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000180074369 547047649 /nfs/dbraw/zinc/04/76/49/547047649.db2.gz QREDXWBLLSIRBE-OAHLLOKOSA-N -1 3 368.411 2.346 20 5 FEBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000484599305 561300837 /nfs/dbraw/zinc/30/08/37/561300837.db2.gz OAFDAXMSLOIUEA-UHFFFAOYSA-N -1 3 365.367 2.486 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000186252727 548107635 /nfs/dbraw/zinc/10/76/35/548107635.db2.gz GNRPJACESLLSJR-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193998136 548419483 /nfs/dbraw/zinc/41/94/83/548419483.db2.gz GWVDXIUXONEYJG-MRXNPFEDSA-N -1 3 370.409 2.432 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000194824226 548536362 /nfs/dbraw/zinc/53/63/62/548536362.db2.gz LJAZYMCHFROGFU-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1c(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cccc1[N+](=O)[O-] ZINC000263661620 549915571 /nfs/dbraw/zinc/91/55/71/549915571.db2.gz GUEIOXAWEVBEOA-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000493036800 561454226 /nfs/dbraw/zinc/45/42/26/561454226.db2.gz WRUWOLGYFHBLJX-UHFFFAOYSA-N -1 3 350.400 2.473 20 5 FEBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000270576324 550285209 /nfs/dbraw/zinc/28/52/09/550285209.db2.gz OQZWOLBWIVAWBM-MRVPVSSYSA-N -1 3 373.822 2.277 20 5 FEBDHM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]1 ZINC000270576324 550285210 /nfs/dbraw/zinc/28/52/10/550285210.db2.gz OQZWOLBWIVAWBM-MRVPVSSYSA-N -1 3 373.822 2.277 20 5 FEBDHM CN(CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000272078550 550420871 /nfs/dbraw/zinc/42/08/71/550420871.db2.gz AIUJVIBNLSBMBF-UHFFFAOYSA-N -1 3 355.263 2.297 20 5 FEBDHM CCc1nn(C)c(OC)c1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272196575 550428347 /nfs/dbraw/zinc/42/83/47/550428347.db2.gz WWEAJPKFAPSHCI-UHFFFAOYSA-N -1 3 368.340 2.308 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)cc1C ZINC000497782927 561508843 /nfs/dbraw/zinc/50/88/43/561508843.db2.gz OSTNJKPSVNFZPX-LLVKDONJSA-N -1 3 352.416 2.023 20 5 FEBDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])nc21 ZINC000293822875 552859641 /nfs/dbraw/zinc/85/96/41/552859641.db2.gz DHDGZMFBERHQMC-SSDOTTSWSA-N -1 3 365.371 2.010 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301098229 553622007 /nfs/dbraw/zinc/62/20/07/553622007.db2.gz RRXFAMSWIKWEGQ-UHFFFAOYSA-N -1 3 372.337 2.171 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000326076539 553779299 /nfs/dbraw/zinc/77/92/99/553779299.db2.gz IHQKZSZGNXJLNS-UHFFFAOYSA-N -1 3 356.400 2.096 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2cc(N)ccc21 ZINC000327199695 553786737 /nfs/dbraw/zinc/78/67/37/553786737.db2.gz MFYORTRXJXHLFY-AWEZNQCLSA-N -1 3 363.395 2.151 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)c1 ZINC000508098934 561751724 /nfs/dbraw/zinc/75/17/24/561751724.db2.gz UFXDEFZLLACAEC-LBPRGKRZSA-N -1 3 368.333 2.211 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000330952996 554193556 /nfs/dbraw/zinc/19/35/56/554193556.db2.gz LCNUEMGQSWWUJD-SDDRHHMPSA-N -1 3 370.427 2.484 20 5 FEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(CCN2CCCCC2)c1 ZINC000367497273 556066935 /nfs/dbraw/zinc/06/69/35/556066935.db2.gz VKSPSQPMZAWZRN-UHFFFAOYSA-N -1 3 359.386 2.235 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2)n1 ZINC000368169241 556236172 /nfs/dbraw/zinc/23/61/72/556236172.db2.gz WAAFBNWINJCMMU-UHFFFAOYSA-N -1 3 366.337 2.295 20 5 FEBDHM O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000370687847 556940006 /nfs/dbraw/zinc/94/00/06/556940006.db2.gz CFYXNVKTWUITIS-HNNXBMFYSA-N -1 3 370.409 2.337 20 5 FEBDHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371501916 557202120 /nfs/dbraw/zinc/20/21/20/557202120.db2.gz YROWBDPNPYHYNF-UHFFFAOYSA-N -1 3 367.321 2.669 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1c1cccnc1 ZINC000372402312 557462294 /nfs/dbraw/zinc/46/22/94/557462294.db2.gz ALWWQZHMZTZQFL-GUYCJALGSA-N -1 3 356.382 2.118 20 5 FEBDHM Cc1cccc(NC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000373105109 557630076 /nfs/dbraw/zinc/63/00/76/557630076.db2.gz UXSJZOMKCYXBSB-UHFFFAOYSA-N -1 3 357.370 2.116 20 5 FEBDHM C[C@@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892263 562147496 /nfs/dbraw/zinc/14/74/96/562147496.db2.gz VFMXIICNDMMRBH-BETUJISGSA-N -1 3 373.450 2.380 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccc4ncccc4c3)o[n-]2)n1 ZINC000373417572 557689920 /nfs/dbraw/zinc/68/99/20/557689920.db2.gz MSFYUIDXDZGSKJ-UHFFFAOYSA-N -1 3 364.321 2.784 20 5 FEBDHM COc1ncnc(OC)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000520322767 562153443 /nfs/dbraw/zinc/15/34/43/562153443.db2.gz CTLPMOMBMQRXRH-UHFFFAOYSA-N -1 3 370.268 2.256 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000520352137 562154216 /nfs/dbraw/zinc/15/42/16/562154216.db2.gz IRAOZKGMVPTGSY-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000520352137 562154217 /nfs/dbraw/zinc/15/42/17/562154217.db2.gz IRAOZKGMVPTGSY-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000373732810 557747347 /nfs/dbraw/zinc/74/73/47/557747347.db2.gz HQSXINUIRFXOTP-UHFFFAOYSA-N -1 3 365.345 2.340 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(F)cc2c1OCOC2 ZINC000522621201 562200517 /nfs/dbraw/zinc/20/05/17/562200517.db2.gz OOSKAOISBYCCOW-UHFFFAOYSA-N -1 3 368.342 2.079 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000408376163 558671927 /nfs/dbraw/zinc/67/19/27/558671927.db2.gz VWBGGVVNDMARAG-SWLSCSKDSA-N -1 3 372.468 2.236 20 5 FEBDHM COc1ccc([O-])c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000524713824 562232868 /nfs/dbraw/zinc/23/28/68/562232868.db2.gz MSJZKSKXAXWMFC-NSHDSACASA-N -1 3 358.354 2.031 20 5 FEBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000525183614 562242130 /nfs/dbraw/zinc/24/21/30/562242130.db2.gz XCOHRQIBNRKTJM-ZDUSSCGKSA-N -1 3 370.427 2.385 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(F)(F)F ZINC000414455363 559164892 /nfs/dbraw/zinc/16/48/92/559164892.db2.gz POIDSYKPGMPHRP-GFCCVEGCSA-N -1 3 370.349 2.457 20 5 FEBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416407302 559310581 /nfs/dbraw/zinc/31/05/81/559310581.db2.gz JKQFYXDPCISLBD-JTQLQIEISA-N -1 3 370.349 2.443 20 5 FEBDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416407303 559310663 /nfs/dbraw/zinc/31/06/63/559310663.db2.gz JKQFYXDPCISLBD-SNVBAGLBSA-N -1 3 370.349 2.443 20 5 FEBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416464873 559315141 /nfs/dbraw/zinc/31/51/41/559315141.db2.gz XVYRKBJLSLTGBQ-GZMMTYOYSA-N -1 3 370.349 2.299 20 5 FEBDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416464875 559315150 /nfs/dbraw/zinc/31/51/50/559315150.db2.gz XVYRKBJLSLTGBQ-KWQFWETISA-N -1 3 370.349 2.299 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416501941 559318118 /nfs/dbraw/zinc/31/81/18/559318118.db2.gz NSJVBUXGYMSWKF-UHFFFAOYSA-N -1 3 350.343 2.317 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC000416518328 559319344 /nfs/dbraw/zinc/31/93/44/559319344.db2.gz CMZXRACBEXGFNF-UHFFFAOYSA-N -1 3 368.415 2.371 20 5 FEBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000416570335 559322584 /nfs/dbraw/zinc/32/25/84/559322584.db2.gz ZVDAHGVFGSPDAG-CHWSQXEVSA-N -1 3 360.819 2.484 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1 ZINC000416664227 559328507 /nfs/dbraw/zinc/32/85/07/559328507.db2.gz SINXRXCVMFLTBY-CYBMUJFWSA-N -1 3 372.443 2.213 20 5 FEBDHM CCc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000420467430 559489126 /nfs/dbraw/zinc/48/91/26/559489126.db2.gz SIMVMMZIHQAOEN-CQSZACIVSA-N -1 3 367.402 2.275 20 5 FEBDHM CCOC(=O)c1sc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])nc1C ZINC000427106556 559748008 /nfs/dbraw/zinc/74/80/08/559748008.db2.gz GWNFRMUTRABDJG-UHFFFAOYSA-N -1 3 353.360 2.005 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000427110665 559748102 /nfs/dbraw/zinc/74/81/02/559748102.db2.gz ZWPQITFDSZJFLB-UHFFFAOYSA-N -1 3 368.342 2.398 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436650105 559947822 /nfs/dbraw/zinc/94/78/22/559947822.db2.gz UVAUBFCXLOTJAK-CQSZACIVSA-N -1 3 357.366 2.119 20 5 FEBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436751814 559950904 /nfs/dbraw/zinc/95/09/04/559950904.db2.gz VEERQALTKWBSFM-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])Cc2ccccc2C1 ZINC000436773822 559951422 /nfs/dbraw/zinc/95/14/22/559951422.db2.gz UBZAPPNGMMNFOF-UHFFFAOYSA-N -1 3 355.394 2.129 20 5 FEBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436861913 559954734 /nfs/dbraw/zinc/95/47/34/559954734.db2.gz MFQMDKUELRZROM-UHFFFAOYSA-N -1 3 365.455 2.392 20 5 FEBDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443384269 560082735 /nfs/dbraw/zinc/08/27/35/560082735.db2.gz NIUAUJICSMQMON-SNVBAGLBSA-N -1 3 354.359 2.349 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000443494507 560085484 /nfs/dbraw/zinc/08/54/84/560085484.db2.gz WFQXZCXSYPZCBC-JSGCOSHPSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000443510466 560085958 /nfs/dbraw/zinc/08/59/58/560085958.db2.gz NTQVTJKCMVIMSI-JSGCOSHPSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000445755716 560134798 /nfs/dbraw/zinc/13/47/98/560134798.db2.gz IUVAXCQBXNTLFI-MRXNPFEDSA-N -1 3 372.443 2.213 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000448098338 560177856 /nfs/dbraw/zinc/17/78/56/560177856.db2.gz VHVJNHCAXRNPRV-UHFFFAOYSA-N -1 3 367.408 2.336 20 5 FEBDHM NC(=O)c1cnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s1 ZINC000448127046 560178361 /nfs/dbraw/zinc/17/83/61/560178361.db2.gz FRMGAMPUDVDMGV-UHFFFAOYSA-N -1 3 360.273 2.421 20 5 FEBDHM CC(C)C[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451648685 560319308 /nfs/dbraw/zinc/31/93/08/560319308.db2.gz GCERYJQSRCLJLE-LBPRGKRZSA-N -1 3 361.489 2.445 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000451704307 560323219 /nfs/dbraw/zinc/32/32/19/560323219.db2.gz CKQDWLXNSNQULR-GXSJLCMTSA-N -1 3 372.777 2.240 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451841827 560331975 /nfs/dbraw/zinc/33/19/75/560331975.db2.gz UDSBWHIHJKFOKD-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000452027273 560346466 /nfs/dbraw/zinc/34/64/66/560346466.db2.gz DXLNGZLYQQLDNP-UHFFFAOYSA-N -1 3 371.346 2.086 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c(C(F)(F)F)c1 ZINC000452044513 560347544 /nfs/dbraw/zinc/34/75/44/560347544.db2.gz JAPULRGJKRWYOR-LLVKDONJSA-N -1 3 368.333 2.053 20 5 FEBDHM Cn1[n-]c(=NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000455211227 560474138 /nfs/dbraw/zinc/47/41/38/560474138.db2.gz PFHFLXGQXCYZLK-UHFFFAOYSA-N -1 3 369.328 2.987 20 5 FEBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000464642009 560847366 /nfs/dbraw/zinc/84/73/66/560847366.db2.gz JIDHJAVTQLZBGG-UHFFFAOYSA-N -1 3 361.701 2.272 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466523316 560888817 /nfs/dbraw/zinc/88/88/17/560888817.db2.gz VWHFYVUXBPCWMA-ZDUSSCGKSA-N -1 3 352.343 2.287 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466521588 560888854 /nfs/dbraw/zinc/88/88/54/560888854.db2.gz YQVJVOPCVBJXLG-GFCCVEGCSA-N -1 3 368.342 2.155 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c(F)c1 ZINC000466526842 560889013 /nfs/dbraw/zinc/88/90/13/560889013.db2.gz DHYMVVOUOXXHRV-GFCCVEGCSA-N -1 3 356.306 2.285 20 5 FEBDHM COC(=O)c1cc(NC(=O)NCc2ncccc2[O-])c(C)c([N+](=O)[O-])c1 ZINC000470115321 560974678 /nfs/dbraw/zinc/97/46/78/560974678.db2.gz YJPDFIHKIYNAFY-UHFFFAOYSA-N -1 3 360.326 2.112 20 5 FEBDHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000470757278 560988886 /nfs/dbraw/zinc/98/88/86/560988886.db2.gz RPJBHLQRBRVASD-SECBINFHSA-N -1 3 364.807 2.114 20 5 FEBDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000474771232 561082460 /nfs/dbraw/zinc/08/24/60/561082460.db2.gz BOENYRXMSMETMN-UHFFFAOYSA-N -1 3 361.310 2.057 20 5 FEBDHM CCC[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000476055504 561110421 /nfs/dbraw/zinc/11/04/21/561110421.db2.gz WMHBAWJVWWRDSO-MRXNPFEDSA-N -1 3 371.459 2.206 20 5 FEBDHM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000476893549 561131335 /nfs/dbraw/zinc/13/13/35/561131335.db2.gz MBUMLESKOWDEOJ-UHFFFAOYSA-N -1 3 359.386 2.324 20 5 FEBDHM Cc1ncc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(=O)[n-]1 ZINC000541457095 562612266 /nfs/dbraw/zinc/61/22/66/562612266.db2.gz MGWASJONJPEQLA-UHFFFAOYSA-N -1 3 374.400 2.275 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822491804 599047058 /nfs/dbraw/zinc/04/70/58/599047058.db2.gz GHNWFBXSPKVDPY-SECBINFHSA-N -1 3 356.390 2.168 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822491804 599047060 /nfs/dbraw/zinc/04/70/60/599047060.db2.gz GHNWFBXSPKVDPY-SECBINFHSA-N -1 3 356.390 2.168 20 5 FEBDHM NC(=O)c1ccc(CSc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737760659 599109913 /nfs/dbraw/zinc/10/99/13/599109913.db2.gz PUYYBZRDMJUJBG-UHFFFAOYSA-N -1 3 356.367 2.166 20 5 FEBDHM NC(=O)c1ccc(CSc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737760659 599109916 /nfs/dbraw/zinc/10/99/16/599109916.db2.gz PUYYBZRDMJUJBG-UHFFFAOYSA-N -1 3 356.367 2.166 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823647892 599186762 /nfs/dbraw/zinc/18/67/62/599186762.db2.gz PMMAMPDDRFBXDJ-UHFFFAOYSA-N -1 3 351.370 2.102 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823647892 599186765 /nfs/dbraw/zinc/18/67/65/599186765.db2.gz PMMAMPDDRFBXDJ-UHFFFAOYSA-N -1 3 351.370 2.102 20 5 FEBDHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737234282 598257818 /nfs/dbraw/zinc/25/78/18/598257818.db2.gz OFCCBXMICVVRFM-SNVBAGLBSA-N -1 3 367.369 2.157 20 5 FEBDHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737234282 598257820 /nfs/dbraw/zinc/25/78/20/598257820.db2.gz OFCCBXMICVVRFM-SNVBAGLBSA-N -1 3 367.369 2.157 20 5 FEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)cc2F)nc2sccn21 ZINC000738357597 598311009 /nfs/dbraw/zinc/31/10/09/598311009.db2.gz GETVINZSCGQPDA-UHFFFAOYSA-N -1 3 360.334 2.235 20 5 FEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nn[n-]n3)cc2F)nc2sccn21 ZINC000738357597 598311010 /nfs/dbraw/zinc/31/10/10/598311010.db2.gz GETVINZSCGQPDA-UHFFFAOYSA-N -1 3 360.334 2.235 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738368247 598458057 /nfs/dbraw/zinc/45/80/57/598458057.db2.gz AZGVXMJUMAFLKE-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738368247 598458058 /nfs/dbraw/zinc/45/80/58/598458058.db2.gz AZGVXMJUMAFLKE-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000738359383 598458176 /nfs/dbraw/zinc/45/81/76/598458176.db2.gz QKYUGUMJWSIGJH-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000738359383 598458177 /nfs/dbraw/zinc/45/81/77/598458177.db2.gz QKYUGUMJWSIGJH-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC(c3nccs3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368661 598501423 /nfs/dbraw/zinc/50/14/23/598501423.db2.gz HSDRGUBTFRIECQ-UHFFFAOYSA-N -1 3 358.387 2.010 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC(c3nccs3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368661 598501424 /nfs/dbraw/zinc/50/14/24/598501424.db2.gz HSDRGUBTFRIECQ-UHFFFAOYSA-N -1 3 358.387 2.010 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2nccn2CC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738370892 598523376 /nfs/dbraw/zinc/52/33/76/598523376.db2.gz RPXISCXBLJFMED-UHFFFAOYSA-N -1 3 368.279 2.146 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2nccn2CC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738370892 598523378 /nfs/dbraw/zinc/52/33/78/598523378.db2.gz RPXISCXBLJFMED-UHFFFAOYSA-N -1 3 368.279 2.146 20 5 FEBDHM CN(CC(=O)N(C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736780802 598675335 /nfs/dbraw/zinc/67/53/35/598675335.db2.gz WDTGIKVXEOUCEM-UHFFFAOYSA-N -1 3 373.417 2.002 20 5 FEBDHM CN(CC(=O)N(C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736780802 598675336 /nfs/dbraw/zinc/67/53/36/598675336.db2.gz WDTGIKVXEOUCEM-UHFFFAOYSA-N -1 3 373.417 2.002 20 5 FEBDHM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333469 599522192 /nfs/dbraw/zinc/52/21/92/599522192.db2.gz CTIRAPNMGNOTQG-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333469 599522193 /nfs/dbraw/zinc/52/21/93/599522193.db2.gz CTIRAPNMGNOTQG-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647877 599580921 /nfs/dbraw/zinc/58/09/21/599580921.db2.gz OWNLPBNZXIXVLJ-ZDUSSCGKSA-N -1 3 351.370 2.239 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647877 599580923 /nfs/dbraw/zinc/58/09/23/599580923.db2.gz OWNLPBNZXIXVLJ-ZDUSSCGKSA-N -1 3 351.370 2.239 20 5 FEBDHM O=[N+]([O-])c1ccccc1CN(Cc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000826499903 607524746 /nfs/dbraw/zinc/52/47/46/607524746.db2.gz DHJYRNPUPYGURP-UHFFFAOYSA-N -1 3 351.370 2.335 20 5 FEBDHM O=[N+]([O-])c1ccccc1CN(Cc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000826499903 607524748 /nfs/dbraw/zinc/52/47/48/607524748.db2.gz DHJYRNPUPYGURP-UHFFFAOYSA-N -1 3 351.370 2.335 20 5 FEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823043937 606130303 /nfs/dbraw/zinc/13/03/03/606130303.db2.gz LTJYTAWPDRPTAZ-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823043937 606130304 /nfs/dbraw/zinc/13/03/04/606130304.db2.gz LTJYTAWPDRPTAZ-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3cccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644240 606449530 /nfs/dbraw/zinc/44/95/30/606449530.db2.gz HEALNJJXCAAKHY-UHFFFAOYSA-N -1 3 362.353 2.373 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644240 606449533 /nfs/dbraw/zinc/44/95/33/606449533.db2.gz HEALNJJXCAAKHY-UHFFFAOYSA-N -1 3 362.353 2.373 20 5 FEBDHM CN(Cc1nccn1C(F)F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821618211 606644830 /nfs/dbraw/zinc/64/48/30/606644830.db2.gz VRXHEXQQEBBDIY-UHFFFAOYSA-N -1 3 350.289 2.003 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822983920 606683673 /nfs/dbraw/zinc/68/36/73/606683673.db2.gz XRXOITIIAAMDJM-UHFFFAOYSA-N -1 3 370.344 2.163 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822983920 606683674 /nfs/dbraw/zinc/68/36/74/606683674.db2.gz XRXOITIIAAMDJM-UHFFFAOYSA-N -1 3 370.344 2.163 20 5 FEBDHM C[C@@H](O)C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473710 607046239 /nfs/dbraw/zinc/04/62/39/607046239.db2.gz JYCQCDUIDHKINV-YPMHNXCESA-N -1 3 369.385 2.137 20 5 FEBDHM C[C@@H](O)C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473710 607046240 /nfs/dbraw/zinc/04/62/40/607046240.db2.gz JYCQCDUIDHKINV-YPMHNXCESA-N -1 3 369.385 2.137 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823417437 607083275 /nfs/dbraw/zinc/08/32/75/607083275.db2.gz AMTVGDIWQQZSMD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823417437 607083277 /nfs/dbraw/zinc/08/32/77/607083277.db2.gz AMTVGDIWQQZSMD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cnn(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000823650796 607175840 /nfs/dbraw/zinc/17/58/40/607175840.db2.gz AVNBDVCMTGQMMT-UHFFFAOYSA-N -1 3 368.279 2.102 20 5 FEBDHM O=[N+]([O-])c1cnn(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000823650796 607175841 /nfs/dbraw/zinc/17/58/41/607175841.db2.gz AVNBDVCMTGQMMT-UHFFFAOYSA-N -1 3 368.279 2.102 20 5 FEBDHM Cc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291740 607864485 /nfs/dbraw/zinc/86/44/85/607864485.db2.gz UKZPPBQQHSIERK-LLVKDONJSA-N -1 3 369.337 2.456 20 5 FEBDHM Cc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291740 607864486 /nfs/dbraw/zinc/86/44/86/607864486.db2.gz UKZPPBQQHSIERK-LLVKDONJSA-N -1 3 369.337 2.456 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCc2cnc(C3CC3)nc2)c(-c2nnn[n-]2)c1 ZINC000826498658 607904110 /nfs/dbraw/zinc/90/41/10/607904110.db2.gz DOXQQJBIFKEWFU-UHFFFAOYSA-N -1 3 352.358 2.097 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCc2cnc(C3CC3)nc2)c(-c2nn[n-]n2)c1 ZINC000826498658 607904111 /nfs/dbraw/zinc/90/41/11/607904111.db2.gz DOXQQJBIFKEWFU-UHFFFAOYSA-N -1 3 352.358 2.097 20 5 FEBDHM Cc1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cccc1[N+](=O)[O-] ZINC000826234189 607950177 /nfs/dbraw/zinc/95/01/77/607950177.db2.gz LMYVTGAGGIUWFV-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cccc1[N+](=O)[O-] ZINC000826234189 607950178 /nfs/dbraw/zinc/95/01/78/607950178.db2.gz LMYVTGAGGIUWFV-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM O=C(CC[C@@H]1CCOC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405822 608163592 /nfs/dbraw/zinc/16/35/92/608163592.db2.gz VIMUYXCNVIROFV-MRVPVSSYSA-N -1 3 366.765 2.184 20 5 FEBDHM O=C(CC[C@@H]1CCOC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405822 608163594 /nfs/dbraw/zinc/16/35/94/608163594.db2.gz VIMUYXCNVIROFV-MRVPVSSYSA-N -1 3 366.765 2.184 20 5 FEBDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(N)c([N+](=O)[O-])c1 ZINC000826261386 608446173 /nfs/dbraw/zinc/44/61/73/608446173.db2.gz CPJFHGBHNHDXBE-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(N)c([N+](=O)[O-])c1 ZINC000826261386 608446175 /nfs/dbraw/zinc/44/61/75/608446175.db2.gz CPJFHGBHNHDXBE-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000826176167 609412773 /nfs/dbraw/zinc/41/27/73/609412773.db2.gz FAATXJQVQINUFD-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000826176167 609412774 /nfs/dbraw/zinc/41/27/74/609412774.db2.gz FAATXJQVQINUFD-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000826184997 609499818 /nfs/dbraw/zinc/49/98/18/609499818.db2.gz UWBAHKYOPVHLIL-UHFFFAOYSA-N -1 3 365.353 2.490 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000826184997 609499819 /nfs/dbraw/zinc/49/98/19/609499819.db2.gz UWBAHKYOPVHLIL-UHFFFAOYSA-N -1 3 365.353 2.490 20 5 FEBDHM COc1ccc2c(c1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000826212193 609590609 /nfs/dbraw/zinc/59/06/09/609590609.db2.gz JPRXIZNKZLDCAN-GFCCVEGCSA-N -1 3 367.369 2.148 20 5 FEBDHM COc1ccc2c(c1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000826212193 609590611 /nfs/dbraw/zinc/59/06/11/609590611.db2.gz JPRXIZNKZLDCAN-GFCCVEGCSA-N -1 3 367.369 2.148 20 5 FEBDHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571333882 670857581 /nfs/dbraw/zinc/85/75/81/670857581.db2.gz QICGAJWJWCVKOA-BDJLRTHQSA-N -1 3 368.386 2.275 20 5 FEBDHM COc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nn1C ZINC000577126888 671418697 /nfs/dbraw/zinc/41/86/97/671418697.db2.gz MHSCCLTYYXSDFY-UHFFFAOYSA-N -1 3 361.177 2.413 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]N=c1nc[nH]c2ccsc21 ZINC000165455251 672317109 /nfs/dbraw/zinc/31/71/09/672317109.db2.gz QKFTVXNOGLYAQR-UHFFFAOYSA-N -1 3 365.396 2.213 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000611109979 676018671 /nfs/dbraw/zinc/01/86/71/676018671.db2.gz NKBIAXOLQKBRSL-VIFPVBQESA-N -1 3 368.333 2.053 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589107294 672506247 /nfs/dbraw/zinc/50/62/47/672506247.db2.gz RAWGJBCQDFXGSS-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000611199270 676024562 /nfs/dbraw/zinc/02/45/62/676024562.db2.gz MKWVJHUXVPDJPA-UHFFFAOYSA-N -1 3 350.385 2.458 20 5 FEBDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000593545661 672939181 /nfs/dbraw/zinc/93/91/81/672939181.db2.gz XKKUEEQNDUNRLS-UHFFFAOYSA-N -1 3 356.429 2.222 20 5 FEBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000593554049 672941375 /nfs/dbraw/zinc/94/13/75/672941375.db2.gz XJTVYMIXTSQDLI-ZDUSSCGKSA-N -1 3 356.429 2.358 20 5 FEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000593553786 672941392 /nfs/dbraw/zinc/94/13/92/672941392.db2.gz PMOIJMFTEGTDQJ-CHWSQXEVSA-N -1 3 355.416 2.006 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)nc1 ZINC000593590391 672952402 /nfs/dbraw/zinc/95/24/02/672952402.db2.gz HXVCCBKVLOFBMZ-AULYBMBSSA-N -1 3 351.359 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594484374 673088450 /nfs/dbraw/zinc/08/84/50/673088450.db2.gz QJUOVQVGWIICJW-KGLIPLIRSA-N -1 3 357.407 2.029 20 5 FEBDHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594818068 673151478 /nfs/dbraw/zinc/15/14/78/673151478.db2.gz SIUSVYGTRHDZNA-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM O=c1[n-]ccc(N2CCN(c3ncnc4ccsc43)CC2)c1[N+](=O)[O-] ZINC000596136529 673362431 /nfs/dbraw/zinc/36/24/31/673362431.db2.gz JRMHDIHKMZOGMA-UHFFFAOYSA-N -1 3 358.383 2.027 20 5 FEBDHM Cc1ncc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000542385070 673578707 /nfs/dbraw/zinc/57/87/07/673578707.db2.gz IBOVIDWXNBCGCO-MRVPVSSYSA-N -1 3 366.761 2.136 20 5 FEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598624219 673591895 /nfs/dbraw/zinc/59/18/95/673591895.db2.gz GLLWWTKFUQAGFF-VIFPVBQESA-N -1 3 357.338 2.467 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000545362160 673763085 /nfs/dbraw/zinc/76/30/85/673763085.db2.gz IMAPCPXUAGGQJI-ZDUSSCGKSA-N -1 3 354.359 2.400 20 5 FEBDHM CCN(OC)C(=O)C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826756494 675703798 /nfs/dbraw/zinc/70/37/98/675703798.db2.gz RTAYHQLPYFUNRI-UHFFFAOYSA-N -1 3 366.252 2.344 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[n-]1 ZINC000618919362 676356675 /nfs/dbraw/zinc/35/66/75/676356675.db2.gz JBPIGWCPKVOYRC-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c[n-]1 ZINC000618919362 676356678 /nfs/dbraw/zinc/35/66/78/676356678.db2.gz JBPIGWCPKVOYRC-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000770512404 681018548 /nfs/dbraw/zinc/01/85/48/681018548.db2.gz LMWKLBGWNDBORS-MFKMUULPSA-N -1 3 358.416 2.163 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581958 681582652 /nfs/dbraw/zinc/58/26/52/681582652.db2.gz TUIIBIOXQXPHON-VIFPVBQESA-N -1 3 354.313 2.486 20 5 FEBDHM C[C@@](O)(C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000848583948 681583399 /nfs/dbraw/zinc/58/33/99/681583399.db2.gz JOYYGKCBYMEKMS-CQSZACIVSA-N -1 3 356.281 2.183 20 5 FEBDHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849420112 681726038 /nfs/dbraw/zinc/72/60/38/681726038.db2.gz RBWHUWFQJQPYMV-LLVKDONJSA-N -1 3 361.851 2.399 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000783422047 682143339 /nfs/dbraw/zinc/14/33/39/682143339.db2.gz XFQQGQIAYXTBGG-UHFFFAOYSA-N -1 3 364.741 2.427 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000785341781 682288973 /nfs/dbraw/zinc/28/89/73/682288973.db2.gz BPUNCHOEGOZFQT-BZBKMWRSSA-N -1 3 361.217 2.434 20 5 FEBDHM COc1ccc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2F)c([N+](=O)[O-])c1 ZINC000918147022 685537457 /nfs/dbraw/zinc/53/74/57/685537457.db2.gz FHHSLYKQJCFANM-UHFFFAOYSA-N -1 3 368.342 2.398 20 5 FEBDHM CC(C)(C)OC(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853245407 682397901 /nfs/dbraw/zinc/39/79/01/682397901.db2.gz YIJCPDOMOHMAQV-UHFFFAOYSA-N -1 3 352.391 2.437 20 5 FEBDHM O=c1[n-]ccc(N2CCC(Oc3cncc(Cl)n3)CC2)c1[N+](=O)[O-] ZINC000853485180 682421677 /nfs/dbraw/zinc/42/16/77/682421677.db2.gz CMWKOWQIBQEGBD-UHFFFAOYSA-N -1 3 351.750 2.187 20 5 FEBDHM O=C([N-]CCO[C@H]1CC1(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853835907 682476823 /nfs/dbraw/zinc/47/68/23/682476823.db2.gz YKAGEZLCTQVJNF-JTQLQIEISA-N -1 3 352.240 2.107 20 5 FEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000795071478 683014150 /nfs/dbraw/zinc/01/41/50/683014150.db2.gz WYOODHJYQMKZAX-UHFFFAOYSA-N -1 3 360.335 2.135 20 5 FEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224176 683323444 /nfs/dbraw/zinc/32/34/44/683323444.db2.gz HQHRDPQFWYTGIO-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224704 683324096 /nfs/dbraw/zinc/32/40/96/683324096.db2.gz RBUSIOWTLOKGIC-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC23CCOCC3)c([N+](=O)[O-])s1 ZINC000867776348 684380734 /nfs/dbraw/zinc/38/07/34/684380734.db2.gz MGEWNZNJEBETRU-NSHDSACASA-N -1 3 360.457 2.450 20 5 FEBDHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)oc1C ZINC000046803348 540271118 /nfs/dbraw/zinc/27/11/18/540271118.db2.gz QESNQPBMFCXEDX-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000046811347 540271719 /nfs/dbraw/zinc/27/17/19/540271719.db2.gz OCDRMUWLMZHFMB-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM COCc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056066930 540698532 /nfs/dbraw/zinc/69/85/32/540698532.db2.gz NHYYVXLBFLPWEU-UHFFFAOYSA-N -1 3 354.359 2.359 20 5 FEBDHM COc1ccc(OCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000057023666 540763685 /nfs/dbraw/zinc/76/36/85/540763685.db2.gz DXDFSJAPOXLOAJ-UHFFFAOYSA-N -1 3 366.395 2.351 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000066568746 541337494 /nfs/dbraw/zinc/33/74/94/541337494.db2.gz ASEUGGGDHXRJJF-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000067951025 541532167 /nfs/dbraw/zinc/53/21/67/541532167.db2.gz YKBIHKSDBZIJGC-SECBINFHSA-N -1 3 357.413 2.408 20 5 FEBDHM CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000079637024 542532775 /nfs/dbraw/zinc/53/27/75/542532775.db2.gz MQGOWSKGSLABPM-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000106890562 543253056 /nfs/dbraw/zinc/25/30/56/543253056.db2.gz SUPSMLBONOGCTQ-UHFFFAOYSA-N -1 3 358.322 2.230 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC3CC3)C2)c(Cl)c1 ZINC000108403687 543288985 /nfs/dbraw/zinc/28/89/85/543288985.db2.gz YHVKLNNYEAADPK-NSHDSACASA-N -1 3 359.835 2.011 20 5 FEBDHM Cc1nn(CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)c(C)c1[N+](=O)[O-] ZINC000109625772 543329449 /nfs/dbraw/zinc/32/94/49/543329449.db2.gz KNOGWMGLNVMXFW-UHFFFAOYSA-N -1 3 373.348 2.361 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000111348516 543398204 /nfs/dbraw/zinc/39/82/04/543398204.db2.gz CZQNKPHIPJMCDM-AWEZNQCLSA-N -1 3 363.439 2.394 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1 ZINC000112090840 543429991 /nfs/dbraw/zinc/42/99/91/543429991.db2.gz XHQSQCAKXWXDKD-JTQLQIEISA-N -1 3 367.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNC/C=C/c1ccccc1 ZINC000116922399 543619955 /nfs/dbraw/zinc/61/99/55/543619955.db2.gz YABVVYGRTHJQDN-RMKNXTFCSA-N -1 3 361.423 2.176 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000124057027 543798640 /nfs/dbraw/zinc/79/86/40/543798640.db2.gz WYXCQZYGSYXCBA-UWVGGRQHSA-N -1 3 359.835 2.152 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c([N+](=O)[O-])c1 ZINC000125532624 543887430 /nfs/dbraw/zinc/88/74/30/543887430.db2.gz LFKWSAGSDJJMDI-UHFFFAOYSA-N -1 3 371.802 2.309 20 5 FEBDHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126104430 543918155 /nfs/dbraw/zinc/91/81/55/543918155.db2.gz FTCJOCRINNAIBB-UHFFFAOYSA-N -1 3 365.345 2.283 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000129238780 544099655 /nfs/dbraw/zinc/09/96/55/544099655.db2.gz PPCPFHUYYROFCW-CJNGLKHVSA-N -1 3 364.423 2.174 20 5 FEBDHM CC(C)CCn1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000129374692 544108281 /nfs/dbraw/zinc/10/82/81/544108281.db2.gz WHGFXZBAMCXPGF-UHFFFAOYSA-N -1 3 370.373 2.270 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000131360218 544187558 /nfs/dbraw/zinc/18/75/58/544187558.db2.gz NHKFJACTXNRQHT-MRXNPFEDSA-N -1 3 350.396 2.402 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190621333 328220059 /nfs/dbraw/zinc/22/00/59/328220059.db2.gz INAHTEGDRRYZJB-CKYFFXLPSA-N -1 3 360.819 2.402 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000102888526 325500744 /nfs/dbraw/zinc/50/07/44/325500744.db2.gz VOJKTQFEFNTKIP-ZDUSSCGKSA-N -1 3 356.787 2.260 20 5 FEBDHM Cc1ccc(CNCC[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000122236841 326389284 /nfs/dbraw/zinc/38/92/84/326389284.db2.gz FGDPGZYKTURBDA-UHFFFAOYSA-N -1 3 355.441 2.033 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000122910138 326413721 /nfs/dbraw/zinc/41/37/21/326413721.db2.gz UXOCJNSHKRYENL-MRVPVSSYSA-N -1 3 367.412 2.047 20 5 FEBDHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)[n-]1 ZINC000126111395 326483350 /nfs/dbraw/zinc/48/33/50/326483350.db2.gz RORBNUALEKETHY-UHFFFAOYSA-N -1 3 356.382 2.029 20 5 FEBDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000157152904 326856518 /nfs/dbraw/zinc/85/65/18/326856518.db2.gz CNKJYYCWHWZVGI-SECBINFHSA-N -1 3 371.444 2.185 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c(Cl)c1 ZINC000161052328 326986319 /nfs/dbraw/zinc/98/63/19/326986319.db2.gz NGANSKIPVJZTJY-CYBMUJFWSA-N -1 3 370.814 2.130 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccn2)c(C(F)(F)F)c1 ZINC000162676694 327031774 /nfs/dbraw/zinc/03/17/74/327031774.db2.gz XYQGKLHXCFTDJZ-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000162773285 327034553 /nfs/dbraw/zinc/03/45/53/327034553.db2.gz ZRCJWDBJFJMPAG-AAEUAGOBSA-N -1 3 360.819 2.484 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000162781984 327034603 /nfs/dbraw/zinc/03/46/03/327034603.db2.gz YZZZDPCPWPWTTL-LDYMZIIASA-N -1 3 368.333 2.053 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000162781860 327034714 /nfs/dbraw/zinc/03/47/14/327034714.db2.gz YZZZDPCPWPWTTL-GZMMTYOYSA-N -1 3 368.333 2.053 20 5 FEBDHM Cn1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000163413281 327050957 /nfs/dbraw/zinc/05/09/57/327050957.db2.gz ROMNDWZIXSOFEK-UHFFFAOYSA-N -1 3 363.317 2.431 20 5 FEBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173309099 327248806 /nfs/dbraw/zinc/24/88/06/327248806.db2.gz KCBMXOLGCLKOPK-UHFFFAOYSA-N -1 3 352.416 2.167 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000173867806 327290155 /nfs/dbraw/zinc/29/01/55/327290155.db2.gz XVADLXCXFVYDEN-CYBMUJFWSA-N -1 3 371.434 2.277 20 5 FEBDHM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000175272154 327383630 /nfs/dbraw/zinc/38/36/30/327383630.db2.gz JJJUPJPBRLOUFI-UKRRQHHQSA-N -1 3 370.409 2.478 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000175773879 327411942 /nfs/dbraw/zinc/41/19/42/327411942.db2.gz HKOFDQOUOCXKGN-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000269117645 329487344 /nfs/dbraw/zinc/48/73/44/329487344.db2.gz GAYSWDWYSMNDRR-WFASDCNBSA-N -1 3 372.468 2.236 20 5 FEBDHM CCOCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000269751512 329545783 /nfs/dbraw/zinc/54/57/83/329545783.db2.gz CHBDCYJIMQAVEU-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000276100448 330119320 /nfs/dbraw/zinc/11/93/20/330119320.db2.gz SMXMCGSFGFFWRW-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000554661889 674328657 /nfs/dbraw/zinc/32/86/57/674328657.db2.gz XYQVPVDBRLTTDY-UHFFFAOYSA-N -1 3 356.322 2.470 20 5 FEBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268876051 518118112 /nfs/dbraw/zinc/11/81/12/518118112.db2.gz QOMIBRQVPSVLFG-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000156713057 545650473 /nfs/dbraw/zinc/65/04/73/545650473.db2.gz JENQSIGESTUELA-HIFRSBDPSA-N -1 3 364.423 2.428 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)[n-]c21 ZINC000158435689 545861043 /nfs/dbraw/zinc/86/10/43/545861043.db2.gz OLFYFLDFCZRZDR-UHFFFAOYSA-N -1 3 354.322 2.439 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000158435689 545861049 /nfs/dbraw/zinc/86/10/49/545861049.db2.gz OLFYFLDFCZRZDR-UHFFFAOYSA-N -1 3 354.322 2.439 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1c(C)noc1C ZINC000159834343 545985516 /nfs/dbraw/zinc/98/55/16/545985516.db2.gz XMQRWVCVBHZJNQ-SECBINFHSA-N -1 3 369.399 2.118 20 5 FEBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160315346 546029879 /nfs/dbraw/zinc/02/98/79/546029879.db2.gz DXUZYBKYUUSZHT-VIFPVBQESA-N -1 3 367.221 2.061 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(F)(F)F ZINC000479158820 561183207 /nfs/dbraw/zinc/18/32/07/561183207.db2.gz MMCOQWVEGMPSHC-LBPRGKRZSA-N -1 3 370.349 2.457 20 5 FEBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(=O)[nH]1 ZINC000480226364 561205358 /nfs/dbraw/zinc/20/53/58/561205358.db2.gz LCUQYTCGPBAWMW-UHFFFAOYSA-N -1 3 360.351 2.353 20 5 FEBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1OC ZINC000480873639 561219100 /nfs/dbraw/zinc/21/91/00/561219100.db2.gz LEELMWYYQMVLPW-HUUCEWRRSA-N -1 3 372.443 2.475 20 5 FEBDHM C[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000183297913 547635081 /nfs/dbraw/zinc/63/50/81/547635081.db2.gz AVBPKGKVVHBGRD-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM Cn1ncc2c1ncc(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c2[O-] ZINC000186017457 548073954 /nfs/dbraw/zinc/07/39/54/548073954.db2.gz UEZPSJRLDACFKU-UHFFFAOYSA-N -1 3 361.745 2.166 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1nc(C)cs1 ZINC000186485488 548141593 /nfs/dbraw/zinc/14/15/93/548141593.db2.gz YODAKEGDEVJCEK-VIFPVBQESA-N -1 3 371.440 2.450 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000186677806 548173307 /nfs/dbraw/zinc/17/33/07/548173307.db2.gz YKLQVMONCRBWQR-VIFPVBQESA-N -1 3 357.413 2.142 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC000190086163 548317248 /nfs/dbraw/zinc/31/72/48/548317248.db2.gz QSYQTBDYGPCLPQ-WQVCFCJDSA-N -1 3 366.439 2.448 20 5 FEBDHM O=C(Nc1ccn(Cc2ccncc2)n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000195398812 548634077 /nfs/dbraw/zinc/63/40/77/548634077.db2.gz VMXCWDPITSSERR-UHFFFAOYSA-N -1 3 363.337 2.363 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000246574146 549165092 /nfs/dbraw/zinc/16/50/92/549165092.db2.gz IHTROHWUZGHLKF-RFIQDPTOSA-N -1 3 374.484 2.261 20 5 FEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000270513971 550279075 /nfs/dbraw/zinc/27/90/75/550279075.db2.gz RLFXFPOUXGITAE-UHFFFAOYSA-N -1 3 371.393 2.409 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3N)[n-]c21 ZINC000494115173 561462718 /nfs/dbraw/zinc/46/27/18/561462718.db2.gz BUJRGUOSELPJTO-UHFFFAOYSA-N -1 3 355.310 2.092 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3N)nc21 ZINC000494115173 561462719 /nfs/dbraw/zinc/46/27/19/561462719.db2.gz BUJRGUOSELPJTO-UHFFFAOYSA-N -1 3 355.310 2.092 20 5 FEBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)n1 ZINC000273971615 550517755 /nfs/dbraw/zinc/51/77/55/550517755.db2.gz XPEWSCFSZVJHNB-VIFPVBQESA-N -1 3 373.394 2.499 20 5 FEBDHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274922766 550564971 /nfs/dbraw/zinc/56/49/71/550564971.db2.gz NDXWGPJPBWEXBN-UHFFFAOYSA-N -1 3 370.365 2.460 20 5 FEBDHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000281490917 551104577 /nfs/dbraw/zinc/10/45/77/551104577.db2.gz DXOPTGKIDYMEIE-UHFFFAOYSA-N -1 3 358.354 2.093 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000282390673 551221846 /nfs/dbraw/zinc/22/18/46/551221846.db2.gz RLPJNQDMNAWDAC-HNNXBMFYSA-N -1 3 370.427 2.231 20 5 FEBDHM CC(=O)NCc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000498611389 561530203 /nfs/dbraw/zinc/53/02/03/561530203.db2.gz AJIRZJHAUZJRAL-UHFFFAOYSA-N -1 3 353.338 2.360 20 5 FEBDHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000286529187 551896742 /nfs/dbraw/zinc/89/67/42/551896742.db2.gz SQBRUSKTKSORHF-GFCCVEGCSA-N -1 3 353.329 2.329 20 5 FEBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000286836496 551931675 /nfs/dbraw/zinc/93/16/75/551931675.db2.gz WJUADUHZSNIZHJ-UHFFFAOYSA-N -1 3 360.432 2.335 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)c3c(N)cccc3[N+](=O)[O-])[n-]c21 ZINC000500277971 561569448 /nfs/dbraw/zinc/56/94/48/561569448.db2.gz BBZGGMMABNGSPX-UHFFFAOYSA-N -1 3 355.310 2.092 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(N)cccc3[N+](=O)[O-])nc21 ZINC000500277971 561569449 /nfs/dbraw/zinc/56/94/49/561569449.db2.gz BBZGGMMABNGSPX-UHFFFAOYSA-N -1 3 355.310 2.092 20 5 FEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000290820045 552543525 /nfs/dbraw/zinc/54/35/25/552543525.db2.gz SYAGMNOMXRTCMW-SNVBAGLBSA-N -1 3 374.781 2.466 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2c(=O)[n-]cnc2C1 ZINC000293558532 552835489 /nfs/dbraw/zinc/83/54/89/552835489.db2.gz UPSFVTWDAFJSKF-UHFFFAOYSA-N -1 3 368.271 2.308 20 5 FEBDHM Cc1cc(Cl)c(C(=O)Nc2nnc(SCCO)[n-]2)cc1[N+](=O)[O-] ZINC000294824303 552936883 /nfs/dbraw/zinc/93/68/83/552936883.db2.gz CZQTYSWMKJLXSS-UHFFFAOYSA-N -1 3 357.779 2.011 20 5 FEBDHM Cc1cc(Cl)c(C(=O)Nc2nc(SCCO)n[n-]2)cc1[N+](=O)[O-] ZINC000294824303 552936884 /nfs/dbraw/zinc/93/68/84/552936884.db2.gz CZQTYSWMKJLXSS-UHFFFAOYSA-N -1 3 357.779 2.011 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000503479982 561642482 /nfs/dbraw/zinc/64/24/82/561642482.db2.gz UONNLBVKAFWCBE-SWLSCSKDSA-N -1 3 372.443 2.035 20 5 FEBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301804172 553681190 /nfs/dbraw/zinc/68/11/90/553681190.db2.gz VEGGFDFISCBZOW-UHFFFAOYSA-N -1 3 364.365 2.419 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421195 554119854 /nfs/dbraw/zinc/11/98/54/554119854.db2.gz QCMJWOMEOJELSS-UONOGXRCSA-N -1 3 355.460 2.302 20 5 FEBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280511 554240675 /nfs/dbraw/zinc/24/06/75/554240675.db2.gz FFAYUIZPGLSDNT-RYUDHWBXSA-N -1 3 359.423 2.133 20 5 FEBDHM CN1CCN(CC2(C)CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000332103268 554381067 /nfs/dbraw/zinc/38/10/67/554381067.db2.gz FYFCPFNKBASARK-UHFFFAOYSA-N -1 3 362.474 2.150 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000510562074 561839239 /nfs/dbraw/zinc/83/92/39/561839239.db2.gz ZBRMPGBFAPEKAO-UHFFFAOYSA-N -1 3 354.306 2.224 20 5 FEBDHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000349746582 554740753 /nfs/dbraw/zinc/74/07/53/554740753.db2.gz FMCWHKXNCADHBI-UHFFFAOYSA-N -1 3 361.339 2.078 20 5 FEBDHM O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360285549 554869998 /nfs/dbraw/zinc/86/99/98/554869998.db2.gz VBUUDRDGBQVWRM-UHFFFAOYSA-N -1 3 353.294 2.110 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC000364548022 555334422 /nfs/dbraw/zinc/33/44/22/555334422.db2.gz GQCOGCNKJKSFFS-UHFFFAOYSA-N -1 3 370.325 2.044 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000364548022 555334424 /nfs/dbraw/zinc/33/44/24/555334424.db2.gz GQCOGCNKJKSFFS-UHFFFAOYSA-N -1 3 370.325 2.044 20 5 FEBDHM CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364674755 555371252 /nfs/dbraw/zinc/37/12/52/555371252.db2.gz QRCXLYIXOBTEBJ-KSSFIOAISA-N -1 3 370.409 2.460 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000368769557 556409248 /nfs/dbraw/zinc/40/92/48/556409248.db2.gz HTZQMKNHJSOBSJ-JKSUJKDBSA-N -1 3 354.428 2.387 20 5 FEBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000517961582 562101638 /nfs/dbraw/zinc/10/16/38/562101638.db2.gz XHZDWHKOLJBXSC-UHFFFAOYSA-N -1 3 356.338 2.003 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2COc3cccc(F)c32)cc1 ZINC000371727421 557276210 /nfs/dbraw/zinc/27/62/10/557276210.db2.gz KSVDYWZWNYCOGC-ZDUSSCGKSA-N -1 3 352.343 2.287 20 5 FEBDHM O=c1cc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c2ccc([O-])cc2o1 ZINC000372275535 557427621 /nfs/dbraw/zinc/42/76/21/557427621.db2.gz WYGWTTOBYSLKHC-CYBMUJFWSA-N -1 3 370.365 2.440 20 5 FEBDHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000375735152 558074528 /nfs/dbraw/zinc/07/45/28/558074528.db2.gz ZAJKDDZZSWFNAG-CYBMUJFWSA-N -1 3 357.370 2.116 20 5 FEBDHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408014183 558638175 /nfs/dbraw/zinc/63/81/75/558638175.db2.gz KRQGUTJDKCMOAF-MRVPVSSYSA-N -1 3 364.221 2.498 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1)OCCO2 ZINC000525701396 562252763 /nfs/dbraw/zinc/25/27/63/562252763.db2.gz KHACHWBTAKOUEQ-UHFFFAOYSA-N -1 3 368.411 2.081 20 5 FEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416422065 559312009 /nfs/dbraw/zinc/31/20/09/559312009.db2.gz IJEIQTOAGCEPOX-SECBINFHSA-N -1 3 370.349 2.301 20 5 FEBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416532377 559320167 /nfs/dbraw/zinc/32/01/67/559320167.db2.gz WOEHEFCHPHFFQH-AOOOYVTPSA-N -1 3 368.333 2.459 20 5 FEBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C2 ZINC000416542492 559320742 /nfs/dbraw/zinc/32/07/42/559320742.db2.gz DUQRYRAWQBCHQW-CYBMUJFWSA-N -1 3 362.407 2.358 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)cc1[N+](=O)[O-] ZINC000416552553 559321376 /nfs/dbraw/zinc/32/13/76/559321376.db2.gz VUOZFZXFESLSGU-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000426019914 559727679 /nfs/dbraw/zinc/72/76/79/559727679.db2.gz GXMHSPNQRZKTPK-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000432294709 559855702 /nfs/dbraw/zinc/85/57/02/559855702.db2.gz SQDDKTXKXGDSDB-OAHLLOKOSA-N -1 3 366.399 2.031 20 5 FEBDHM CCC[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OCC ZINC000433475367 559882713 /nfs/dbraw/zinc/88/27/13/559882713.db2.gz RAKWDHFAZQRMFH-CYBMUJFWSA-N -1 3 372.443 2.469 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436647451 559947573 /nfs/dbraw/zinc/94/75/73/559947573.db2.gz KVQHNPNZEQDREJ-HNNXBMFYSA-N -1 3 357.366 2.119 20 5 FEBDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000443789107 560092904 /nfs/dbraw/zinc/09/29/04/560092904.db2.gz XRXNQKWQOAODGT-LLVKDONJSA-N -1 3 368.390 2.095 20 5 FEBDHM CCN(Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1)C(C)=O ZINC000444859627 560122940 /nfs/dbraw/zinc/12/29/40/560122940.db2.gz OZPAWSXOYBUTQI-UHFFFAOYSA-N -1 3 358.354 2.316 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000451844988 560332040 /nfs/dbraw/zinc/33/20/40/560332040.db2.gz UJAZXKGHNAEYGG-AWEZNQCLSA-N -1 3 358.416 2.158 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000452032138 560346689 /nfs/dbraw/zinc/34/66/89/560346689.db2.gz VLLRQAYXUGZNAQ-UHFFFAOYSA-N -1 3 351.384 2.122 20 5 FEBDHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452078765 560349870 /nfs/dbraw/zinc/34/98/70/560349870.db2.gz FAQJIPVKWQPELB-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cnn1[C@H]1CCOC1 ZINC000456267482 560513677 /nfs/dbraw/zinc/51/36/77/560513677.db2.gz POTYFRULJXYFKT-NSHDSACASA-N -1 3 356.342 2.190 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000466553704 560889839 /nfs/dbraw/zinc/88/98/39/560889839.db2.gz YBXGAABOIPNCTQ-HZPDHXFCSA-N -1 3 354.428 2.387 20 5 FEBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000466746623 560894360 /nfs/dbraw/zinc/89/43/60/560894360.db2.gz WEKWLEMTPYBNFG-JGVFFNPUSA-N -1 3 367.221 2.059 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000466909568 560899002 /nfs/dbraw/zinc/89/90/02/560899002.db2.gz MAAPJLPIRHNTGA-UHFFFAOYSA-N -1 3 358.416 2.303 20 5 FEBDHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000467117248 560903882 /nfs/dbraw/zinc/90/38/82/560903882.db2.gz PUFLNBCINRUMGK-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000468801224 560939141 /nfs/dbraw/zinc/93/91/41/560939141.db2.gz CBHCGKHSZRWWJA-LLVKDONJSA-N -1 3 356.322 2.149 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1sccc1C ZINC000469089350 560946969 /nfs/dbraw/zinc/94/69/69/560946969.db2.gz SXVYDJSXUUXCDT-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473337196 561047823 /nfs/dbraw/zinc/04/78/23/561047823.db2.gz BFYUTRHRTDGGEY-MRVPVSSYSA-N -1 3 373.387 2.101 20 5 FEBDHM COc1cc(CNCc2ncnn2-c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000475293802 561094342 /nfs/dbraw/zinc/09/43/42/561094342.db2.gz KYSLVWLEDVCEDT-UHFFFAOYSA-N -1 3 355.354 2.180 20 5 FEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC000531787056 562456608 /nfs/dbraw/zinc/45/66/08/562456608.db2.gz RVURGZVXEYPIBE-HNNXBMFYSA-N -1 3 370.427 2.303 20 5 FEBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC000531787057 562456663 /nfs/dbraw/zinc/45/66/63/562456663.db2.gz RVURGZVXEYPIBE-OAHLLOKOSA-N -1 3 370.427 2.303 20 5 FEBDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000535532380 562560564 /nfs/dbraw/zinc/56/05/64/562560564.db2.gz HBSHVAHNJWMHRB-NSHDSACASA-N -1 3 358.416 2.222 20 5 FEBDHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000568622921 568100019 /nfs/dbraw/zinc/10/00/19/568100019.db2.gz HUXUBITUBLMIPY-JSGCOSHPSA-N -1 3 372.443 2.035 20 5 FEBDHM CC(=O)c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000819833640 599047832 /nfs/dbraw/zinc/04/78/32/599047832.db2.gz JHZMRHRLWNEANY-UHFFFAOYSA-N -1 3 368.353 2.468 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737500696 599171694 /nfs/dbraw/zinc/17/16/94/599171694.db2.gz OIUHEDQVUVCONX-CYBMUJFWSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737500696 599171696 /nfs/dbraw/zinc/17/16/96/599171696.db2.gz OIUHEDQVUVCONX-CYBMUJFWSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc([N+](=O)[O-])c1 ZINC000822177023 599179123 /nfs/dbraw/zinc/17/91/23/599179123.db2.gz RINOIMHLBZJNAV-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc([N+](=O)[O-])c1 ZINC000822177023 599179126 /nfs/dbraw/zinc/17/91/26/599179126.db2.gz RINOIMHLBZJNAV-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111589 599182051 /nfs/dbraw/zinc/18/20/51/599182051.db2.gz MLWARVTXNDIAAE-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111589 599182053 /nfs/dbraw/zinc/18/20/53/599182053.db2.gz MLWARVTXNDIAAE-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000738233048 599186360 /nfs/dbraw/zinc/18/63/60/599186360.db2.gz ZTNCNPDBYXYITE-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cn1 ZINC000738233048 599186361 /nfs/dbraw/zinc/18/63/61/599186361.db2.gz ZTNCNPDBYXYITE-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738194218 599256807 /nfs/dbraw/zinc/25/68/07/599256807.db2.gz ADGWPIAVFVJVID-UHFFFAOYSA-N -1 3 367.350 2.059 20 5 FEBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738194218 599256809 /nfs/dbraw/zinc/25/68/09/599256809.db2.gz ADGWPIAVFVJVID-UHFFFAOYSA-N -1 3 367.350 2.059 20 5 FEBDHM Cc1c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822105002 607287068 /nfs/dbraw/zinc/28/70/68/607287068.db2.gz SRBNRMSRPGSVNK-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM Cc1c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822105002 607287069 /nfs/dbraw/zinc/28/70/69/607287069.db2.gz SRBNRMSRPGSVNK-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738369615 598296932 /nfs/dbraw/zinc/29/69/32/598296932.db2.gz KIAYUXSTEVNKRP-UHFFFAOYSA-N -1 3 373.373 2.401 20 5 FEBDHM O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738369615 598296934 /nfs/dbraw/zinc/29/69/34/598296934.db2.gz KIAYUXSTEVNKRP-UHFFFAOYSA-N -1 3 373.373 2.401 20 5 FEBDHM Cc1cnn([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737445292 598339714 /nfs/dbraw/zinc/33/97/14/598339714.db2.gz RUKKIWSJEASGJB-CYBMUJFWSA-N -1 3 354.374 2.121 20 5 FEBDHM Cc1cnn([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737445292 598339716 /nfs/dbraw/zinc/33/97/16/598339716.db2.gz RUKKIWSJEASGJB-CYBMUJFWSA-N -1 3 354.374 2.121 20 5 FEBDHM CC(C)c1n[nH]c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000820184198 607355414 /nfs/dbraw/zinc/35/54/14/607355414.db2.gz WRMYQZGEWQAZLE-SECBINFHSA-N -1 3 370.373 2.112 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738371703 598388991 /nfs/dbraw/zinc/38/89/91/598388991.db2.gz WWNUYBHIPVAVJM-LBPRGKRZSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738371703 598388994 /nfs/dbraw/zinc/38/89/94/598388994.db2.gz WWNUYBHIPVAVJM-LBPRGKRZSA-N -1 3 351.370 2.466 20 5 FEBDHM CC(C)(C)OC(=O)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735623387 598457158 /nfs/dbraw/zinc/45/71/58/598457158.db2.gz IRENGQBEIJXBMF-UHFFFAOYSA-N -1 3 374.401 2.333 20 5 FEBDHM CC(C)(C)OC(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000735623387 598457160 /nfs/dbraw/zinc/45/71/60/598457160.db2.gz IRENGQBEIJXBMF-UHFFFAOYSA-N -1 3 374.401 2.333 20 5 FEBDHM CCOc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC ZINC000736636702 598499195 /nfs/dbraw/zinc/49/91/95/598499195.db2.gz QQIVJZFIBNLVQX-UHFFFAOYSA-N -1 3 357.330 2.321 20 5 FEBDHM CCOc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC ZINC000736636702 598499197 /nfs/dbraw/zinc/49/91/97/598499197.db2.gz QQIVJZFIBNLVQX-UHFFFAOYSA-N -1 3 357.330 2.321 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2cc(-c3ccccc3)no2)c(-c2nnn[n-]2)c1 ZINC000738374968 598499983 /nfs/dbraw/zinc/49/99/83/598499983.db2.gz VNXHKUKMTTXBPV-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2cc(-c3ccccc3)no2)c(-c2nn[n-]n2)c1 ZINC000738374968 598499985 /nfs/dbraw/zinc/49/99/85/598499985.db2.gz VNXHKUKMTTXBPV-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM C[C@H](c1ccccc1)[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736203260 598628135 /nfs/dbraw/zinc/62/81/35/598628135.db2.gz LZMQFLFLPOASAE-ABAIWWIYSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@H](c1ccccc1)[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736203260 598628137 /nfs/dbraw/zinc/62/81/37/598628137.db2.gz LZMQFLFLPOASAE-ABAIWWIYSA-N -1 3 354.370 2.351 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(N)c([N+](=O)[O-])c1 ZINC000737243197 598711115 /nfs/dbraw/zinc/71/11/15/598711115.db2.gz SLWHKDQFQCFSON-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(N)c([N+](=O)[O-])c1 ZINC000737243197 598711117 /nfs/dbraw/zinc/71/11/17/598711117.db2.gz SLWHKDQFQCFSON-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM CN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000736845529 598797467 /nfs/dbraw/zinc/79/74/67/598797467.db2.gz MEDFTOGRJMSCCQ-UHFFFAOYSA-N -1 3 365.353 2.428 20 5 FEBDHM CN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC000736845529 598797468 /nfs/dbraw/zinc/79/74/68/598797468.db2.gz MEDFTOGRJMSCCQ-UHFFFAOYSA-N -1 3 365.353 2.428 20 5 FEBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737193155 598804556 /nfs/dbraw/zinc/80/45/56/598804556.db2.gz YBUHOWPSIXQLGW-UHFFFAOYSA-N -1 3 357.355 2.144 20 5 FEBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737193155 598804557 /nfs/dbraw/zinc/80/45/57/598804557.db2.gz YBUHOWPSIXQLGW-UHFFFAOYSA-N -1 3 357.355 2.144 20 5 FEBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397868 599529810 /nfs/dbraw/zinc/52/98/10/599529810.db2.gz VQDIHYVAIWFRJV-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397868 599529811 /nfs/dbraw/zinc/52/98/11/599529811.db2.gz VQDIHYVAIWFRJV-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[C@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823643781 599571865 /nfs/dbraw/zinc/57/18/65/599571865.db2.gz AQGMORJBJDXTTJ-ZUZCIYMTSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[C@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000823643781 599571866 /nfs/dbraw/zinc/57/18/66/599571866.db2.gz AQGMORJBJDXTTJ-ZUZCIYMTSA-N -1 3 369.385 2.286 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000826252183 607384914 /nfs/dbraw/zinc/38/49/14/607384914.db2.gz SKXAQWSMPVGDAY-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000826252183 607384916 /nfs/dbraw/zinc/38/49/16/607384916.db2.gz SKXAQWSMPVGDAY-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000821745468 607409497 /nfs/dbraw/zinc/40/94/97/607409497.db2.gz XQHCEHKBYNWGHY-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000821745468 607409498 /nfs/dbraw/zinc/40/94/98/607409498.db2.gz XQHCEHKBYNWGHY-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423789 607424690 /nfs/dbraw/zinc/42/46/90/607424690.db2.gz GUHRJBNWKYYWLC-UHFFFAOYSA-N -1 3 364.365 2.123 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423789 607424691 /nfs/dbraw/zinc/42/46/91/607424691.db2.gz GUHRJBNWKYYWLC-UHFFFAOYSA-N -1 3 364.365 2.123 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc([N+](=O)[O-])cn1 ZINC000821701968 607466254 /nfs/dbraw/zinc/46/62/54/607466254.db2.gz BUSHDDZGRSTNFK-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc([N+](=O)[O-])cn1 ZINC000821701968 607466258 /nfs/dbraw/zinc/46/62/58/607466258.db2.gz BUSHDDZGRSTNFK-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM Cc1c(NC(=O)CCN2CCC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740048452 601974565 /nfs/dbraw/zinc/97/45/65/601974565.db2.gz HVKAGZOLJVTGCB-CYBMUJFWSA-N -1 3 364.402 2.306 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000740097940 601974615 /nfs/dbraw/zinc/97/46/15/601974615.db2.gz KFDSLWSQMHROAR-AWEZNQCLSA-N -1 3 364.402 2.306 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446865 606104749 /nfs/dbraw/zinc/10/47/49/606104749.db2.gz DTTBVHDULFYZOL-VMONGQDGSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446865 606104750 /nfs/dbraw/zinc/10/47/50/606104750.db2.gz DTTBVHDULFYZOL-VMONGQDGSA-N -1 3 364.431 2.267 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974463 606270166 /nfs/dbraw/zinc/27/01/66/606270166.db2.gz OKYAXICRULRTIN-UHFFFAOYSA-N -1 3 372.316 2.322 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974463 606270168 /nfs/dbraw/zinc/27/01/68/606270168.db2.gz OKYAXICRULRTIN-UHFFFAOYSA-N -1 3 372.316 2.322 20 5 FEBDHM Cc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)c1 ZINC000822309355 606644880 /nfs/dbraw/zinc/64/48/80/606644880.db2.gz VROZQTUEVQICQY-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM O=[N+]([O-])c1cc(NCc2ccc(N3CCCC3)nc2)ccc1-c1nnn[n-]1 ZINC000823634953 606645174 /nfs/dbraw/zinc/64/51/74/606645174.db2.gz OVHYYVQIWFNBMM-UHFFFAOYSA-N -1 3 366.385 2.382 20 5 FEBDHM O=[N+]([O-])c1cc(NCc2ccc(N3CCCC3)nc2)ccc1-c1nn[n-]n1 ZINC000823634953 606645175 /nfs/dbraw/zinc/64/51/75/606645175.db2.gz OVHYYVQIWFNBMM-UHFFFAOYSA-N -1 3 366.385 2.382 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821699657 606663105 /nfs/dbraw/zinc/66/31/05/606663105.db2.gz YEWIUXOIESLKPQ-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821699657 606663106 /nfs/dbraw/zinc/66/31/06/606663106.db2.gz YEWIUXOIESLKPQ-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM C[C@]1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820636083 606728711 /nfs/dbraw/zinc/72/87/11/606728711.db2.gz QAWKXEQYDGEXFI-KRWDZBQOSA-N -1 3 351.370 2.338 20 5 FEBDHM C[C@]1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820636083 606728713 /nfs/dbraw/zinc/72/87/13/606728713.db2.gz QAWKXEQYDGEXFI-KRWDZBQOSA-N -1 3 351.370 2.338 20 5 FEBDHM CCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821394493 606800836 /nfs/dbraw/zinc/80/08/36/606800836.db2.gz KLMXSGSIBGCRDA-UHFFFAOYSA-N -1 3 355.358 2.489 20 5 FEBDHM CCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821394493 606800838 /nfs/dbraw/zinc/80/08/38/606800838.db2.gz KLMXSGSIBGCRDA-UHFFFAOYSA-N -1 3 355.358 2.489 20 5 FEBDHM Cc1cccc(CC2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000822299183 606945286 /nfs/dbraw/zinc/94/52/86/606945286.db2.gz ARSQYOHHHVDLGM-UHFFFAOYSA-N -1 3 351.370 2.157 20 5 FEBDHM Cc1cccc(CC2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000822299183 606945289 /nfs/dbraw/zinc/94/52/89/606945289.db2.gz ARSQYOHHHVDLGM-UHFFFAOYSA-N -1 3 351.370 2.157 20 5 FEBDHM COc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821702916 607081179 /nfs/dbraw/zinc/08/11/79/607081179.db2.gz GVKNDZOBKDBREL-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821702916 607081181 /nfs/dbraw/zinc/08/11/81/607081181.db2.gz GVKNDZOBKDBREL-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000821304260 607102031 /nfs/dbraw/zinc/10/20/31/607102031.db2.gz COQCGEKWNWEJOC-UHFFFAOYSA-N -1 3 368.357 2.041 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821845452 607244531 /nfs/dbraw/zinc/24/45/31/607244531.db2.gz GNMUOCHJQLSPFG-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821845452 607244532 /nfs/dbraw/zinc/24/45/32/607244532.db2.gz GNMUOCHJQLSPFG-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000825817114 607786369 /nfs/dbraw/zinc/78/63/69/607786369.db2.gz BGAGQXHMDMEXCM-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000825817114 607786370 /nfs/dbraw/zinc/78/63/70/607786370.db2.gz BGAGQXHMDMEXCM-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1cc(F)ccc1F ZINC000826497450 607873466 /nfs/dbraw/zinc/87/34/66/607873466.db2.gz HRMUFIPVNIXALT-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cc(F)ccc1F ZINC000826497450 607873467 /nfs/dbraw/zinc/87/34/67/607873467.db2.gz HRMUFIPVNIXALT-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM Cc1cc(F)ccc1[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826268581 607876530 /nfs/dbraw/zinc/87/65/30/607876530.db2.gz CUTYLVFZSPWCML-AWEZNQCLSA-N -1 3 359.317 2.335 20 5 FEBDHM Cc1cc(F)ccc1[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826268581 607876531 /nfs/dbraw/zinc/87/65/31/607876531.db2.gz CUTYLVFZSPWCML-AWEZNQCLSA-N -1 3 359.317 2.335 20 5 FEBDHM NC(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000826390970 607934580 /nfs/dbraw/zinc/93/45/80/607934580.db2.gz SFZKITSSTMCEAI-AWEZNQCLSA-N -1 3 359.390 2.011 20 5 FEBDHM NC(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000826390970 607934581 /nfs/dbraw/zinc/93/45/81/607934581.db2.gz SFZKITSSTMCEAI-AWEZNQCLSA-N -1 3 359.390 2.011 20 5 FEBDHM Cc1nc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826327114 608052456 /nfs/dbraw/zinc/05/24/56/608052456.db2.gz SKEKPSUKYOAVLU-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1nc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826327114 608052457 /nfs/dbraw/zinc/05/24/57/608052457.db2.gz SKEKPSUKYOAVLU-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3nccs3)cc(-c3nnn[n-]3)c2c1 ZINC000826499614 608370750 /nfs/dbraw/zinc/37/07/50/608370750.db2.gz PVKQILUCTDBDKU-UHFFFAOYSA-N -1 3 354.355 2.392 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3nccs3)cc(-c3nn[n-]n3)c2c1 ZINC000826499614 608370752 /nfs/dbraw/zinc/37/07/52/608370752.db2.gz PVKQILUCTDBDKU-UHFFFAOYSA-N -1 3 354.355 2.392 20 5 FEBDHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824498192 608405359 /nfs/dbraw/zinc/40/53/59/608405359.db2.gz DFXAQWWHBGCLDS-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824498192 608405362 /nfs/dbraw/zinc/40/53/62/608405362.db2.gz DFXAQWWHBGCLDS-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM CC(C)[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824224764 609320343 /nfs/dbraw/zinc/32/03/43/609320343.db2.gz QQPWYIDBGTUDOJ-OAHLLOKOSA-N -1 3 369.385 2.184 20 5 FEBDHM CC(C)[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824224764 609320344 /nfs/dbraw/zinc/32/03/44/609320344.db2.gz QQPWYIDBGTUDOJ-OAHLLOKOSA-N -1 3 369.385 2.184 20 5 FEBDHM CC(C)(C)OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824119943 609330160 /nfs/dbraw/zinc/33/01/60/609330160.db2.gz UXSNLBLXVNFMTC-UHFFFAOYSA-N -1 3 354.754 2.182 20 5 FEBDHM CC(C)(C)OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824119943 609330161 /nfs/dbraw/zinc/33/01/61/609330161.db2.gz UXSNLBLXVNFMTC-UHFFFAOYSA-N -1 3 354.754 2.182 20 5 FEBDHM COc1ccc(CNCc2ccc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826202870 609342890 /nfs/dbraw/zinc/34/28/90/609342890.db2.gz QSQVKQXQJQAOCK-UHFFFAOYSA-N -1 3 358.333 2.212 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000826186949 609482062 /nfs/dbraw/zinc/48/20/62/609482062.db2.gz ROVWUFJXETUELR-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000826186949 609482065 /nfs/dbraw/zinc/48/20/65/609482065.db2.gz ROVWUFJXETUELR-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000815009394 674895195 /nfs/dbraw/zinc/89/51/95/674895195.db2.gz ISVJOSFOIBWTQH-MRVPVSSYSA-N -1 3 365.814 2.148 20 5 FEBDHM O=C([O-])c1cnc(NCC2(N3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000572527792 671013773 /nfs/dbraw/zinc/01/37/73/671013773.db2.gz MKLJHKIMQKYONA-UHFFFAOYSA-N -1 3 366.443 2.462 20 5 FEBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000579959760 671773304 /nfs/dbraw/zinc/77/33/04/671773304.db2.gz DYIJGIDVSAJEAB-BXKDBHETSA-N -1 3 350.824 2.324 20 5 FEBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000118954002 671889402 /nfs/dbraw/zinc/88/94/02/671889402.db2.gz FICHBOYPEHLERR-HNNXBMFYSA-N -1 3 370.814 2.434 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@@H]21 ZINC000610266125 675963075 /nfs/dbraw/zinc/96/30/75/675963075.db2.gz ZWFIFICXCMKUKL-HONMWMINSA-N -1 3 358.391 2.216 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c1 ZINC000582515380 672008432 /nfs/dbraw/zinc/00/84/32/672008432.db2.gz NFNWUFUHCFLTEI-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000584398807 672183820 /nfs/dbraw/zinc/18/38/20/672183820.db2.gz UGKSBZUKFLBNAK-AWEZNQCLSA-N -1 3 362.835 2.468 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(F)cc1 ZINC000159060771 672276821 /nfs/dbraw/zinc/27/68/21/672276821.db2.gz DNQKKSKUNHJCJD-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM O=C([N-]c1nn2cnnc2s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610914281 676005240 /nfs/dbraw/zinc/00/52/40/676005240.db2.gz WJIDCGATIVPEOE-UHFFFAOYSA-N -1 3 369.160 2.109 20 5 FEBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000176056706 672372675 /nfs/dbraw/zinc/37/26/75/672372675.db2.gz VIXYHMNLCCBLDW-UHFFFAOYSA-N -1 3 371.321 2.081 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ncn1 ZINC000611133998 676020157 /nfs/dbraw/zinc/02/01/57/676020157.db2.gz HLWHYKYRRCNKNZ-UHFFFAOYSA-N -1 3 356.791 2.134 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)COCc1ccccc1 ZINC000593535782 672936771 /nfs/dbraw/zinc/93/67/71/672936771.db2.gz OYEFZDKHEUPIOE-ZDUSSCGKSA-N -1 3 365.411 2.121 20 5 FEBDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000593596088 672954138 /nfs/dbraw/zinc/95/41/38/672954138.db2.gz NWGXILLGJHBOOC-UHFFFAOYSA-N -1 3 363.395 2.009 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)nc1 ZINC000593599982 672954761 /nfs/dbraw/zinc/95/47/61/672954761.db2.gz FKDFNNZSRZRMLQ-AULYBMBSSA-N -1 3 351.359 2.353 20 5 FEBDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604694 672956000 /nfs/dbraw/zinc/95/60/00/672956000.db2.gz AXIAPMHTKWGHOP-LBPRGKRZSA-N -1 3 350.400 2.075 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cccc32)nc1 ZINC000593605211 672956128 /nfs/dbraw/zinc/95/61/28/672956128.db2.gz ZTJRTQLIFGAELB-AWEZNQCLSA-N -1 3 351.359 2.485 20 5 FEBDHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750480 673129065 /nfs/dbraw/zinc/12/90/65/673129065.db2.gz JCSOFTLWBDUYNB-BETUJISGSA-N -1 3 370.475 2.025 20 5 FEBDHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594800555 673147629 /nfs/dbraw/zinc/14/76/29/673147629.db2.gz GVAWDWMAOIPXBP-JTQLQIEISA-N -1 3 361.851 2.399 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000733320563 673409636 /nfs/dbraw/zinc/40/96/36/673409636.db2.gz QOCYEKMTHYGUHZ-LLVKDONJSA-N -1 3 356.322 2.067 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)c(F)c1 ZINC000542318978 673575266 /nfs/dbraw/zinc/57/52/66/673575266.db2.gz AGKCQLRZYXJKQI-AWEZNQCLSA-N -1 3 368.386 2.006 20 5 FEBDHM CCCCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599486639 673682483 /nfs/dbraw/zinc/68/24/83/673682483.db2.gz MLIMMEQGLPNVKW-OAHLLOKOSA-N -1 3 358.416 2.093 20 5 FEBDHM O=C([N-]c1nc(CN2CCOCC2)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC000601004065 673818960 /nfs/dbraw/zinc/81/89/60/673818960.db2.gz WOTMNNHMZOCZHX-UHFFFAOYSA-N -1 3 366.374 2.275 20 5 FEBDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000546888930 673826060 /nfs/dbraw/zinc/82/60/60/673826060.db2.gz AUXOUWKPVBBTSL-NSHDSACASA-N -1 3 364.807 2.258 20 5 FEBDHM CCCn1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000617431792 676284836 /nfs/dbraw/zinc/28/48/36/676284836.db2.gz DNNZXLVIYXWKLR-UHFFFAOYSA-N -1 3 353.400 2.293 20 5 FEBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)cc(Cl)c1[O-] ZINC000761412637 680722736 /nfs/dbraw/zinc/72/27/36/680722736.db2.gz SMTNIMQEXNXHPM-UHFFFAOYSA-N -1 3 356.693 2.112 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)nc1 ZINC000767586874 680917381 /nfs/dbraw/zinc/91/73/81/680917381.db2.gz OSNSTEBRGUNKPR-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)N(CC)CC ZINC000778599525 681627890 /nfs/dbraw/zinc/62/78/90/681627890.db2.gz IQBBPOQCJPBHHM-CQSZACIVSA-N -1 3 371.459 2.137 20 5 FEBDHM CC(C)(C)c1n[nH]c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000913611112 685480820 /nfs/dbraw/zinc/48/08/20/685480820.db2.gz ALYRNTGCFVZGRL-UHFFFAOYSA-N -1 3 363.399 2.059 20 5 FEBDHM CC(C)(C)c1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000913611112 685480821 /nfs/dbraw/zinc/48/08/21/685480821.db2.gz ALYRNTGCFVZGRL-UHFFFAOYSA-N -1 3 363.399 2.059 20 5 FEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820919 682147384 /nfs/dbraw/zinc/14/73/84/682147384.db2.gz KUVQJEGMGXSSHZ-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc(C)c(=O)n(C)c2)c1 ZINC000783839330 682180454 /nfs/dbraw/zinc/18/04/54/682180454.db2.gz HGNSNWVLOQXVQW-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM O=c1[n-]ccc(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000853364881 682408782 /nfs/dbraw/zinc/40/87/82/682408782.db2.gz MGFRMVFRRJGROL-LLVKDONJSA-N -1 3 367.745 2.266 20 5 FEBDHM CCOC(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCC ZINC000786898787 682417332 /nfs/dbraw/zinc/41/73/32/682417332.db2.gz NWXKGMJSAWYWHQ-UHFFFAOYSA-N -1 3 366.823 2.316 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(F)(F)F)O2)c(F)c1 ZINC000920935850 683380874 /nfs/dbraw/zinc/38/08/74/683380874.db2.gz DOHGTPFXGYMRQA-LDYMZIIASA-N -1 3 372.296 2.122 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)c(F)c1 ZINC000921853600 683593579 /nfs/dbraw/zinc/59/35/79/683593579.db2.gz IRAIPFIANYYDOL-IAQYHMDHSA-N -1 3 358.391 2.217 20 5 FEBDHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000007513500 539460070 /nfs/dbraw/zinc/46/00/70/539460070.db2.gz BXWXWTRZCSHQNB-UHFFFAOYSA-N -1 3 351.388 2.341 20 5 FEBDHM CCCCn1c(=O)[n-]nc1SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000010378148 539516778 /nfs/dbraw/zinc/51/67/78/539516778.db2.gz WMEVKTCQRMDKAN-UHFFFAOYSA-N -1 3 365.415 2.447 20 5 FEBDHM CC(C)CN1C[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1=O ZINC000522122920 539543178 /nfs/dbraw/zinc/54/31/78/539543178.db2.gz SJXBNCWRZMMXGH-ZDUSSCGKSA-N -1 3 371.397 2.428 20 5 FEBDHM Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000015922996 539624785 /nfs/dbraw/zinc/62/47/85/539624785.db2.gz WDHWHXWUEXZCCI-UHFFFAOYSA-N -1 3 350.352 2.265 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000029939599 539870006 /nfs/dbraw/zinc/87/00/06/539870006.db2.gz ICHMTDQWSDMICX-UHFFFAOYSA-N -1 3 370.770 2.455 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000030493917 539882554 /nfs/dbraw/zinc/88/25/54/539882554.db2.gz LPSGGYLGDFGKGN-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000042219482 540055559 /nfs/dbraw/zinc/05/55/59/540055559.db2.gz FLIDESXIISSSOU-CYBMUJFWSA-N -1 3 364.807 2.258 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000046036800 540238508 /nfs/dbraw/zinc/23/85/08/540238508.db2.gz BULUYRWQNSTJMT-OCCSQVGLSA-N -1 3 372.443 2.477 20 5 FEBDHM CCOc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000056071294 540699442 /nfs/dbraw/zinc/69/94/42/540699442.db2.gz OAVOEKOCXZNYBG-UHFFFAOYSA-N -1 3 366.395 2.481 20 5 FEBDHM O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1[O-] ZINC000540502332 541067935 /nfs/dbraw/zinc/06/79/35/541067935.db2.gz HQBBNRMXIKCNIE-UHFFFAOYSA-N -1 3 367.365 2.476 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000060498463 541114632 /nfs/dbraw/zinc/11/46/32/541114632.db2.gz FIYWIKHDVXXFAM-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCOCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066568819 541338000 /nfs/dbraw/zinc/33/80/00/541338000.db2.gz PVODFIXEAIGSQA-UHFFFAOYSA-N -1 3 367.221 2.062 20 5 FEBDHM O=C([N-]c1nnc(C2CC2)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067135232 541422660 /nfs/dbraw/zinc/42/26/60/541422660.db2.gz HCLKBRJOHZARQS-UHFFFAOYSA-N -1 3 357.355 2.157 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000067950960 541532284 /nfs/dbraw/zinc/53/22/84/541532284.db2.gz NSBZSDGKEHNNFX-VIFPVBQESA-N -1 3 357.413 2.408 20 5 FEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000801833526 674151765 /nfs/dbraw/zinc/15/17/65/674151765.db2.gz CYDQJHRUUOOZFK-UHFFFAOYSA-N -1 3 360.330 2.482 20 5 FEBDHM CCn1cnc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000080760451 542605910 /nfs/dbraw/zinc/60/59/10/542605910.db2.gz IFAMBQCVGXHGMZ-UHFFFAOYSA-N -1 3 352.416 2.112 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)cc1C ZINC000102888503 543084117 /nfs/dbraw/zinc/08/41/17/543084117.db2.gz PDVWIYUBPKKUGW-AWEZNQCLSA-N -1 3 350.396 2.224 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000111348518 543398259 /nfs/dbraw/zinc/39/82/59/543398259.db2.gz CZQNKPHIPJMCDM-CQSZACIVSA-N -1 3 363.439 2.394 20 5 FEBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000113301443 543483347 /nfs/dbraw/zinc/48/33/47/543483347.db2.gz IGJUYIGFZPSFNP-ZDUSSCGKSA-N -1 3 371.459 2.146 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1cccc(Cl)c1 ZINC000116922465 543619606 /nfs/dbraw/zinc/61/96/06/543619606.db2.gz SSGQAXWXNUZIFB-UHFFFAOYSA-N -1 3 369.830 2.316 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000124509866 543826129 /nfs/dbraw/zinc/82/61/29/543826129.db2.gz ZZTUNTKAEUVUBP-GFCCVEGCSA-N -1 3 356.425 2.367 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000133536322 544274041 /nfs/dbraw/zinc/27/40/41/544274041.db2.gz CEJGUBFOHAFZJG-UHFFFAOYSA-N -1 3 365.411 2.148 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1nccs1 ZINC000186677828 327975500 /nfs/dbraw/zinc/97/55/00/327975500.db2.gz YKLQVMONCRBWQR-SECBINFHSA-N -1 3 357.413 2.142 20 5 FEBDHM COc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1[O-] ZINC000078239693 325036967 /nfs/dbraw/zinc/03/69/67/325036967.db2.gz KEZRMJQQAKBHSW-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)c1C ZINC000120684492 326278674 /nfs/dbraw/zinc/27/86/74/326278674.db2.gz RVPFOXGIOSWISK-QFIPXVFZSA-N -1 3 362.473 2.037 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCO1 ZINC000162761839 327034274 /nfs/dbraw/zinc/03/42/74/327034274.db2.gz IJHKQEAWINRILS-LDYMZIIASA-N -1 3 368.333 2.459 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000170735281 327096086 /nfs/dbraw/zinc/09/60/86/327096086.db2.gz QVXNNHBSSUHZHC-AWEZNQCLSA-N -1 3 354.359 2.400 20 5 FEBDHM COCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1F ZINC000171641663 327150739 /nfs/dbraw/zinc/15/07/39/327150739.db2.gz OBFJCAZKUUQTGM-UHFFFAOYSA-N -1 3 360.388 2.420 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c([N+](=O)[O-])c1 ZINC000173610246 327270783 /nfs/dbraw/zinc/27/07/83/327270783.db2.gz FBNHRQMOUHRRCO-GFCCVEGCSA-N -1 3 367.427 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC3CCCC3)C2)s1 ZINC000173865073 327289939 /nfs/dbraw/zinc/28/99/39/327289939.db2.gz SRWJRMHWUMHNFZ-LBPRGKRZSA-N -1 3 359.473 2.199 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC000271711548 329717908 /nfs/dbraw/zinc/71/79/08/329717908.db2.gz RPHXFZHISQIWIA-FZMZJTMJSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([C@H](C)O)c(C)n1 ZINC000272096757 329751836 /nfs/dbraw/zinc/75/18/36/329751836.db2.gz KOFLYAQLZGXNBD-LBPRGKRZSA-N -1 3 365.411 2.138 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000273567597 329875477 /nfs/dbraw/zinc/87/54/77/329875477.db2.gz GBHQEGLOIBAPTF-VIFPVBQESA-N -1 3 356.429 2.411 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCOCC(C)C)cc1[N+](=O)[O-] ZINC000275332935 330036114 /nfs/dbraw/zinc/03/61/14/330036114.db2.gz ZPHMUJUWCVLPPC-UHFFFAOYSA-N -1 3 364.395 2.084 20 5 FEBDHM C[C@H]1NCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836265 330276071 /nfs/dbraw/zinc/27/60/71/330276071.db2.gz ZEVOSKOWVVCTKQ-GMSGAONNSA-N -1 3 368.242 2.320 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000479228051 561185450 /nfs/dbraw/zinc/18/54/50/561185450.db2.gz QRFAPYBLUXGPMX-JTQLQIEISA-N -1 3 374.415 2.002 20 5 FEBDHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480686094 561214439 /nfs/dbraw/zinc/21/44/39/561214439.db2.gz BJRFFDBCEZFKHP-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2OC)c(F)c1 ZINC000480731956 561215525 /nfs/dbraw/zinc/21/55/25/561215525.db2.gz RFPYEPYJAIWYJC-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000480873634 561219079 /nfs/dbraw/zinc/21/90/79/561219079.db2.gz LEELMWYYQMVLPW-CABCVRRESA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000481044825 561223847 /nfs/dbraw/zinc/22/38/47/561223847.db2.gz FMWUHBSOKYOTCQ-CQSZACIVSA-N -1 3 368.386 2.363 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)n(C)c1 ZINC000481601529 561237165 /nfs/dbraw/zinc/23/71/65/561237165.db2.gz TWKKRHOWAVXFOV-UHFFFAOYSA-N -1 3 357.775 2.056 20 5 FEBDHM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000180116721 547054220 /nfs/dbraw/zinc/05/42/20/547054220.db2.gz XPDFQNSKPHIWOA-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM COCCCn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000484668353 561302855 /nfs/dbraw/zinc/30/28/55/561302855.db2.gz GYNXEOPXJPZUKM-UHFFFAOYSA-N -1 3 354.388 2.229 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000193984720 548417893 /nfs/dbraw/zinc/41/78/93/548417893.db2.gz GSWRWIGSRDYYDV-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM CCN1CCN(c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)CC1 ZINC000194022962 548423936 /nfs/dbraw/zinc/42/39/36/548423936.db2.gz SRMGRVHATSAIGW-UHFFFAOYSA-N -1 3 371.397 2.090 20 5 FEBDHM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000194035964 548426406 /nfs/dbraw/zinc/42/64/06/548426406.db2.gz QESAJOOGAYVKHK-IBGZPJMESA-N -1 3 370.409 2.480 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@@H](C)O)cc1 ZINC000269821264 550227865 /nfs/dbraw/zinc/22/78/65/550227865.db2.gz SIKHKZUHXDTRST-LLVKDONJSA-N -1 3 366.395 2.135 20 5 FEBDHM Cc1ccc(-n2nccc2NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nn1 ZINC000494637312 561473110 /nfs/dbraw/zinc/47/31/10/561473110.db2.gz NOYFGPRFBGORON-UHFFFAOYSA-N -1 3 364.325 2.008 20 5 FEBDHM COc1cc(CN[C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000276722544 550589086 /nfs/dbraw/zinc/58/90/86/550589086.db2.gz SQJMMEZYWGBBHT-AWEZNQCLSA-N -1 3 350.346 2.141 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000276887165 550607472 /nfs/dbraw/zinc/60/74/72/550607472.db2.gz TYEMEJFZEMJGIE-GFCCVEGCSA-N -1 3 354.384 2.125 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000281849887 551148171 /nfs/dbraw/zinc/14/81/71/551148171.db2.gz YGHQVWSEDOVTLW-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000497940490 561511809 /nfs/dbraw/zinc/51/18/09/561511809.db2.gz UDCIRTGAAMTOEC-BXKDBHETSA-N -1 3 370.349 2.192 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1cccc(C)n1 ZINC000285254174 551727195 /nfs/dbraw/zinc/72/71/95/551727195.db2.gz IPVZEAJYNDKTKZ-UHFFFAOYSA-N -1 3 365.411 2.218 20 5 FEBDHM O=C1[N-]C(=O)N2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000499212028 561545833 /nfs/dbraw/zinc/54/58/33/561545833.db2.gz ONSHHIXPKVJERT-AWEZNQCLSA-N -1 3 372.406 2.059 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@H](O)c1ccccc1 ZINC000288528280 552169643 /nfs/dbraw/zinc/16/96/43/552169643.db2.gz ZNRAENKNJBDRIT-ZBEGNZNMSA-N -1 3 366.395 2.004 20 5 FEBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000500106415 561565992 /nfs/dbraw/zinc/56/59/92/561565992.db2.gz PGFKQORRBKMFQG-WOPDTQHZSA-N -1 3 370.427 2.469 20 5 FEBDHM COc1cc(CNC[C@@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000295138032 552962446 /nfs/dbraw/zinc/96/24/46/552962446.db2.gz PLCGCTWCMAWMSJ-AWEZNQCLSA-N -1 3 350.346 2.141 20 5 FEBDHM CC(=O)N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000502045544 561610810 /nfs/dbraw/zinc/61/08/10/561610810.db2.gz FNGSZWRNWDUSCL-UHFFFAOYSA-N -1 3 356.338 2.247 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)cc1[N+](=O)[O-] ZINC000295996767 553086964 /nfs/dbraw/zinc/08/69/64/553086964.db2.gz LWZAIYFQKXPQOR-LBPRGKRZSA-N -1 3 372.378 2.141 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000326104116 553779275 /nfs/dbraw/zinc/77/92/75/553779275.db2.gz BECXRRQJVJSFNK-LLVKDONJSA-N -1 3 358.416 2.484 20 5 FEBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507560629 561733281 /nfs/dbraw/zinc/73/32/81/561733281.db2.gz OJGZFDCGDCHUJC-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000330435702 554121769 /nfs/dbraw/zinc/12/17/69/554121769.db2.gz MBENPWZAXNBBTQ-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000330550582 554136572 /nfs/dbraw/zinc/13/65/72/554136572.db2.gz WVNNWKJRWMGCII-UHFFFAOYSA-N -1 3 350.343 2.460 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000332414703 554442461 /nfs/dbraw/zinc/44/24/61/554442461.db2.gz BCHUARAVUOFGRD-UKRRQHHQSA-N -1 3 358.416 2.085 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCCC1 ZINC000511215789 561861485 /nfs/dbraw/zinc/86/14/85/561861485.db2.gz VGXJRKRMICXWSM-UHFFFAOYSA-N -1 3 370.427 2.366 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cnn3ccccc23)c1[N+](=O)[O-] ZINC000511341611 561866066 /nfs/dbraw/zinc/86/60/66/561866066.db2.gz DNRLEOGQCSBLRH-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363611546 555147078 /nfs/dbraw/zinc/14/70/78/555147078.db2.gz MARZUYCCOWOOKV-MRXNPFEDSA-N -1 3 369.377 2.221 20 5 FEBDHM Cn1cc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000363894668 555208835 /nfs/dbraw/zinc/20/88/35/555208835.db2.gz HHUWVYOEYHSEAD-KRWDZBQOSA-N -1 3 372.406 2.396 20 5 FEBDHM COc1cc(CNCc2ccc(C[S@@](C)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000513068646 561924035 /nfs/dbraw/zinc/92/40/35/561924035.db2.gz KNAGASKBAKQOIQ-RUZDIDTESA-N -1 3 364.423 2.477 20 5 FEBDHM COc1cc(CNc2nccc(-c3cnn(C)c3)n2)c([N+](=O)[O-])cc1[O-] ZINC000365961212 555711716 /nfs/dbraw/zinc/71/17/16/555711716.db2.gz IBYUNNXUAMNEQX-UHFFFAOYSA-N -1 3 356.342 2.112 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000515200017 562000372 /nfs/dbraw/zinc/00/03/72/562000372.db2.gz SUNMFLATUVBNDH-AWEZNQCLSA-N -1 3 353.444 2.198 20 5 FEBDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000515525062 562014125 /nfs/dbraw/zinc/01/41/25/562014125.db2.gz UOABPEUBJYEEEY-UHFFFAOYSA-N -1 3 364.427 2.315 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000515760798 562021445 /nfs/dbraw/zinc/02/14/45/562021445.db2.gz NCMIVRUZXQVCIB-WFASDCNBSA-N -1 3 372.443 2.477 20 5 FEBDHM C[C@@H]1C[C@@H](C)CN(CCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892264 562147524 /nfs/dbraw/zinc/14/75/24/562147524.db2.gz VFMXIICNDMMRBH-CHWSQXEVSA-N -1 3 373.450 2.380 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C1 ZINC000392420622 558617245 /nfs/dbraw/zinc/61/72/45/558617245.db2.gz QOCXNMQMMDUNHM-SNVBAGLBSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2cn(CCC(C)C)nn2)cc([N+](=O)[O-])c1 ZINC000524859124 562236043 /nfs/dbraw/zinc/23/60/43/562236043.db2.gz FFEPYAIIOHMXMP-UHFFFAOYSA-N -1 3 361.358 2.271 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOCC1CCOCC1 ZINC000525386824 562246988 /nfs/dbraw/zinc/24/69/88/562246988.db2.gz KKFKUEHPVFHZAC-UHFFFAOYSA-N -1 3 372.443 2.015 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000416413083 559311228 /nfs/dbraw/zinc/31/12/28/559311228.db2.gz ONAGDCOFFTZRNV-KCJUWKMLSA-N -1 3 368.333 2.053 20 5 FEBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000416548923 559321013 /nfs/dbraw/zinc/32/10/13/559321013.db2.gz OZVKXSIHGBODLZ-LLVKDONJSA-N -1 3 368.436 2.419 20 5 FEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000416552145 559321322 /nfs/dbraw/zinc/32/13/22/559321322.db2.gz BGCYXDAZDUZBPF-STQMWFEESA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000416619680 559325623 /nfs/dbraw/zinc/32/56/23/559325623.db2.gz XSWFRTGPWDBBMT-ZDUSSCGKSA-N -1 3 368.386 2.097 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000430202668 559815286 /nfs/dbraw/zinc/81/52/86/559815286.db2.gz HBBOWLIICWADKP-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000435679327 559927953 /nfs/dbraw/zinc/92/79/53/559927953.db2.gz YEFZZLURABHFFM-UHFFFAOYSA-N -1 3 366.333 3.008 20 5 FEBDHM CN(C)CCOc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436777636 559951551 /nfs/dbraw/zinc/95/15/51/559951551.db2.gz NJBHKFYKCIQIEL-UHFFFAOYSA-N -1 3 373.409 2.213 20 5 FEBDHM CN1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cn2)CC1 ZINC000436897673 559955692 /nfs/dbraw/zinc/95/56/92/559955692.db2.gz BRTNLCSDGRBSQY-UHFFFAOYSA-N -1 3 372.381 2.421 20 5 FEBDHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000436949173 559957389 /nfs/dbraw/zinc/95/73/89/559957389.db2.gz XYHVCBSTDZXQQM-UHFFFAOYSA-N -1 3 369.377 2.335 20 5 FEBDHM CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cn2)CC1 ZINC000436962260 559957758 /nfs/dbraw/zinc/95/77/58/559957758.db2.gz WPAVQRAVOBNRFY-UHFFFAOYSA-N -1 3 372.381 2.421 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000439191778 559989663 /nfs/dbraw/zinc/98/96/63/559989663.db2.gz NLBAJJVUPGLBPM-CQSZACIVSA-N -1 3 372.443 2.423 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)no1 ZINC000443162136 560073351 /nfs/dbraw/zinc/07/33/51/560073351.db2.gz XQYDKHRKFBQMNG-UHFFFAOYSA-N -1 3 368.415 2.371 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c(Cl)c1 ZINC000443265128 560076759 /nfs/dbraw/zinc/07/67/59/560076759.db2.gz LYKLBAKMNWAKDT-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM NC(=O)c1cnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000443829474 560094145 /nfs/dbraw/zinc/09/41/45/560094145.db2.gz GDKZTDPHLSUFKY-UHFFFAOYSA-N -1 3 360.273 2.421 20 5 FEBDHM Cn1[n-]c([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1=N ZINC000450917558 560278400 /nfs/dbraw/zinc/27/84/00/560278400.db2.gz YAXPDGZBLXVVHD-LBPRGKRZSA-N -1 3 370.335 2.492 20 5 FEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000451332414 560300599 /nfs/dbraw/zinc/30/05/99/560300599.db2.gz VXYWKIDTJUDUNS-HNNXBMFYSA-N -1 3 358.354 2.771 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)cc1C ZINC000451859348 560333075 /nfs/dbraw/zinc/33/30/75/560333075.db2.gz SRSLNEGEHIZUIP-YOEHRIQHSA-N -1 3 368.455 2.287 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCCF)c1 ZINC000462122572 560798157 /nfs/dbraw/zinc/79/81/57/560798157.db2.gz UDFUSHIVGQIIOW-UHFFFAOYSA-N -1 3 355.185 2.385 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000466553705 560889821 /nfs/dbraw/zinc/88/98/21/560889821.db2.gz YBXGAABOIPNCTQ-JKSUJKDBSA-N -1 3 354.428 2.387 20 5 FEBDHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000466725679 560893800 /nfs/dbraw/zinc/89/38/00/560893800.db2.gz XPFNLUKVFNTJNJ-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000467061472 560902694 /nfs/dbraw/zinc/90/26/94/560902694.db2.gz AVYMYCJIBKSFRA-LBPRGKRZSA-N -1 3 356.425 2.019 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC1CC1 ZINC000468805413 560939322 /nfs/dbraw/zinc/93/93/22/560939322.db2.gz CDLKSQDQGKYRLG-SNVBAGLBSA-N -1 3 356.400 2.238 20 5 FEBDHM CO[C@@H](CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC000469304702 560952017 /nfs/dbraw/zinc/95/20/17/560952017.db2.gz QXVVPBFKJSUQLQ-NSHDSACASA-N -1 3 370.349 2.457 20 5 FEBDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000470706802 560987904 /nfs/dbraw/zinc/98/79/04/560987904.db2.gz VJXBDPUURXOINQ-UHFFFAOYSA-N -1 3 371.346 2.138 20 5 FEBDHM COc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000474594660 561077777 /nfs/dbraw/zinc/07/77/77/561077777.db2.gz OPIDHRJCEMUHII-UHFFFAOYSA-N -1 3 365.367 2.227 20 5 FEBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000533553214 562512881 /nfs/dbraw/zinc/51/28/81/562512881.db2.gz XQFXZBNWRGKFAW-OAHLLOKOSA-N -1 3 350.396 2.224 20 5 FEBDHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570338547 568473761 /nfs/dbraw/zinc/47/37/61/568473761.db2.gz XQUVMFQRMBLMSJ-OAHLLOKOSA-N -1 3 360.366 2.165 20 5 FEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820281632 599059767 /nfs/dbraw/zinc/05/97/67/599059767.db2.gz WWQJXWGEFWIPLA-VIFPVBQESA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820281632 599059770 /nfs/dbraw/zinc/05/97/70/599059770.db2.gz WWQJXWGEFWIPLA-VIFPVBQESA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280355 599066716 /nfs/dbraw/zinc/06/67/16/599066716.db2.gz DTJSUXVBMBNTDD-SECBINFHSA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280355 599066720 /nfs/dbraw/zinc/06/67/20/599066720.db2.gz DTJSUXVBMBNTDD-SECBINFHSA-N -1 3 359.321 2.188 20 5 FEBDHM O=[N+]([O-])c1c(NCc2cc(-c3nnn[n-]3)ccc2F)nc2ccccn21 ZINC000823630039 599071094 /nfs/dbraw/zinc/07/10/94/599071094.db2.gz QHFLRPOEOBCUOB-UHFFFAOYSA-N -1 3 354.305 2.174 20 5 FEBDHM O=[N+]([O-])c1c(NCc2cc(-c3nn[n-]n3)ccc2F)nc2ccccn21 ZINC000823630039 599071097 /nfs/dbraw/zinc/07/10/97/599071097.db2.gz QHFLRPOEOBCUOB-UHFFFAOYSA-N -1 3 354.305 2.174 20 5 FEBDHM O=[N+]([O-])c1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000823639962 599229241 /nfs/dbraw/zinc/22/92/41/599229241.db2.gz NPNFCHVFDXCJMH-UHFFFAOYSA-N -1 3 373.373 2.401 20 5 FEBDHM O=[N+]([O-])c1ccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000823639962 599229244 /nfs/dbraw/zinc/22/92/44/599229244.db2.gz NPNFCHVFDXCJMH-UHFFFAOYSA-N -1 3 373.373 2.401 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000738369679 598244456 /nfs/dbraw/zinc/24/44/56/598244456.db2.gz LZJZAHXBJDHMDG-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000738369679 598244457 /nfs/dbraw/zinc/24/44/57/598244457.db2.gz LZJZAHXBJDHMDG-UHFFFAOYSA-N -1 3 357.399 2.163 20 5 FEBDHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000737227416 598310401 /nfs/dbraw/zinc/31/04/01/598310401.db2.gz KZHUTVZEDSNDRE-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000737227416 598310403 /nfs/dbraw/zinc/31/04/03/598310403.db2.gz KZHUTVZEDSNDRE-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM CC(C)c1nc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000735941445 598352273 /nfs/dbraw/zinc/35/22/73/598352273.db2.gz YTNDDGYRDRRYMD-UHFFFAOYSA-N -1 3 360.403 2.404 20 5 FEBDHM CC(C)c1nc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000735941445 598352275 /nfs/dbraw/zinc/35/22/75/598352275.db2.gz YTNDDGYRDRRYMD-UHFFFAOYSA-N -1 3 360.403 2.404 20 5 FEBDHM Cc1c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826234838 607358975 /nfs/dbraw/zinc/35/89/75/607358975.db2.gz PYEDGIRAKVHSSQ-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826234838 607358977 /nfs/dbraw/zinc/35/89/77/607358977.db2.gz PYEDGIRAKVHSSQ-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738222887 598583845 /nfs/dbraw/zinc/58/38/45/598583845.db2.gz PAXCUUDKHWLLCI-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738222887 598583847 /nfs/dbraw/zinc/58/38/47/598583847.db2.gz PAXCUUDKHWLLCI-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738229814 598584233 /nfs/dbraw/zinc/58/42/33/598584233.db2.gz ATYOFWSEEIAEOT-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738229814 598584235 /nfs/dbraw/zinc/58/42/35/598584235.db2.gz ATYOFWSEEIAEOT-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737373274 598603470 /nfs/dbraw/zinc/60/34/70/598603470.db2.gz SDGMKPLAHROEAD-UHFFFAOYSA-N -1 3 371.332 2.273 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737373274 598603471 /nfs/dbraw/zinc/60/34/71/598603471.db2.gz SDGMKPLAHROEAD-UHFFFAOYSA-N -1 3 371.332 2.273 20 5 FEBDHM C[C@H](c1ccccc1)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736200901 598628055 /nfs/dbraw/zinc/62/80/55/598628055.db2.gz FNTNVDWKZPJSAV-BZNIZROVSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@H](c1ccccc1)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736200901 598628058 /nfs/dbraw/zinc/62/80/58/598628058.db2.gz FNTNVDWKZPJSAV-BZNIZROVSA-N -1 3 354.370 2.351 20 5 FEBDHM CN(CC(=O)N(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736780216 598674952 /nfs/dbraw/zinc/67/49/52/598674952.db2.gz PPVANWLQUGTELT-UHFFFAOYSA-N -1 3 373.417 2.002 20 5 FEBDHM CN(CC(=O)N(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736780216 598674954 /nfs/dbraw/zinc/67/49/54/598674954.db2.gz PPVANWLQUGTELT-UHFFFAOYSA-N -1 3 373.417 2.002 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)Br)cc1[N+](=O)[O-] ZINC000808572518 674463471 /nfs/dbraw/zinc/46/34/71/674463471.db2.gz FRWDYJFTXNFANO-UHFFFAOYSA-N -1 3 359.148 2.169 20 5 FEBDHM COc1cccc(OCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737142497 599528426 /nfs/dbraw/zinc/52/84/26/599528426.db2.gz WAXLWAQASWTZCK-UHFFFAOYSA-N -1 3 371.357 2.060 20 5 FEBDHM COc1cccc(OCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737142497 599528427 /nfs/dbraw/zinc/52/84/27/599528427.db2.gz WAXLWAQASWTZCK-UHFFFAOYSA-N -1 3 371.357 2.060 20 5 FEBDHM CC[C@@H](C)[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859495 599552262 /nfs/dbraw/zinc/55/22/62/599552262.db2.gz FIBNHRCOTZGAJU-OTYXRUKQSA-N -1 3 357.374 2.142 20 5 FEBDHM CC[C@@H](C)[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859495 599552264 /nfs/dbraw/zinc/55/22/64/599552264.db2.gz FIBNHRCOTZGAJU-OTYXRUKQSA-N -1 3 357.374 2.142 20 5 FEBDHM Cc1c(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236503 607391010 /nfs/dbraw/zinc/39/10/10/607391010.db2.gz OYDCGLJRLWZQBV-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1c(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236503 607391012 /nfs/dbraw/zinc/39/10/12/607391012.db2.gz OYDCGLJRLWZQBV-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833173861 601013766 /nfs/dbraw/zinc/01/37/66/601013766.db2.gz WYOAWSHXLROBAI-BZNIZROVSA-N -1 3 360.345 2.441 20 5 FEBDHM COc1ccc(COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206405 607594491 /nfs/dbraw/zinc/59/44/91/607594491.db2.gz RNBULRLSTLNMHV-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206405 607594493 /nfs/dbraw/zinc/59/44/93/607594493.db2.gz RNBULRLSTLNMHV-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM C[C@@H](O)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698459 607737938 /nfs/dbraw/zinc/73/79/38/607737938.db2.gz LETVPWHJCGTZPR-MNOVXSKESA-N -1 3 369.385 2.063 20 5 FEBDHM C[C@@H](O)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698459 607737939 /nfs/dbraw/zinc/73/79/39/607737939.db2.gz LETVPWHJCGTZPR-MNOVXSKESA-N -1 3 369.385 2.063 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446988 606104740 /nfs/dbraw/zinc/10/47/40/606104740.db2.gz GUJPIIYWZFKQBS-FIRCGALFSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821446988 606104743 /nfs/dbraw/zinc/10/47/43/606104743.db2.gz GUJPIIYWZFKQBS-FIRCGALFSA-N -1 3 364.431 2.267 20 5 FEBDHM Cc1cccn2cc(CCNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])nc12 ZINC000822366131 606139183 /nfs/dbraw/zinc/13/91/83/606139183.db2.gz CNRZUZSDSLMTGD-UHFFFAOYSA-N -1 3 364.369 2.386 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCSC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823651792 606201236 /nfs/dbraw/zinc/20/12/36/606201236.db2.gz QRWNBJIAKNEYLI-UHFFFAOYSA-N -1 3 361.431 2.426 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCSC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823651792 606201238 /nfs/dbraw/zinc/20/12/38/606201238.db2.gz QRWNBJIAKNEYLI-UHFFFAOYSA-N -1 3 361.431 2.426 20 5 FEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823547214 606244264 /nfs/dbraw/zinc/24/42/64/606244264.db2.gz GWRHJKVNJCRPJP-WUXMJOGZSA-N -1 3 368.334 2.181 20 5 FEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823547214 606244266 /nfs/dbraw/zinc/24/42/66/606244266.db2.gz GWRHJKVNJCRPJP-WUXMJOGZSA-N -1 3 368.334 2.181 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000823630498 606439612 /nfs/dbraw/zinc/43/96/12/606439612.db2.gz YMJAEIPRYBQSFN-UHFFFAOYSA-N -1 3 368.332 2.445 20 5 FEBDHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821610882 606477248 /nfs/dbraw/zinc/47/72/48/606477248.db2.gz JARVBEMLVCKKHR-SANMLTNESA-N -1 3 372.410 2.149 20 5 FEBDHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821610882 606477250 /nfs/dbraw/zinc/47/72/50/606477250.db2.gz JARVBEMLVCKKHR-SANMLTNESA-N -1 3 372.410 2.149 20 5 FEBDHM CN(Cc1nc2ccccc2n1C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821617821 606645467 /nfs/dbraw/zinc/64/54/67/606645467.db2.gz DCTYJZISGSCQTG-UHFFFAOYSA-N -1 3 364.369 2.298 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccncc3)cc(-c3nnn[n-]3)c2c1 ZINC000823643793 606822732 /nfs/dbraw/zinc/82/27/32/606822732.db2.gz BALJKZKRECYLRB-UHFFFAOYSA-N -1 3 362.353 2.373 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccncc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643793 606822734 /nfs/dbraw/zinc/82/27/34/606822734.db2.gz BALJKZKRECYLRB-UHFFFAOYSA-N -1 3 362.353 2.373 20 5 FEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000823413579 606868735 /nfs/dbraw/zinc/86/87/35/606868735.db2.gz KFQYAKRDULQMKX-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000823413579 606868736 /nfs/dbraw/zinc/86/87/36/606868736.db2.gz KFQYAKRDULQMKX-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2csc(-c3ccco3)n2)c(-c2nnn[n-]2)c1 ZINC000823651980 606880755 /nfs/dbraw/zinc/88/07/55/606880755.db2.gz UPTLNUCRHADUTH-UHFFFAOYSA-N -1 3 370.354 2.499 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2csc(-c3ccco3)n2)c(-c2nn[n-]n2)c1 ZINC000823651980 606880756 /nfs/dbraw/zinc/88/07/56/606880756.db2.gz UPTLNUCRHADUTH-UHFFFAOYSA-N -1 3 370.354 2.499 20 5 FEBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000823405805 606943098 /nfs/dbraw/zinc/94/30/98/606943098.db2.gz VPHGCPNEBDZRCA-UHFFFAOYSA-N -1 3 369.337 2.401 20 5 FEBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000823405805 606943099 /nfs/dbraw/zinc/94/30/99/606943099.db2.gz VPHGCPNEBDZRCA-UHFFFAOYSA-N -1 3 369.337 2.401 20 5 FEBDHM CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573091 606964864 /nfs/dbraw/zinc/96/48/64/606964864.db2.gz ADAREINSBAIVCV-UHFFFAOYSA-N -1 3 361.749 2.043 20 5 FEBDHM CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573091 606964865 /nfs/dbraw/zinc/96/48/65/606964865.db2.gz ADAREINSBAIVCV-UHFFFAOYSA-N -1 3 361.749 2.043 20 5 FEBDHM COc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821773077 606990572 /nfs/dbraw/zinc/99/05/72/606990572.db2.gz ZIASROGBMRXPKO-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821773077 606990574 /nfs/dbraw/zinc/99/05/74/606990574.db2.gz ZIASROGBMRXPKO-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1C1CCCCC1 ZINC000823512131 607035509 /nfs/dbraw/zinc/03/55/09/607035509.db2.gz LFMRFMPRCPBOCQ-OAHLLOKOSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1C1CCCCC1 ZINC000823512131 607035511 /nfs/dbraw/zinc/03/55/11/607035511.db2.gz LFMRFMPRCPBOCQ-OAHLLOKOSA-N -1 3 371.401 2.120 20 5 FEBDHM C[C@H](O)C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473709 607046084 /nfs/dbraw/zinc/04/60/84/607046084.db2.gz JYCQCDUIDHKINV-WCQYABFASA-N -1 3 369.385 2.137 20 5 FEBDHM C[C@H](O)C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473709 607046086 /nfs/dbraw/zinc/04/60/86/607046086.db2.gz JYCQCDUIDHKINV-WCQYABFASA-N -1 3 369.385 2.137 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821589556 607247018 /nfs/dbraw/zinc/24/70/18/607247018.db2.gz SQUUZQBOWHULSM-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821589556 607247019 /nfs/dbraw/zinc/24/70/19/607247019.db2.gz SQUUZQBOWHULSM-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825380803 607799310 /nfs/dbraw/zinc/79/93/10/607799310.db2.gz UECWUJKJQCFRAE-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825380803 607799311 /nfs/dbraw/zinc/79/93/11/607799311.db2.gz UECWUJKJQCFRAE-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826004367 607848459 /nfs/dbraw/zinc/84/84/59/607848459.db2.gz UNWLVOLGHQLIKX-UHFFFAOYSA-N -1 3 368.332 2.358 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000824669946 607850098 /nfs/dbraw/zinc/85/00/98/607850098.db2.gz IYCKVPCKBUPWJX-RNCFNFMXSA-N -1 3 353.342 2.147 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824669946 607850099 /nfs/dbraw/zinc/85/00/99/607850099.db2.gz IYCKVPCKBUPWJX-RNCFNFMXSA-N -1 3 353.342 2.147 20 5 FEBDHM COCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826148033 608160901 /nfs/dbraw/zinc/16/09/01/608160901.db2.gz WAUHNKFXOOGDCJ-UHFFFAOYSA-N -1 3 354.754 2.039 20 5 FEBDHM COCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826148033 608160902 /nfs/dbraw/zinc/16/09/02/608160902.db2.gz WAUHNKFXOOGDCJ-UHFFFAOYSA-N -1 3 354.754 2.039 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000826173121 608260815 /nfs/dbraw/zinc/26/08/15/608260815.db2.gz OBDWERLCEBJMOI-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000826173121 608260817 /nfs/dbraw/zinc/26/08/17/608260817.db2.gz OBDWERLCEBJMOI-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000826171949 608362219 /nfs/dbraw/zinc/36/22/19/608362219.db2.gz GOQBFIATCMTMNV-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000826171949 608362220 /nfs/dbraw/zinc/36/22/20/608362220.db2.gz GOQBFIATCMTMNV-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCO1 ZINC000824651260 608364030 /nfs/dbraw/zinc/36/40/30/608364030.db2.gz YGUDGJVDRGZIPZ-LKFCYVNXSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCO1 ZINC000824651260 608364032 /nfs/dbraw/zinc/36/40/32/608364032.db2.gz YGUDGJVDRGZIPZ-LKFCYVNXSA-N -1 3 355.358 2.303 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000826498552 608725719 /nfs/dbraw/zinc/72/57/19/608725719.db2.gz AGKJAVLLOLYYEM-UHFFFAOYSA-N -1 3 370.369 2.411 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824296081 609200289 /nfs/dbraw/zinc/20/02/89/609200289.db2.gz DOTOUTVSEKUHCL-UHFFFAOYSA-N -1 3 355.358 2.154 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824296081 609200290 /nfs/dbraw/zinc/20/02/90/609200290.db2.gz DOTOUTVSEKUHCL-UHFFFAOYSA-N -1 3 355.358 2.154 20 5 FEBDHM COc1ccc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1-c1nnn[n-]1 ZINC000826208512 609499765 /nfs/dbraw/zinc/49/97/65/609499765.db2.gz ODAMBVJMMIWCDO-UHFFFAOYSA-N -1 3 365.353 2.490 20 5 FEBDHM COc1ccc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1-c1nn[n-]n1 ZINC000826208512 609499767 /nfs/dbraw/zinc/49/97/67/609499767.db2.gz ODAMBVJMMIWCDO-UHFFFAOYSA-N -1 3 365.353 2.490 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc(C)n1 ZINC000560017857 674564026 /nfs/dbraw/zinc/56/40/26/674564026.db2.gz XKHMDILHBRYLEY-UHFFFAOYSA-N -1 3 350.400 2.097 20 5 FEBDHM C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000563437220 674888160 /nfs/dbraw/zinc/88/81/60/674888160.db2.gz WGQHHNBXUOZKAL-GFCCVEGCSA-N -1 3 359.423 2.133 20 5 FEBDHM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000116902592 670909435 /nfs/dbraw/zinc/90/94/35/670909435.db2.gz YZPINLDCFSUNDS-NRFANRHFSA-N -1 3 368.864 2.074 20 5 FEBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609447129 675922526 /nfs/dbraw/zinc/92/25/26/675922526.db2.gz VHWVGDWCPXUHFG-UHFFFAOYSA-N -1 3 353.331 2.358 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1F ZINC000159117325 672277769 /nfs/dbraw/zinc/27/77/69/672277769.db2.gz YYPOMWCDDUAETC-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM O=[N+]([O-])c1ncccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000611030776 676013132 /nfs/dbraw/zinc/01/31/32/676013132.db2.gz VSBKSSHIVMOJLX-UHFFFAOYSA-N -1 3 362.820 2.095 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CCN2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591968 672594494 /nfs/dbraw/zinc/59/44/94/672594494.db2.gz WIMATIBBKHIKRV-NSHDSACASA-N -1 3 359.423 2.053 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1C ZINC000593534505 672936267 /nfs/dbraw/zinc/93/62/67/672936267.db2.gz BOJYPEDOIKTULB-UHFFFAOYSA-N -1 3 364.427 2.103 20 5 FEBDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593558679 672942595 /nfs/dbraw/zinc/94/25/95/672942595.db2.gz YZCDKECSXSHNLY-LBPRGKRZSA-N -1 3 351.384 2.044 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCC2)nc1 ZINC000593613055 672958270 /nfs/dbraw/zinc/95/82/70/672958270.db2.gz QLSFKOLDVLVMRB-UHFFFAOYSA-N -1 3 351.359 2.487 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000612675579 676092894 /nfs/dbraw/zinc/09/28/94/676092894.db2.gz XZUCJEJXKSPCMI-CQSZACIVSA-N -1 3 372.349 2.026 20 5 FEBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594831811 673155812 /nfs/dbraw/zinc/15/58/12/673155812.db2.gz WOEHEFCHPHFFQH-MGCOHNPYSA-N -1 3 368.333 2.459 20 5 FEBDHM O=C(c1cccc(Cl)c1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596072210 673356119 /nfs/dbraw/zinc/35/61/19/673356119.db2.gz ZSEYYVITLXGKRT-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM O=c1[n-]ccc(N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1[N+](=O)[O-] ZINC000596161787 673364345 /nfs/dbraw/zinc/36/43/45/673364345.db2.gz JSHMCOILNYFQNK-UHFFFAOYSA-N -1 3 362.773 2.198 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000545362159 673763142 /nfs/dbraw/zinc/76/31/42/673763142.db2.gz IMAPCPXUAGGQJI-CYBMUJFWSA-N -1 3 354.359 2.400 20 5 FEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822665337 675499398 /nfs/dbraw/zinc/49/93/98/675499398.db2.gz OIAYJOXIVRACOI-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822665337 675499400 /nfs/dbraw/zinc/49/94/00/675499400.db2.gz OIAYJOXIVRACOI-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM O=[N+]([O-])c1ccn(CCSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826500923 675689443 /nfs/dbraw/zinc/68/94/43/675689443.db2.gz RPRKWICVLUZYDL-UHFFFAOYSA-N -1 3 351.779 2.417 20 5 FEBDHM O=[N+]([O-])c1ccn(CCSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826500923 675689445 /nfs/dbraw/zinc/68/94/45/675689445.db2.gz RPRKWICVLUZYDL-UHFFFAOYSA-N -1 3 351.779 2.417 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccco1 ZINC000619495773 676381419 /nfs/dbraw/zinc/38/14/19/676381419.db2.gz XTAALJSPVWUTKP-NSHDSACASA-N -1 3 370.383 2.253 20 5 FEBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N-]C(=O)c1cccs1 ZINC000763718626 680790899 /nfs/dbraw/zinc/79/08/99/680790899.db2.gz VTVYMBMLWNZYNS-UHFFFAOYSA-N -1 3 368.754 2.423 20 5 FEBDHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000760325665 680683075 /nfs/dbraw/zinc/68/30/75/680683075.db2.gz PJJOBXSEGDSOBQ-UHFFFAOYSA-N -1 3 373.774 2.461 20 5 FEBDHM COC(=O)[C@@](C)([N-]S(=O)(=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000859369662 683095713 /nfs/dbraw/zinc/09/57/13/683095713.db2.gz IYNJIJGPGZWTFO-INIZCTEOSA-N -1 3 370.427 2.235 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)Cc2ccccc2)c(F)c1 ZINC000799830382 683502049 /nfs/dbraw/zinc/50/20/49/683502049.db2.gz QJVKKZYBBGFIKS-ZDUSSCGKSA-N -1 3 368.386 2.006 20 5 FEBDHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OC1CCOCC1 ZINC000867492427 684294617 /nfs/dbraw/zinc/29/46/17/684294617.db2.gz GTJJZVFSXKOCHP-UHFFFAOYSA-N -1 3 359.176 2.127 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2(C)CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000882574310 687399980 /nfs/dbraw/zinc/39/99/80/687399980.db2.gz FNBIWLQKJWAIRW-UHFFFAOYSA-N -1 3 350.343 2.317 20 5 FEBDHM COc1c([O-])ccc(CN2CCO[C@](C)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895824774 689776141 /nfs/dbraw/zinc/77/61/41/689776141.db2.gz AJZVBXYXRZXYPQ-ZDUSSCGKSA-N -1 3 350.293 2.462 20 5 FEBDHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524418973 539645102 /nfs/dbraw/zinc/64/51/02/539645102.db2.gz PEKSIGPZYXZLIU-UHFFFAOYSA-N -1 3 367.321 2.403 20 5 FEBDHM COc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000018077023 539646142 /nfs/dbraw/zinc/64/61/42/539646142.db2.gz CGNXIEMQASPPOX-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM CCc1nnc([N-]C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)s1 ZINC000021289599 539681891 /nfs/dbraw/zinc/68/18/91/539681891.db2.gz ANWFCWLVAHSMPB-UHFFFAOYSA-N -1 3 359.371 2.150 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000045805919 540229341 /nfs/dbraw/zinc/22/93/41/540229341.db2.gz IJXOQSULMLUFCU-UHFFFAOYSA-N -1 3 370.427 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000052782452 540489256 /nfs/dbraw/zinc/48/92/56/540489256.db2.gz AMSJENLPPUYKIB-LLVKDONJSA-N -1 3 354.384 2.496 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000055216032 540635993 /nfs/dbraw/zinc/63/59/93/540635993.db2.gz OEFOFWQWKFTXNU-LBPRGKRZSA-N -1 3 373.431 2.377 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(OC)c1 ZINC000056122122 540705079 /nfs/dbraw/zinc/70/50/79/540705079.db2.gz FVUDIYYTXAJLDW-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c2)n1 ZINC000064337067 541201999 /nfs/dbraw/zinc/20/19/99/541201999.db2.gz VKPDVSUXSJKFGA-UHFFFAOYSA-N -1 3 368.353 2.191 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327222 541302345 /nfs/dbraw/zinc/30/23/45/541302345.db2.gz RYZSDZZMKDGFPU-GFCCVEGCSA-N -1 3 355.441 2.238 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000080799907 542609173 /nfs/dbraw/zinc/60/91/73/542609173.db2.gz DIDPPPWZPKMIJR-UHFFFAOYSA-N -1 3 350.396 2.398 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000083995663 542706720 /nfs/dbraw/zinc/70/67/20/542706720.db2.gz MXMMQALQSYRHLZ-SECBINFHSA-N -1 3 358.807 2.330 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(C3CC3)C2)cc1C ZINC000126218569 543924384 /nfs/dbraw/zinc/92/43/84/543924384.db2.gz MMJSVYZBSVYEHG-QWHCGFSZSA-N -1 3 353.444 2.115 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC(F)(F)F)cc1C ZINC000126297735 543928376 /nfs/dbraw/zinc/92/83/76/543928376.db2.gz LALRIEDVDWMWSQ-UHFFFAOYSA-N -1 3 370.349 2.459 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000129237462 544099132 /nfs/dbraw/zinc/09/91/32/544099132.db2.gz GHAXXQJYUXLQFZ-CZUORRHYSA-N -1 3 364.423 2.174 20 5 FEBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134538497 544311811 /nfs/dbraw/zinc/31/18/11/544311811.db2.gz CLJDWURMMPQKBR-UHFFFAOYSA-N -1 3 365.309 2.411 20 5 FEBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134538497 544311814 /nfs/dbraw/zinc/31/18/14/544311814.db2.gz CLJDWURMMPQKBR-UHFFFAOYSA-N -1 3 365.309 2.411 20 5 FEBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134538497 544311815 /nfs/dbraw/zinc/31/18/15/544311815.db2.gz CLJDWURMMPQKBR-UHFFFAOYSA-N -1 3 365.309 2.411 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1C ZINC000152200562 544624843 /nfs/dbraw/zinc/62/48/43/544624843.db2.gz VOGHIIZVFRBECH-UHFFFAOYSA-N -1 3 359.404 2.328 20 5 FEBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1n[nH]cc1[N+](=O)[O-] ZINC000803636650 674252917 /nfs/dbraw/zinc/25/29/17/674252917.db2.gz CSFRYDMLLFJKOD-UHFFFAOYSA-N -1 3 356.092 2.241 20 5 FEBDHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000553559960 674271035 /nfs/dbraw/zinc/27/10/35/674271035.db2.gz FMGUJMQIPHKBSY-SECBINFHSA-N -1 3 370.349 2.156 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000184908960 327888613 /nfs/dbraw/zinc/88/86/13/327888613.db2.gz QYNKLPYZHBPLPA-HONMWMINSA-N -1 3 358.391 2.134 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1O ZINC000188133003 328068424 /nfs/dbraw/zinc/06/84/24/328068424.db2.gz KLWIQYKMEPXKNH-MNOVXSKESA-N -1 3 368.333 2.051 20 5 FEBDHM COc1ccc([N-]C(=O)c2cn(Cc3ccccc3)nn2)c([N+](=O)[O-])c1 ZINC000078518365 325049236 /nfs/dbraw/zinc/04/92/36/325049236.db2.gz XQVRGYPYAQHKCQ-UHFFFAOYSA-N -1 3 353.338 2.496 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)cc1C ZINC000118959952 326113155 /nfs/dbraw/zinc/11/31/55/326113155.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(F)c1 ZINC000172285581 327192586 /nfs/dbraw/zinc/19/25/86/327192586.db2.gz ZGSTYAGZVMTHFE-UHFFFAOYSA-N -1 3 366.370 2.190 20 5 FEBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000173813643 327286108 /nfs/dbraw/zinc/28/61/08/327286108.db2.gz FMQMAJPFGDUUII-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc1C ZINC000173965873 327298089 /nfs/dbraw/zinc/29/80/89/327298089.db2.gz PRUDJEGXWPBCNZ-UHFFFAOYSA-N -1 3 360.342 2.282 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000248480023 328722065 /nfs/dbraw/zinc/72/20/65/328722065.db2.gz QYNKLPYZHBPLPA-LERXQTSPSA-N -1 3 358.391 2.134 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC2CCOCC2)cc1C ZINC000266226477 329202414 /nfs/dbraw/zinc/20/24/14/329202414.db2.gz SXOLYDQPZBDUJM-UHFFFAOYSA-N -1 3 372.443 2.076 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc([C@@H](C)O)cc1 ZINC000269761294 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ZINC000296751625 553206759 /nfs/dbraw/zinc/20/67/59/553206759.db2.gz PSNCQKZXICSYTL-NSHDSACASA-N -1 3 351.384 2.428 20 5 FEBDHM CSc1nnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]1 ZINC000299600060 553586850 /nfs/dbraw/zinc/58/68/50/553586850.db2.gz XOCWIWACGWOPRS-UHFFFAOYSA-N -1 3 362.415 2.290 20 5 FEBDHM CSc1n[n-]c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000299600060 553586855 /nfs/dbraw/zinc/58/68/55/553586855.db2.gz XOCWIWACGWOPRS-UHFFFAOYSA-N -1 3 362.415 2.290 20 5 FEBDHM CSc1nc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n[n-]1 ZINC000299600060 553586858 /nfs/dbraw/zinc/58/68/58/553586858.db2.gz XOCWIWACGWOPRS-UHFFFAOYSA-N -1 3 362.415 2.290 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000327849028 553791916 /nfs/dbraw/zinc/79/19/16/553791916.db2.gz FUMPRKUNPNIHDZ-QIMFLAQGSA-N -1 3 368.411 2.238 20 5 FEBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429087 554120770 /nfs/dbraw/zinc/12/07/70/554120770.db2.gz ICPNKUJJGFFUKP-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000330491452 554128337 /nfs/dbraw/zinc/12/83/37/554128337.db2.gz NSGDCNQGNMZFGM-WBMJQRKESA-N -1 3 370.427 2.303 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2nc(C(C)C)no2)c([N+](=O)[O-])c1 ZINC000509775880 561813718 /nfs/dbraw/zinc/81/37/18/561813718.db2.gz HVJIQAAXKIMJHP-UHFFFAOYSA-N -1 3 368.415 2.321 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000510518662 561837374 /nfs/dbraw/zinc/83/73/74/561837374.db2.gz FNTCOSSVEDWHRJ-UHFFFAOYSA-N -1 3 354.306 2.224 20 5 FEBDHM CN(C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)ccn1 ZINC000350652450 554804316 /nfs/dbraw/zinc/80/43/16/554804316.db2.gz XNZFMQBNTPBSBE-UHFFFAOYSA-N -1 3 371.353 2.353 20 5 FEBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1noc(-c2ccccc2[O-])n1 ZINC000368545234 556341183 /nfs/dbraw/zinc/34/11/83/556341183.db2.gz UVJYOCWYEWASFO-UHFFFAOYSA-N -1 3 366.289 2.147 20 5 FEBDHM O=C([N-]C1=NCCS1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000376736780 558214955 /nfs/dbraw/zinc/21/49/55/558214955.db2.gz MVQGZMMSVGRQLD-UKRRQHHQSA-N -1 3 360.439 2.345 20 5 FEBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1occ2c1CCOC2 ZINC000376737930 558215195 /nfs/dbraw/zinc/21/51/95/558215195.db2.gz ZUTXTWSFHDPVIY-UHFFFAOYSA-N -1 3 355.310 2.298 20 5 FEBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ncc([N+](=O)[O-])s3)c2)[n-]1 ZINC000409642963 558710117 /nfs/dbraw/zinc/71/01/17/558710117.db2.gz AFGXGZYCWAESLH-UHFFFAOYSA-N -1 3 374.382 2.625 20 5 FEBDHM CCOC(=O)c1nc(-c2cccc(CNc3ncc([N+](=O)[O-])s3)c2)n[n-]1 ZINC000409642963 558710120 /nfs/dbraw/zinc/71/01/20/558710120.db2.gz AFGXGZYCWAESLH-UHFFFAOYSA-N -1 3 374.382 2.625 20 5 FEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CC(C)C ZINC000525127149 562241013 /nfs/dbraw/zinc/24/10/13/562241013.db2.gz RWWALKNEUAYMBW-CYBMUJFWSA-N -1 3 372.443 2.325 20 5 FEBDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416237675 559300421 /nfs/dbraw/zinc/30/04/21/559300421.db2.gz CLMRDFHFMOQZIJ-UHFFFAOYSA-N -1 3 362.342 2.354 20 5 FEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459847 559314529 /nfs/dbraw/zinc/31/45/29/559314529.db2.gz KSBFPDJMNAUTQZ-IUCAKERBSA-N -1 3 370.349 2.299 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416463853 559315021 /nfs/dbraw/zinc/31/50/21/559315021.db2.gz FBNPVAVVGYRDLI-ZETCQYMHSA-N -1 3 370.305 2.001 20 5 FEBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416469874 559315562 /nfs/dbraw/zinc/31/55/62/559315562.db2.gz KWHXGWXFABWSTN-VHSXEESVSA-N -1 3 368.333 2.459 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000416492278 559317321 /nfs/dbraw/zinc/31/73/21/559317321.db2.gz CLBSUIQJVCVPGO-CBAPKCEASA-N -1 3 356.322 2.051 20 5 FEBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493849 559317411 /nfs/dbraw/zinc/31/74/11/559317411.db2.gz GRXFKIJBXOHBFO-GXSJLCMTSA-N -1 3 370.349 2.441 20 5 FEBDHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416499347 559318022 /nfs/dbraw/zinc/31/80/22/559318022.db2.gz YIHOUOZLPSYYAB-QMMMGPOBSA-N -1 3 370.349 2.441 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)[nH]2)cc1C ZINC000416543367 559320733 /nfs/dbraw/zinc/32/07/33/559320733.db2.gz MPAUVBAPUFLCAF-UHFFFAOYSA-N -1 3 367.431 2.106 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c([N+](=O)[O-])c1 ZINC000416626294 559325908 /nfs/dbraw/zinc/32/59/08/559325908.db2.gz CSAPJNREIXQAPL-UHFFFAOYSA-N -1 3 354.413 2.111 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000416642189 559327045 /nfs/dbraw/zinc/32/70/45/559327045.db2.gz FGVFVACSHRCHDR-AWEZNQCLSA-N -1 3 364.379 2.153 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000420711686 559499916 /nfs/dbraw/zinc/49/99/16/559499916.db2.gz ZAYJGRJVLJSWJZ-NSHDSACASA-N -1 3 372.468 2.415 20 5 FEBDHM COC1([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000420764568 559503061 /nfs/dbraw/zinc/50/30/61/559503061.db2.gz PFGAMLHSEKXSRN-ZDUSSCGKSA-N -1 3 372.443 2.074 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000425247531 559693164 /nfs/dbraw/zinc/69/31/64/559693164.db2.gz ZSMGQLCLBCUEIQ-DIYOJNKTSA-N -1 3 361.217 2.434 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(=O)NC)cc2Cl)n1 ZINC000427363083 559754087 /nfs/dbraw/zinc/75/40/87/559754087.db2.gz SIIBTEFFRUTAFC-UHFFFAOYSA-N -1 3 351.750 2.077 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC000428380658 559774410 /nfs/dbraw/zinc/77/44/10/559774410.db2.gz DIMGPMBZPQBVSB-ZDUSSCGKSA-N -1 3 362.407 2.363 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1 ZINC000431086757 559833763 /nfs/dbraw/zinc/83/37/63/559833763.db2.gz SCEUDFAPELGLKY-OAHLLOKOSA-N -1 3 364.423 2.033 20 5 FEBDHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000433880133 559889549 /nfs/dbraw/zinc/88/95/49/559889549.db2.gz ZLNSZAXLDSLFMN-SCXUMTSISA-N -1 3 370.427 2.388 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434757129 559908695 /nfs/dbraw/zinc/90/86/95/559908695.db2.gz MFNXRXZSHIOZRF-UHFFFAOYSA-N -1 3 368.411 2.383 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436829951 559953418 /nfs/dbraw/zinc/95/34/18/559953418.db2.gz BZNQFRNWUUFYQB-OAHLLOKOSA-N -1 3 357.366 2.119 20 5 FEBDHM Cn1cccc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000439240655 559990633 /nfs/dbraw/zinc/99/06/33/559990633.db2.gz VHAHXONYUYWFBF-UHFFFAOYSA-N -1 3 374.216 2.174 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C ZINC000443232240 560075462 /nfs/dbraw/zinc/07/54/62/560075462.db2.gz BMBBZZMQAPZQTD-OAHLLOKOSA-N -1 3 360.432 2.069 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C ZINC000443249159 560076111 /nfs/dbraw/zinc/07/61/11/560076111.db2.gz MCQQYQIHXBRRRE-OAHLLOKOSA-N -1 3 360.432 2.069 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)c([N+](=O)[O-])c1 ZINC000443248378 560076119 /nfs/dbraw/zinc/07/61/19/560076119.db2.gz MOZGSXMIRGFVHS-HNNXBMFYSA-N -1 3 360.432 2.069 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000443291780 560078131 /nfs/dbraw/zinc/07/81/31/560078131.db2.gz SVFFFRRXBLNURO-CQSZACIVSA-N -1 3 372.443 2.213 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451861106 560332975 /nfs/dbraw/zinc/33/29/75/560332975.db2.gz UTRCCNQHFOGYHH-SWLSCSKDSA-N -1 3 374.846 2.324 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000451900179 560335692 /nfs/dbraw/zinc/33/56/92/560335692.db2.gz LMIDOPZHLMSKQS-ZFWWWQNUSA-N -1 3 363.395 2.188 20 5 FEBDHM CCc1ccc([O-])c(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000457131882 560551970 /nfs/dbraw/zinc/55/19/70/560551970.db2.gz ZGXMZZPGQHTGFZ-UHFFFAOYSA-N -1 3 356.382 2.220 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](C)CC ZINC000467053493 560902464 /nfs/dbraw/zinc/90/24/64/560902464.db2.gz JMUKSRGAVSADJC-PELKAZGASA-N -1 3 364.445 2.221 20 5 FEBDHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143733 561137828 /nfs/dbraw/zinc/13/78/28/561137828.db2.gz YCPBXBRRPJOSNP-VUDGCMKMSA-N -1 3 370.427 2.388 20 5 FEBDHM C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143993 561137850 /nfs/dbraw/zinc/13/78/50/561137850.db2.gz YUYCKALIEJBPIE-RNZFLTOJSA-N -1 3 356.400 2.079 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COc2ccc(C)cc21 ZINC000532419219 562477300 /nfs/dbraw/zinc/47/73/00/562477300.db2.gz JTTNTYKFCDUOLT-ZDUSSCGKSA-N -1 3 364.379 2.324 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc([S@@](C)=O)cc1 ZINC000534409107 562533738 /nfs/dbraw/zinc/53/37/38/562533738.db2.gz NHLHJJBOEMRFDJ-GTUYJWLHSA-N -1 3 374.465 2.433 20 5 FEBDHM COc1ccc(-c2nc(Sc3ncc([N+](=O)[O-])cn3)n[n-]2)c(OC)c1 ZINC000545484445 562627985 /nfs/dbraw/zinc/62/79/85/562627985.db2.gz UNYXTERWMWPALB-UHFFFAOYSA-N -1 3 360.355 2.338 20 5 FEBDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000735581227 598831913 /nfs/dbraw/zinc/83/19/13/598831913.db2.gz QPPDFFQOURKWFV-UHFFFAOYSA-N -1 3 353.342 2.086 20 5 FEBDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000735581227 598831914 /nfs/dbraw/zinc/83/19/14/598831914.db2.gz QPPDFFQOURKWFV-UHFFFAOYSA-N -1 3 353.342 2.086 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000738366145 599273704 /nfs/dbraw/zinc/27/37/04/599273704.db2.gz DYHZCODTADDCBH-ZDUSSCGKSA-N -1 3 367.325 2.062 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccco3)cc(-c3nn[n-]n3)c2c1 ZINC000738366145 599273706 /nfs/dbraw/zinc/27/37/06/599273706.db2.gz DYHZCODTADDCBH-ZDUSSCGKSA-N -1 3 367.325 2.062 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000738368312 598244795 /nfs/dbraw/zinc/24/47/95/598244795.db2.gz CBTONYUMQHRYKJ-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000738368312 598244797 /nfs/dbraw/zinc/24/47/97/598244797.db2.gz CBTONYUMQHRYKJ-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737282591 598289818 /nfs/dbraw/zinc/28/98/18/598289818.db2.gz GLWWVWDTMYLMBF-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737282591 598289819 /nfs/dbraw/zinc/28/98/19/598289819.db2.gz GLWWVWDTMYLMBF-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1c(CS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737216635 598290358 /nfs/dbraw/zinc/29/03/58/598290358.db2.gz UXXHDSHCAPRSCR-UHFFFAOYSA-N -1 3 373.394 2.198 20 5 FEBDHM Cc1c(CS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737216635 598290360 /nfs/dbraw/zinc/29/03/60/598290360.db2.gz UXXHDSHCAPRSCR-UHFFFAOYSA-N -1 3 373.394 2.198 20 5 FEBDHM COc1cc(Cl)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737048214 598469127 /nfs/dbraw/zinc/46/91/27/598469127.db2.gz XODSWQYYLXUSNR-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COc1cc(Cl)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737048214 598469128 /nfs/dbraw/zinc/46/91/28/598469128.db2.gz XODSWQYYLXUSNR-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM CCC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736309803 598499042 /nfs/dbraw/zinc/49/90/42/598499042.db2.gz RNHVEWNMYPOHQY-UHFFFAOYSA-N -1 3 354.330 2.262 20 5 FEBDHM CCC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736309803 598499043 /nfs/dbraw/zinc/49/90/43/598499043.db2.gz RNHVEWNMYPOHQY-UHFFFAOYSA-N -1 3 354.330 2.262 20 5 FEBDHM CCOc1ccccc1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736652773 598521054 /nfs/dbraw/zinc/52/10/54/598521054.db2.gz BHXQPLZJYKKXHE-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM CCOc1ccccc1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736652773 598521055 /nfs/dbraw/zinc/52/10/55/598521055.db2.gz BHXQPLZJYKKXHE-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737040573 598583150 /nfs/dbraw/zinc/58/31/50/598583150.db2.gz HYBIMMMPVHOFBL-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737040573 598583152 /nfs/dbraw/zinc/58/31/52/598583152.db2.gz HYBIMMMPVHOFBL-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737042797 598711072 /nfs/dbraw/zinc/71/10/72/598711072.db2.gz RKLQKMNODLTMEK-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000737042797 598711074 /nfs/dbraw/zinc/71/10/74/598711074.db2.gz RKLQKMNODLTMEK-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCCn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823650836 599317861 /nfs/dbraw/zinc/31/78/61/599317861.db2.gz BYGZQBUHEWGBIW-UHFFFAOYSA-N -1 3 365.357 2.022 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCCn2cnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823650836 599317864 /nfs/dbraw/zinc/31/78/64/599317864.db2.gz BYGZQBUHEWGBIW-UHFFFAOYSA-N -1 3 365.357 2.022 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645947 599484519 /nfs/dbraw/zinc/48/45/19/599484519.db2.gz XIQZWQPBTSLUPG-ONGXEEELSA-N -1 3 355.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645947 599484521 /nfs/dbraw/zinc/48/45/21/599484521.db2.gz XIQZWQPBTSLUPG-ONGXEEELSA-N -1 3 355.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000823644165 599497304 /nfs/dbraw/zinc/49/73/04/599497304.db2.gz GKKXNQJFJSBIOO-NSHDSACASA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000823644165 599497306 /nfs/dbraw/zinc/49/73/06/599497306.db2.gz GKKXNQJFJSBIOO-NSHDSACASA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[C@@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823643778 599571793 /nfs/dbraw/zinc/57/17/93/599571793.db2.gz AQGMORJBJDXTTJ-BONVTDFDSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[C@@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000823643778 599571794 /nfs/dbraw/zinc/57/17/94/599571794.db2.gz AQGMORJBJDXTTJ-BONVTDFDSA-N -1 3 369.385 2.286 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000821741990 607418688 /nfs/dbraw/zinc/41/86/88/607418688.db2.gz WQJBVMCRGLQSSM-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000821741990 607418690 /nfs/dbraw/zinc/41/86/90/607418690.db2.gz WQJBVMCRGLQSSM-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826428326 607423728 /nfs/dbraw/zinc/42/37/28/607423728.db2.gz YKZOROYERHKCOW-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826428326 607423729 /nfs/dbraw/zinc/42/37/29/607423729.db2.gz YKZOROYERHKCOW-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM O=C([O-])c1cccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000740231259 600565198 /nfs/dbraw/zinc/56/51/98/600565198.db2.gz JMTQNMADZMFSPW-CQSZACIVSA-N -1 3 372.381 2.253 20 5 FEBDHM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739100587 602432268 /nfs/dbraw/zinc/43/22/68/602432268.db2.gz OJRIYISYDQGBTJ-YVEFUNNKSA-N -1 3 364.402 2.339 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826200769 607581526 /nfs/dbraw/zinc/58/15/26/607581526.db2.gz IHMONOURHMXGPA-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826200769 607581528 /nfs/dbraw/zinc/58/15/28/607581528.db2.gz IHMONOURHMXGPA-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]n1 ZINC000809818165 674512109 /nfs/dbraw/zinc/51/21/09/674512109.db2.gz CFLCWQHJXYHJLD-UHFFFAOYSA-N -1 3 362.770 2.151 20 5 FEBDHM NC(=O)c1ccc(CSc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822885953 606325141 /nfs/dbraw/zinc/32/51/41/606325141.db2.gz WBYFMRPBFOBOEE-UHFFFAOYSA-N -1 3 356.367 2.166 20 5 FEBDHM NC(=O)c1ccc(CSc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822885953 606325143 /nfs/dbraw/zinc/32/51/43/606325143.db2.gz WBYFMRPBFOBOEE-UHFFFAOYSA-N -1 3 356.367 2.166 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000820455313 606424728 /nfs/dbraw/zinc/42/47/28/606424728.db2.gz GQIBBUGHUMJICE-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000820455313 606424729 /nfs/dbraw/zinc/42/47/29/606424729.db2.gz GQIBBUGHUMJICE-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccc(Cl)cn1 ZINC000823629703 606723579 /nfs/dbraw/zinc/72/35/79/606723579.db2.gz FISWUJWVQMFPFC-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ccc(Cl)cn1 ZINC000823629703 606723581 /nfs/dbraw/zinc/72/35/81/606723581.db2.gz FISWUJWVQMFPFC-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC(Cc3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823648016 606921255 /nfs/dbraw/zinc/92/12/55/606921255.db2.gz RTCKCZQOMUZHAT-UHFFFAOYSA-N -1 3 373.323 2.127 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC(Cc3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823648016 606921257 /nfs/dbraw/zinc/92/12/57/606921257.db2.gz RTCKCZQOMUZHAT-UHFFFAOYSA-N -1 3 373.323 2.127 20 5 FEBDHM O=C1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1C1CCCCC1 ZINC000823521340 607043878 /nfs/dbraw/zinc/04/38/78/607043878.db2.gz VGWJCUYIYWEAID-LBPRGKRZSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1C1CCCCC1 ZINC000823521340 607043879 /nfs/dbraw/zinc/04/38/79/607043879.db2.gz VGWJCUYIYWEAID-LBPRGKRZSA-N -1 3 371.401 2.120 20 5 FEBDHM COc1cccc2c1CC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821877116 607119019 /nfs/dbraw/zinc/11/90/19/607119019.db2.gz BTAVDJDZODSNJM-CYBMUJFWSA-N -1 3 353.342 2.278 20 5 FEBDHM COc1cccc2c1CC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821877116 607119020 /nfs/dbraw/zinc/11/90/20/607119020.db2.gz BTAVDJDZODSNJM-CYBMUJFWSA-N -1 3 353.342 2.278 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCCCNc2ccccn2)cc1-c1nnn[n-]1 ZINC000826498974 607841440 /nfs/dbraw/zinc/84/14/40/607841440.db2.gz QPJUBUUAEFMMGI-UHFFFAOYSA-N -1 3 354.374 2.474 20 5 FEBDHM CCc1ncncc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825755388 608163218 /nfs/dbraw/zinc/16/32/18/608163218.db2.gz XAOOYZQSKCGQGW-UHFFFAOYSA-N -1 3 374.748 2.033 20 5 FEBDHM CCc1ncncc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825755388 608163219 /nfs/dbraw/zinc/16/32/19/608163219.db2.gz XAOOYZQSKCGQGW-UHFFFAOYSA-N -1 3 374.748 2.033 20 5 FEBDHM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000826098605 608237791 /nfs/dbraw/zinc/23/77/91/608237791.db2.gz JTEQZFPWSGCPCK-LBPRGKRZSA-N -1 3 374.401 2.191 20 5 FEBDHM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000826098605 608237792 /nfs/dbraw/zinc/23/77/92/608237792.db2.gz JTEQZFPWSGCPCK-LBPRGKRZSA-N -1 3 374.401 2.191 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826499003 608296248 /nfs/dbraw/zinc/29/62/48/608296248.db2.gz RMORXZIUWMQEPN-CHWSQXEVSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499003 608296250 /nfs/dbraw/zinc/29/62/50/608296250.db2.gz RMORXZIUWMQEPN-CHWSQXEVSA-N -1 3 358.402 2.418 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826273073 608336861 /nfs/dbraw/zinc/33/68/61/608336861.db2.gz OJDAEEDGBLDPCF-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826273073 608336863 /nfs/dbraw/zinc/33/68/63/608336863.db2.gz OJDAEEDGBLDPCF-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000826172343 608349978 /nfs/dbraw/zinc/34/99/78/608349978.db2.gz AJKXCEROIJZFCC-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000826172343 608349980 /nfs/dbraw/zinc/34/99/80/608349980.db2.gz AJKXCEROIJZFCC-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272475 609163572 /nfs/dbraw/zinc/16/35/72/609163572.db2.gz LLNNWXHHCHJXPQ-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272475 609163573 /nfs/dbraw/zinc/16/35/73/609163573.db2.gz LLNNWXHHCHJXPQ-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM COCCC[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826154980 609331189 /nfs/dbraw/zinc/33/11/89/609331189.db2.gz BQIKEYQLMSEDRE-MRVPVSSYSA-N -1 3 368.781 2.430 20 5 FEBDHM COCCC[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826154980 609331191 /nfs/dbraw/zinc/33/11/91/609331191.db2.gz BQIKEYQLMSEDRE-MRVPVSSYSA-N -1 3 368.781 2.430 20 5 FEBDHM O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N-]C(=O)c1cccs1 ZINC000007133486 669964349 /nfs/dbraw/zinc/96/43/49/669964349.db2.gz WUBKPJUPRLJTIM-UHFFFAOYSA-N -1 3 368.754 2.423 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000564906358 675074442 /nfs/dbraw/zinc/07/44/42/675074442.db2.gz KCAVMCUYVXWWAO-SFYZADRCSA-N -1 3 354.306 2.069 20 5 FEBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056108568 670359398 /nfs/dbraw/zinc/35/93/98/670359398.db2.gz IMKDVLLROWGPDJ-QMMMGPOBSA-N -1 3 358.807 2.330 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(CC2CC2)C1 ZINC000108403785 670829624 /nfs/dbraw/zinc/82/96/24/670829624.db2.gz NHLJTAMMQYLNPQ-GFCCVEGCSA-N -1 3 359.835 2.011 20 5 FEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000573117981 671085180 /nfs/dbraw/zinc/08/51/80/671085180.db2.gz LCGCASFKLKOGBO-MRVPVSSYSA-N -1 3 370.412 2.049 20 5 FEBDHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120156238 671918323 /nfs/dbraw/zinc/91/83/23/671918323.db2.gz FBQNZQUDBGBFGU-UHFFFAOYSA-N -1 3 361.788 2.209 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c(F)c1 ZINC000125225265 672009127 /nfs/dbraw/zinc/00/91/27/672009127.db2.gz GLQYXQZMBSKDET-UHFFFAOYSA-N -1 3 359.766 2.303 20 5 FEBDHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000584467381 672190982 /nfs/dbraw/zinc/19/09/82/672190982.db2.gz JWGKCVFGRIEAPN-SWLSCSKDSA-N -1 3 372.443 2.035 20 5 FEBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000593540893 672938062 /nfs/dbraw/zinc/93/80/62/672938062.db2.gz JNVSVPKOQFLOER-UHFFFAOYSA-N -1 3 356.429 2.056 20 5 FEBDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814289 673292144 /nfs/dbraw/zinc/29/21/44/673292144.db2.gz LNVVPZXMDCVLSC-TXEJJXNPSA-N -1 3 359.423 2.275 20 5 FEBDHM O=C(COC(=O)c1cncc([O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731914438 673347868 /nfs/dbraw/zinc/34/78/68/673347868.db2.gz IFGULSJJMNDNTC-UHFFFAOYSA-N -1 3 351.702 2.144 20 5 FEBDHM O=c1[n-]ccc(N2CCN(c3ncnc4sccc43)CC2)c1[N+](=O)[O-] ZINC000596072741 673356070 /nfs/dbraw/zinc/35/60/70/673356070.db2.gz GUSNXVLQDCALAI-UHFFFAOYSA-N -1 3 358.383 2.027 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000734847988 673474393 /nfs/dbraw/zinc/47/43/93/673474393.db2.gz GGNYPJUHZQTLJS-LLVKDONJSA-N -1 3 354.413 2.111 20 5 FEBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597491617 673482207 /nfs/dbraw/zinc/48/22/07/673482207.db2.gz PCMCWBGQGFFYQY-NXEZZACHSA-N -1 3 364.276 2.223 20 5 FEBDHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000542240543 673569372 /nfs/dbraw/zinc/56/93/72/673569372.db2.gz CSSZOYPRNUTXPY-PRHODGIISA-N -1 3 368.333 2.459 20 5 FEBDHM COc1cc(CNCc2c(C(F)(F)F)cnn2C)c([N+](=O)[O-])cc1[O-] ZINC000598989961 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UCBSGUYCSDSMFN-CYBMUJFWSA-N -1 3 369.468 2.108 20 5 FEBDHM COc1ccccc1-c1nc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000103188963 543096283 /nfs/dbraw/zinc/09/62/83/543096283.db2.gz QWGMMPORTSIZNC-UHFFFAOYSA-N -1 3 372.316 2.362 20 5 FEBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000107419468 543270353 /nfs/dbraw/zinc/27/03/53/543270353.db2.gz PHORTDUNKOLJRS-MRXNPFEDSA-N -1 3 364.423 2.272 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000126260222 543926475 /nfs/dbraw/zinc/92/64/75/543926475.db2.gz PWSKINDEYJZDDS-KOLCDFICSA-N -1 3 359.835 2.152 20 5 FEBDHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000133523564 544273503 /nfs/dbraw/zinc/27/35/03/544273503.db2.gz BWYQSOHYNRMUDW-UHFFFAOYSA-N -1 3 353.375 2.278 20 5 FEBDHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)n1 ZINC000186910232 327989741 /nfs/dbraw/zinc/98/97/41/327989741.db2.gz ORIYFKYBNLURRI-UHFFFAOYSA-N -1 3 354.326 2.145 20 5 FEBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188532289 328093195 /nfs/dbraw/zinc/09/31/95/328093195.db2.gz WMDCRWICCLDFLR-JGVFFNPUSA-N -1 3 356.322 2.315 20 5 FEBDHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189837652 328170841 /nfs/dbraw/zinc/17/08/41/328170841.db2.gz PYLASRSIKQZWFL-UHFFFAOYSA-N -1 3 366.443 2.083 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000190630516 328220927 /nfs/dbraw/zinc/22/09/27/328220927.db2.gz OYJJBAJPTANIJI-XWIASGKRSA-N -1 3 360.819 2.402 20 5 FEBDHM C[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000193691980 328389786 /nfs/dbraw/zinc/38/97/86/328389786.db2.gz FSMALCGSHACQAR-SWLSCSKDSA-N -1 3 356.382 2.088 20 5 FEBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194182274 328414737 /nfs/dbraw/zinc/41/47/37/328414737.db2.gz RSBBEZZCOHWBGE-UHFFFAOYSA-N -1 3 369.786 2.409 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000080788989 325144505 /nfs/dbraw/zinc/14/45/05/325144505.db2.gz JINPDUMOJLBWFF-AWEZNQCLSA-N -1 3 354.384 2.303 20 5 FEBDHM O=C(Cc1cn2ccsc2n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000103202161 325510045 /nfs/dbraw/zinc/51/00/45/325510045.db2.gz IHHMXRKTSMEYFA-UHFFFAOYSA-N -1 3 369.366 2.270 20 5 FEBDHM Cn1ncc2c1ncc(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c2[O-] ZINC000119405405 326158328 /nfs/dbraw/zinc/15/83/28/326158328.db2.gz GQXVTFITTBLCHA-UHFFFAOYSA-N -1 3 367.365 2.387 20 5 FEBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120926900 326299874 /nfs/dbraw/zinc/29/98/74/326299874.db2.gz HUTOQKSOBXUIJZ-UHFFFAOYSA-N -1 3 366.443 2.475 20 5 FEBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000123761089 326441885 /nfs/dbraw/zinc/44/18/85/326441885.db2.gz ROKNFYOZLMSURL-SNVBAGLBSA-N -1 3 350.824 2.325 20 5 FEBDHM Cc1cc([N+](=O)[O-])cn(Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1=O ZINC000127273890 326503288 /nfs/dbraw/zinc/50/32/88/326503288.db2.gz YGKFKLGQKWJSMM-UHFFFAOYSA-N -1 3 372.406 2.290 20 5 FEBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCc2cccc([O-])c21 ZINC000155625690 326796945 /nfs/dbraw/zinc/79/69/45/326796945.db2.gz HFDSKFHEVXIZKB-LBPRGKRZSA-N -1 3 369.377 2.398 20 5 FEBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000156542667 326835290 /nfs/dbraw/zinc/83/52/90/326835290.db2.gz HPWBMHHVDWDXSD-INIZCTEOSA-N -1 3 364.423 2.478 20 5 FEBDHM COC(=O)[C@@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000171889801 327167777 /nfs/dbraw/zinc/16/77/77/327167777.db2.gz IHVYDGOMHCUKDW-CYBMUJFWSA-N -1 3 366.333 2.388 20 5 FEBDHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000174981896 327365308 /nfs/dbraw/zinc/36/53/08/327365308.db2.gz XYPIFHBQXFOTRC-GFCCVEGCSA-N -1 3 352.416 2.487 20 5 FEBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000175272186 327383747 /nfs/dbraw/zinc/38/37/47/327383747.db2.gz JJJUPJPBRLOUFI-HIFRSBDPSA-N -1 3 370.409 2.478 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c1C ZINC000175774573 327412107 /nfs/dbraw/zinc/41/21/07/327412107.db2.gz RCGJHUVYMDCVCD-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@H]21 ZINC000247159452 328671692 /nfs/dbraw/zinc/67/16/92/328671692.db2.gz XZJZIVWHDGYBEA-OASPWFOLSA-N -1 3 360.819 2.340 20 5 FEBDHM O=[N+]([O-])c1ccccc1/C=C\CNCC[N-]S(=O)(=O)c1cccs1 ZINC000255382631 328801393 /nfs/dbraw/zinc/80/13/93/328801393.db2.gz VAUFXJYBRKQMAE-UTCJRWHESA-N -1 3 367.452 2.238 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)cc1C ZINC000263746310 328958744 /nfs/dbraw/zinc/95/87/44/328958744.db2.gz FYYNQCBCICGUSX-UHFFFAOYSA-N -1 3 364.427 2.223 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000268969757 329473795 /nfs/dbraw/zinc/47/37/95/329473795.db2.gz LFKFXQABKWQHNR-GFCCVEGCSA-N -1 3 370.427 2.374 20 5 FEBDHM Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000273109972 329837782 /nfs/dbraw/zinc/83/77/82/329837782.db2.gz RADNDJKOSZADLF-AWEZNQCLSA-N -1 3 370.365 2.247 20 5 FEBDHM Cc1c(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000472973499 538728529 /nfs/dbraw/zinc/72/85/29/538728529.db2.gz ZSYQWDQOOVKNLK-CYBMUJFWSA-N -1 3 359.342 2.055 20 5 FEBDHM CC(C)(C)n1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1 ZINC000477888103 561155591 /nfs/dbraw/zinc/15/55/91/561155591.db2.gz MJTCGFHSPSNGKN-UHFFFAOYSA-N -1 3 361.358 2.355 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000159042158 545917062 /nfs/dbraw/zinc/91/70/62/545917062.db2.gz SRZCPTGXRZDKRA-CQSZACIVSA-N -1 3 356.382 2.090 20 5 FEBDHM Cc1c(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000160541874 546049892 /nfs/dbraw/zinc/04/98/92/546049892.db2.gz GWXXBBMSNAXEEK-UHFFFAOYSA-N -1 3 363.395 2.456 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C ZINC000479205767 561184568 /nfs/dbraw/zinc/18/45/68/561184568.db2.gz OEMSCORUIYAMCU-SNVBAGLBSA-N -1 3 374.415 2.002 20 5 FEBDHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000480864880 561218784 /nfs/dbraw/zinc/21/87/84/561218784.db2.gz BDGMHFMIJTTWNY-GJZGRUSLSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)c1C ZINC000480964866 561221401 /nfs/dbraw/zinc/22/14/01/561221401.db2.gz VFNMOLQFRNJPJM-VIFPVBQESA-N -1 3 370.349 2.457 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@H](C)CC ZINC000481067896 561224341 /nfs/dbraw/zinc/22/43/41/561224341.db2.gz GULZPYDFRHMCDZ-MFKMUULPSA-N -1 3 372.443 2.468 20 5 FEBDHM Cc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)n2)s1 ZINC000481884032 561244712 /nfs/dbraw/zinc/24/47/12/561244712.db2.gz AJQAAWRRDQCTOC-UHFFFAOYSA-N -1 3 350.385 2.469 20 5 FEBDHM CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)CC1 ZINC000184508962 547838874 /nfs/dbraw/zinc/83/88/74/547838874.db2.gz DRSDRHDCZICUAW-UHFFFAOYSA-N -1 3 371.397 2.090 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000184874120 547892012 /nfs/dbraw/zinc/89/20/12/547892012.db2.gz CQHPHTQTVINOHR-UHFFFAOYSA-N -1 3 360.407 2.406 20 5 FEBDHM CCOC(=O)CCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000485425424 561318964 /nfs/dbraw/zinc/31/89/64/561318964.db2.gz DYIZLPGCSZWRRV-UHFFFAOYSA-N -1 3 359.338 2.443 20 5 FEBDHM NC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cn1 ZINC000486293192 561343362 /nfs/dbraw/zinc/34/33/62/561343362.db2.gz LXVLOJHIPBROFM-UHFFFAOYSA-N -1 3 371.172 2.165 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000264000796 549966288 /nfs/dbraw/zinc/96/62/88/549966288.db2.gz GVZZPAAJMAKZMP-AWEZNQCLSA-N -1 3 366.395 2.269 20 5 FEBDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000269306446 550179387 /nfs/dbraw/zinc/17/93/87/550179387.db2.gz AOBOQQSUZIPXML-UHFFFAOYSA-N -1 3 359.338 2.384 20 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552672067 /nfs/dbraw/zinc/67/20/67/552672067.db2.gz HYUCADYRJSECHI-UHFFFAOYSA-N -1 3 357.363 2.380 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c2ncccc12 ZINC000292468721 552729650 /nfs/dbraw/zinc/72/96/50/552729650.db2.gz ZNJZWIRRCVQJSD-UHFFFAOYSA-N -1 3 357.338 2.467 20 5 FEBDHM O=C([N-]OCC1CC1)c1ccc([N+](=O)[O-])cc1I ZINC000293799310 552857482 /nfs/dbraw/zinc/85/74/82/552857482.db2.gz PKASRTOCIORABT-UHFFFAOYSA-N -1 3 362.123 2.271 20 5 FEBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cccc(S(C)(=O)=O)c1 ZINC000501963839 561609021 /nfs/dbraw/zinc/60/90/21/561609021.db2.gz MEMUCCZIGUWLBD-UHFFFAOYSA-N -1 3 374.378 2.151 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502282843 561615633 /nfs/dbraw/zinc/61/56/33/561615633.db2.gz SLPXWNLWKNZGMU-UHFFFAOYSA-N -1 3 364.383 2.230 20 5 FEBDHM O=C(Nc1ncc(C2CCOCC2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295899503 553073363 /nfs/dbraw/zinc/07/33/63/553073363.db2.gz HTROCFSNGWWHDH-UHFFFAOYSA-N -1 3 350.356 2.298 20 5 FEBDHM COc1cc(CN[C@@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000296900020 553227148 /nfs/dbraw/zinc/22/71/48/553227148.db2.gz QUKFQPZJBBQGCA-JTQLQIEISA-N -1 3 355.391 2.312 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c([N+](=O)[O-])c1 ZINC000503222396 561637181 /nfs/dbraw/zinc/63/71/81/561637181.db2.gz VXUDANASYLZEGD-UHFFFAOYSA-N -1 3 352.397 2.091 20 5 FEBDHM CS(=O)(=O)c1ccccc1-n1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000301215699 553631773 /nfs/dbraw/zinc/63/17/73/553631773.db2.gz ZWQLINUHBBKSTP-UHFFFAOYSA-N -1 3 359.367 2.323 20 5 FEBDHM CNS(=O)(=O)c1ccc([N-]c2ccn(CCC(C)C)n2)c([N+](=O)[O-])c1 ZINC000302024010 553698884 /nfs/dbraw/zinc/69/88/84/553698884.db2.gz JREDLFAZCDFFDC-UHFFFAOYSA-N -1 3 367.431 2.489 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC000324550805 553772413 /nfs/dbraw/zinc/77/24/13/553772413.db2.gz MCWQYQMLHMZIIA-HNNXBMFYSA-N -1 3 368.411 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(C)C ZINC000325904894 553778392 /nfs/dbraw/zinc/77/83/92/553778392.db2.gz CCEQUMQGOJDWKO-UHFFFAOYSA-N -1 3 358.416 2.342 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(N)ccc32)c([N+](=O)[O-])c1 ZINC000327108937 553786336 /nfs/dbraw/zinc/78/63/36/553786336.db2.gz BZFQNQRNGWWOQK-AWEZNQCLSA-N -1 3 363.395 2.151 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1 ZINC000506255732 561694307 /nfs/dbraw/zinc/69/43/07/561694307.db2.gz SFMHWVOEMYWJHB-LBPRGKRZSA-N -1 3 366.395 2.349 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC1(C)C ZINC000330371167 554112593 /nfs/dbraw/zinc/11/25/93/554112593.db2.gz HWFJXACYFSVCLL-ZDUSSCGKSA-N -1 3 356.400 2.238 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000332141668 554389104 /nfs/dbraw/zinc/38/91/04/554389104.db2.gz MHMKUQCCUDTQNO-AWEZNQCLSA-N -1 3 360.407 2.118 20 5 FEBDHM CCC(CC)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC ZINC000510621278 561840834 /nfs/dbraw/zinc/84/08/34/561840834.db2.gz GIJWPFBGZWTVII-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000510642494 561841851 /nfs/dbraw/zinc/84/18/51/561841851.db2.gz AYBUPALZPBMKFB-AWEZNQCLSA-N -1 3 360.432 2.333 20 5 FEBDHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000361953729 554940471 /nfs/dbraw/zinc/94/04/71/554940471.db2.gz BETOGUSMBVXCRN-UHFFFAOYSA-N -1 3 368.309 2.849 20 5 FEBDHM Cc1nnc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1C ZINC000365768815 555663296 /nfs/dbraw/zinc/66/32/96/555663296.db2.gz ISMRHYGVFHSLQP-UHFFFAOYSA-N -1 3 354.326 2.052 20 5 FEBDHM COc1cnc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000513742414 561948492 /nfs/dbraw/zinc/94/84/92/561948492.db2.gz WVSZFHOBAXHYAK-UHFFFAOYSA-N -1 3 353.132 2.408 20 5 FEBDHM CN(C)c1cc(F)c(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000366598955 555887317 /nfs/dbraw/zinc/88/73/17/555887317.db2.gz DDDALTWWYVISHO-UHFFFAOYSA-N -1 3 371.332 2.232 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](CO)c3ccccc32)c(F)c1 ZINC000368957707 556459673 /nfs/dbraw/zinc/45/96/73/556459673.db2.gz FMVMRYZVTDICER-BMIGLBTASA-N -1 3 366.370 2.233 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000516566511 562048485 /nfs/dbraw/zinc/04/84/85/562048485.db2.gz BYWJPUVYBGRIHQ-DTWKUNHWSA-N -1 3 350.343 2.302 20 5 FEBDHM CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C(=O)[O-])C1 ZINC000517032736 562072638 /nfs/dbraw/zinc/07/26/38/562072638.db2.gz AEKQRFNKSXYBRH-CQSZACIVSA-N -1 3 356.382 2.109 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1cccnc1 ZINC000372439611 557470834 /nfs/dbraw/zinc/47/08/34/557470834.db2.gz MWAWDLUQHFHWIS-GUYCJALGSA-N -1 3 356.382 2.118 20 5 FEBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnn(CCN2CCCCC2)c1 ZINC000372928499 557590480 /nfs/dbraw/zinc/59/04/80/557590480.db2.gz OSZGXIMHGVCTMC-UHFFFAOYSA-N -1 3 359.386 2.235 20 5 FEBDHM CN1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000373894481 557781622 /nfs/dbraw/zinc/78/16/22/557781622.db2.gz SCZFALOJINYKLY-QMTHXVAHSA-N -1 3 362.411 2.180 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2noc3c2CCCC3)c1 ZINC000377380467 558330036 /nfs/dbraw/zinc/33/00/36/558330036.db2.gz SROIEDYXIFOCTN-UHFFFAOYSA-N -1 3 351.384 2.081 20 5 FEBDHM O=C([N-][C@H]1COc2ccccc2[C@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378140972 558489631 /nfs/dbraw/zinc/48/96/31/558489631.db2.gz UCMGQMVUJZXVRG-DZGCQCFKSA-N -1 3 364.304 2.297 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCC1 ZINC000392585818 558618344 /nfs/dbraw/zinc/61/83/44/558618344.db2.gz ZOQWOJWQVVYAAR-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1CCCCCC1)OCCO2 ZINC000408025088 558639630 /nfs/dbraw/zinc/63/96/30/558639630.db2.gz NSXFBKYUJCOUJL-UHFFFAOYSA-N -1 3 356.400 2.367 20 5 FEBDHM CCNc1ccc(C(=O)Nc2nc(C)[n-]c2C(=O)OCC)cc1[N+](=O)[O-] ZINC000525150564 562241173 /nfs/dbraw/zinc/24/11/73/562241173.db2.gz BXKPMGFRWZUYSQ-UHFFFAOYSA-N -1 3 361.358 2.487 20 5 FEBDHM CCNc1ccc(C(=O)Nc2[n-]c(C)nc2C(=O)OCC)cc1[N+](=O)[O-] ZINC000525150564 562241174 /nfs/dbraw/zinc/24/11/74/562241174.db2.gz BXKPMGFRWZUYSQ-UHFFFAOYSA-N -1 3 361.358 2.487 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000525659310 562251536 /nfs/dbraw/zinc/25/15/36/562251536.db2.gz QCCJQJAAFAYAJY-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM CCn1cccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1=O ZINC000414396296 559161422 /nfs/dbraw/zinc/16/14/22/559161422.db2.gz OFOQCZWNZYXSLB-UHFFFAOYSA-N -1 3 351.384 2.194 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000416360867 559307460 /nfs/dbraw/zinc/30/74/60/559307460.db2.gz LKOMNQIFPFXVBW-VIFPVBQESA-N -1 3 354.306 2.071 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416450189 559313761 /nfs/dbraw/zinc/31/37/61/559313761.db2.gz LNQOGZMKSFZQJX-WPRPVWTQSA-N -1 3 368.333 2.459 20 5 FEBDHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416475392 559315904 /nfs/dbraw/zinc/31/59/04/559315904.db2.gz UIMZUGOBJPDVMP-QWRGUYRKSA-N -1 3 368.333 2.051 20 5 FEBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416485553 559316703 /nfs/dbraw/zinc/31/67/03/559316703.db2.gz BKVDNHTYHCUCON-VIFPVBQESA-N -1 3 370.349 2.301 20 5 FEBDHM C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416491969 559317360 /nfs/dbraw/zinc/31/73/60/559317360.db2.gz BBEHRBNHINGHAE-SECBINFHSA-N -1 3 370.349 2.443 20 5 FEBDHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416492993 559317442 /nfs/dbraw/zinc/31/74/42/559317442.db2.gz FTHBJOPDLVBWAH-LLVKDONJSA-N -1 3 368.333 2.317 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC000416510782 559318893 /nfs/dbraw/zinc/31/88/93/559318893.db2.gz YLAIOEIAABBPSL-JTQLQIEISA-N -1 3 358.416 2.484 20 5 FEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000416552312 559321268 /nfs/dbraw/zinc/32/12/68/559321268.db2.gz BQSKUEHNSLNXKI-CABCVRRESA-N -1 3 354.428 2.448 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416630562 559326283 /nfs/dbraw/zinc/32/62/83/559326283.db2.gz UJTYNRYWZARFQS-GWCFXTLKSA-N -1 3 350.824 2.322 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000416632580 559326361 /nfs/dbraw/zinc/32/63/61/559326361.db2.gz NKZZKMBBBLCEGJ-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc(C2CCCC2)no1 ZINC000417252662 559354786 /nfs/dbraw/zinc/35/47/86/559354786.db2.gz JZKDQJYTYSVRGT-UHFFFAOYSA-N -1 3 352.372 2.114 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c([N+](=O)[O-])c1 ZINC000420709412 559499686 /nfs/dbraw/zinc/49/96/86/559499686.db2.gz RTAWTNJETIIGGR-NSHDSACASA-N -1 3 372.468 2.415 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1)OCCO2 ZINC000425194646 559690459 /nfs/dbraw/zinc/69/04/59/559690459.db2.gz OSVJIBUFDMXXKB-RYUDHWBXSA-N -1 3 368.411 2.081 20 5 FEBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000425194256 559690473 /nfs/dbraw/zinc/69/04/73/559690473.db2.gz NKCFLPSPDUKPIK-UHFFFAOYSA-N -1 3 362.354 2.268 20 5 FEBDHM C[C@]1(C[C@@H]2CCCN2c2ccnc3c2cccc3[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000432166446 559853302 /nfs/dbraw/zinc/85/33/02/559853302.db2.gz XUXSTGOSJHSSGL-BBATYDOGSA-N -1 3 369.381 2.100 20 5 FEBDHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000433466019 559882321 /nfs/dbraw/zinc/88/23/21/559882321.db2.gz KKNRDMDVCQZMEY-UHFFFAOYSA-N -1 3 374.390 2.278 20 5 FEBDHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000433754446 559887253 /nfs/dbraw/zinc/88/72/53/559887253.db2.gz VPPPPFRCRQIZGH-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c1C ZINC000439191117 559989693 /nfs/dbraw/zinc/98/96/93/559989693.db2.gz QJXXIPWFCCSODI-HNNXBMFYSA-N -1 3 372.443 2.423 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1cccc(O)c1 ZINC000443386364 560082718 /nfs/dbraw/zinc/08/27/18/560082718.db2.gz MZHROJOOJRDPCO-LLVKDONJSA-N -1 3 366.395 2.219 20 5 FEBDHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000443772130 560092292 /nfs/dbraw/zinc/09/22/92/560092292.db2.gz NQKWCBOHMBMGNQ-HNNXBMFYSA-N -1 3 372.443 2.381 20 5 FEBDHM CN1C[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000444276468 560107759 /nfs/dbraw/zinc/10/77/59/560107759.db2.gz MSGRUIKQHIPYTE-ZDUSSCGKSA-N -1 3 361.423 2.182 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1N(C)CCCC1(C)C ZINC000447932947 560173704 /nfs/dbraw/zinc/17/37/04/560173704.db2.gz RWKPLTJGKYVUQR-HNNXBMFYSA-N -1 3 371.459 2.002 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCC(=O)c2cccn21 ZINC000448113995 560178416 /nfs/dbraw/zinc/17/84/16/560178416.db2.gz OYIXWPFUSZEEHW-OAHLLOKOSA-N -1 3 365.349 2.943 20 5 FEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000450745314 560272012 /nfs/dbraw/zinc/27/20/12/560272012.db2.gz DJRNTNULDGINRV-UHFFFAOYSA-N -1 3 371.275 2.011 20 5 FEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000450745314 560272013 /nfs/dbraw/zinc/27/20/13/560272013.db2.gz DJRNTNULDGINRV-UHFFFAOYSA-N -1 3 371.275 2.011 20 5 FEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000450745314 560272014 /nfs/dbraw/zinc/27/20/14/560272014.db2.gz DJRNTNULDGINRV-UHFFFAOYSA-N -1 3 371.275 2.011 20 5 FEBDHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451695622 560322553 /nfs/dbraw/zinc/32/25/53/560322553.db2.gz NSXXXIYJQLEZGC-OLZOCXBDSA-N -1 3 370.427 2.303 20 5 FEBDHM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000451744740 560326175 /nfs/dbraw/zinc/32/61/75/560326175.db2.gz GCUCKYBKLPPSQO-VXGBXAGGSA-N -1 3 370.427 2.486 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000451819809 560330665 /nfs/dbraw/zinc/33/06/65/560330665.db2.gz BNDBJVQORUBYFZ-GXTWGEPZSA-N -1 3 372.443 2.333 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)c1C ZINC000451853943 560332507 /nfs/dbraw/zinc/33/25/07/560332507.db2.gz MKHVSNIIUIFQOV-GOEBONIOSA-N -1 3 368.455 2.287 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2ccc(F)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000456186297 560510117 /nfs/dbraw/zinc/51/01/17/560510117.db2.gz IGHNOMNLADHFQS-UHFFFAOYSA-N -1 3 370.362 2.065 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000460129284 560735880 /nfs/dbraw/zinc/73/58/80/560735880.db2.gz QAHGQWSFILNRCP-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000466519491 560888863 /nfs/dbraw/zinc/88/88/63/560888863.db2.gz QTBFVNWFLZKPKP-GFCCVEGCSA-N -1 3 368.342 2.155 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000466553703 560889758 /nfs/dbraw/zinc/88/97/58/560889758.db2.gz YBXGAABOIPNCTQ-HOTGVXAUSA-N -1 3 354.428 2.387 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467054194 560902534 /nfs/dbraw/zinc/90/25/34/560902534.db2.gz QPCQPYLFEVDXIG-MRVPVSSYSA-N -1 3 364.445 2.363 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000467260236 560907252 /nfs/dbraw/zinc/90/72/52/560907252.db2.gz GPNKFDFQEZXDGC-UHFFFAOYSA-N -1 3 356.381 2.172 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000468844911 560940331 /nfs/dbraw/zinc/94/03/31/560940331.db2.gz DYUBDHQWZPPFFF-VIFPVBQESA-N -1 3 370.408 2.482 20 5 FEBDHM CO[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000469029534 560945303 /nfs/dbraw/zinc/94/53/03/560945303.db2.gz QOESZSPBIKAESR-LBPRGKRZSA-N -1 3 370.349 2.457 20 5 FEBDHM CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000534094429 562525209 /nfs/dbraw/zinc/52/52/09/562525209.db2.gz UGCQKMWMODLVTC-UHFFFAOYSA-N -1 3 360.322 2.495 20 5 FEBDHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000534705749 562540712 /nfs/dbraw/zinc/54/07/12/562540712.db2.gz SFBDODNIGWILDX-NSHDSACASA-N -1 3 363.301 2.276 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738369803 599059076 /nfs/dbraw/zinc/05/90/76/599059076.db2.gz OWTMZMYWXWSAMA-LBPRGKRZSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738369803 599059079 /nfs/dbraw/zinc/05/90/79/599059079.db2.gz OWTMZMYWXWSAMA-LBPRGKRZSA-N -1 3 366.385 2.251 20 5 FEBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000736625603 599179097 /nfs/dbraw/zinc/17/90/97/599179097.db2.gz CXXURAXJLZCWNF-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000736625603 599179101 /nfs/dbraw/zinc/17/91/01/599179101.db2.gz CXXURAXJLZCWNF-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000736822007 598498070 /nfs/dbraw/zinc/49/80/70/598498070.db2.gz JZQCKSLPIIPQCN-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000736822007 598498072 /nfs/dbraw/zinc/49/80/72/598498072.db2.gz JZQCKSLPIIPQCN-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738101034 598650744 /nfs/dbraw/zinc/65/07/44/598650744.db2.gz WJAJXAKMOWJASV-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738101034 598650745 /nfs/dbraw/zinc/65/07/45/598650745.db2.gz WJAJXAKMOWJASV-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372940 599411167 /nfs/dbraw/zinc/41/11/67/599411167.db2.gz DTYDPHZHDLYRTJ-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372940 599411168 /nfs/dbraw/zinc/41/11/68/599411168.db2.gz DTYDPHZHDLYRTJ-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N3CCCSCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644667 599499477 /nfs/dbraw/zinc/49/94/77/599499477.db2.gz KBENWOHZTUAJKF-UHFFFAOYSA-N -1 3 357.399 2.266 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N3CCCSCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644667 599499478 /nfs/dbraw/zinc/49/94/78/599499478.db2.gz KBENWOHZTUAJKF-UHFFFAOYSA-N -1 3 357.399 2.266 20 5 FEBDHM CC(C)C[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820062815 599505795 /nfs/dbraw/zinc/50/57/95/599505795.db2.gz PEOZUCSBIRDLQZ-LLVKDONJSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)C[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820062815 599505797 /nfs/dbraw/zinc/50/57/97/599505797.db2.gz PEOZUCSBIRDLQZ-LLVKDONJSA-N -1 3 357.374 2.142 20 5 FEBDHM C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389848 599506921 /nfs/dbraw/zinc/50/69/21/599506921.db2.gz ABXMFSCOGDRKDJ-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389848 599506922 /nfs/dbraw/zinc/50/69/22/599506922.db2.gz ABXMFSCOGDRKDJ-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM COc1ccccc1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737147515 599537259 /nfs/dbraw/zinc/53/72/59/599537259.db2.gz MLNUXGLSHUUBEI-LLVKDONJSA-N -1 3 367.369 2.172 20 5 FEBDHM COc1ccccc1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737147515 599537262 /nfs/dbraw/zinc/53/72/62/599537262.db2.gz MLNUXGLSHUUBEI-LLVKDONJSA-N -1 3 367.369 2.172 20 5 FEBDHM Cc1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)o1 ZINC000822191614 599576969 /nfs/dbraw/zinc/57/69/69/599576969.db2.gz LTAGWWWMKXBLQS-MRXNPFEDSA-N -1 3 358.358 2.304 20 5 FEBDHM Cc1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)o1 ZINC000822191614 599576971 /nfs/dbraw/zinc/57/69/71/599576971.db2.gz LTAGWWWMKXBLQS-MRXNPFEDSA-N -1 3 358.358 2.304 20 5 FEBDHM CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737359398 599997571 /nfs/dbraw/zinc/99/75/71/599997571.db2.gz SSKYIUARYVKTTR-INIZCTEOSA-N -1 3 369.377 2.426 20 5 FEBDHM COc1ccc(COc2cc(C=O)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206601 607543581 /nfs/dbraw/zinc/54/35/81/607543581.db2.gz CNTVIZFDUHGFRN-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(COc2cc(C=O)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206601 607543583 /nfs/dbraw/zinc/54/35/83/607543583.db2.gz CNTVIZFDUHGFRN-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206540 607613793 /nfs/dbraw/zinc/61/37/93/607613793.db2.gz YWHSPQOWPMTEKW-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206540 607613794 /nfs/dbraw/zinc/61/37/94/607613794.db2.gz YWHSPQOWPMTEKW-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1c(CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826235937 607671989 /nfs/dbraw/zinc/67/19/89/607671989.db2.gz UZYOOGQKKPBBJR-UHFFFAOYSA-N -1 3 352.354 2.289 20 5 FEBDHM Cc1c(CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826235937 607671991 /nfs/dbraw/zinc/67/19/91/607671991.db2.gz UZYOOGQKKPBBJR-UHFFFAOYSA-N -1 3 352.354 2.289 20 5 FEBDHM Cn1cc(CN2CCC(CNC(=O)[O-])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833948109 605486056 /nfs/dbraw/zinc/48/60/56/605486056.db2.gz GAWAEVNUBHUNIU-UHFFFAOYSA-N -1 3 373.413 2.475 20 5 FEBDHM Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)nc12 ZINC000822366550 606139317 /nfs/dbraw/zinc/13/93/17/606139317.db2.gz MSJAIWZPEWYWSL-UHFFFAOYSA-N -1 3 364.369 2.386 20 5 FEBDHM Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)nc12 ZINC000822366550 606139318 /nfs/dbraw/zinc/13/93/18/606139318.db2.gz MSJAIWZPEWYWSL-UHFFFAOYSA-N -1 3 364.369 2.386 20 5 FEBDHM COc1ccc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821786149 606269871 /nfs/dbraw/zinc/26/98/71/606269871.db2.gz AQVQVSJSKXLWBN-UHFFFAOYSA-N -1 3 372.316 2.104 20 5 FEBDHM COc1ccc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821786149 606269872 /nfs/dbraw/zinc/26/98/72/606269872.db2.gz AQVQVSJSKXLWBN-UHFFFAOYSA-N -1 3 372.316 2.104 20 5 FEBDHM CC(C)c1noc(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC000820211354 606645563 /nfs/dbraw/zinc/64/55/63/606645563.db2.gz JVVHKIHIPKFZHG-UHFFFAOYSA-N -1 3 358.362 2.326 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821757596 606675573 /nfs/dbraw/zinc/67/55/73/606675573.db2.gz ZBOWOAHLNSXKPD-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821757596 606675574 /nfs/dbraw/zinc/67/55/74/606675574.db2.gz ZBOWOAHLNSXKPD-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM CCOc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821426883 606721288 /nfs/dbraw/zinc/72/12/88/606721288.db2.gz JLISGGXWOQIPRA-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM CCOc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821426883 606721290 /nfs/dbraw/zinc/72/12/90/606721290.db2.gz JLISGGXWOQIPRA-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000823417703 607079728 /nfs/dbraw/zinc/07/97/28/607079728.db2.gz FXPLGUHVQFIWCA-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000823417703 607079729 /nfs/dbraw/zinc/07/97/29/607079729.db2.gz FXPLGUHVQFIWCA-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(c1sccc1-c1nnn[n-]1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826475257 607834506 /nfs/dbraw/zinc/83/45/06/607834506.db2.gz AHXOVKLOWMBFMI-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM O=C(c1sccc1-c1nn[n-]n1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826475257 607834507 /nfs/dbraw/zinc/83/45/07/607834507.db2.gz AHXOVKLOWMBFMI-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM Cc1ccc(OCC(=O)Nc2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292216 607863496 /nfs/dbraw/zinc/86/34/96/607863496.db2.gz LTCAPCQUJZWBJW-UHFFFAOYSA-N -1 3 360.355 2.162 20 5 FEBDHM Cc1ccc(OCC(=O)Nc2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292216 607863497 /nfs/dbraw/zinc/86/34/97/607863497.db2.gz LTCAPCQUJZWBJW-UHFFFAOYSA-N -1 3 360.355 2.162 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826497365 607936986 /nfs/dbraw/zinc/93/69/86/607936986.db2.gz FDOODIVYFUIDLH-UKRRQHHQSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826497365 607936987 /nfs/dbraw/zinc/93/69/87/607936987.db2.gz FDOODIVYFUIDLH-UKRRQHHQSA-N -1 3 370.344 2.226 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825880041 608128391 /nfs/dbraw/zinc/12/83/91/608128391.db2.gz VMZVTYQMHVGFMU-UHFFFAOYSA-N -1 3 368.353 2.198 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825880041 608128392 /nfs/dbraw/zinc/12/83/92/608128392.db2.gz VMZVTYQMHVGFMU-UHFFFAOYSA-N -1 3 368.353 2.198 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826498898 608499050 /nfs/dbraw/zinc/49/90/50/608499050.db2.gz NPWJDCNELDQEJL-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826498898 608499051 /nfs/dbraw/zinc/49/90/51/608499051.db2.gz NPWJDCNELDQEJL-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM C[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824563843 608563197 /nfs/dbraw/zinc/56/31/97/608563197.db2.gz QQVZSPBVFFGJKC-SECBINFHSA-N -1 3 373.398 2.126 20 5 FEBDHM C[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824563843 608563199 /nfs/dbraw/zinc/56/31/99/608563199.db2.gz QQVZSPBVFFGJKC-SECBINFHSA-N -1 3 373.398 2.126 20 5 FEBDHM Cc1nc2c(s1)[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CCC2 ZINC000826328419 609566158 /nfs/dbraw/zinc/56/61/58/609566158.db2.gz QPOAKHHAXNFMKG-LLVKDONJSA-N -1 3 358.387 2.424 20 5 FEBDHM Cc1nc2c(s1)[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CCC2 ZINC000826328419 609566161 /nfs/dbraw/zinc/56/61/61/609566161.db2.gz QPOAKHHAXNFMKG-LLVKDONJSA-N -1 3 358.387 2.424 20 5 FEBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815014707 674896460 /nfs/dbraw/zinc/89/64/60/674896460.db2.gz YSFFDWQDWREGOE-VIFPVBQESA-N -1 3 365.814 2.007 20 5 FEBDHM C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571333883 670857692 /nfs/dbraw/zinc/85/76/92/670857692.db2.gz QICGAJWJWCVKOA-BZNIZROVSA-N -1 3 368.386 2.275 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCC(C)CC1 ZINC000194727721 672766777 /nfs/dbraw/zinc/76/67/77/672766777.db2.gz ORPUXEFOKNYBLY-GFCCVEGCSA-N -1 3 359.423 2.133 20 5 FEBDHM CC1(C)Cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2C(=O)N1 ZINC000593347268 672911918 /nfs/dbraw/zinc/91/19/18/672911918.db2.gz GGYKJJNSGALBFJ-UHFFFAOYSA-N -1 3 352.397 2.430 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)nc1 ZINC000593547142 672939623 /nfs/dbraw/zinc/93/96/23/672939623.db2.gz MWEZUWXAIPARNZ-UHFFFAOYSA-N -1 3 363.395 2.400 20 5 FEBDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593587918 672951660 /nfs/dbraw/zinc/95/16/60/672951660.db2.gz GQUJIPUNODCQQI-AWEZNQCLSA-N -1 3 351.384 2.046 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000594859005 673167333 /nfs/dbraw/zinc/16/73/33/673167333.db2.gz XCYQASANAXTVMF-LBPRGKRZSA-N -1 3 350.343 2.317 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(C)nn(C)c1C ZINC000462627298 673270223 /nfs/dbraw/zinc/27/02/23/673270223.db2.gz ZKSMWZFIAVEWCF-JTQLQIEISA-N -1 3 358.445 2.436 20 5 FEBDHM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462676474 673273647 /nfs/dbraw/zinc/27/36/47/673273647.db2.gz KDIKVNCWJDYAAF-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM O=C(COC(=O)c1cncc([O-])c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000731915415 673347862 /nfs/dbraw/zinc/34/78/62/673347862.db2.gz WEYYAOFJHYPPDP-UHFFFAOYSA-N -1 3 351.702 2.144 20 5 FEBDHM O=c1[n-]ccc(N2CCC(n3cc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000596123665 673361342 /nfs/dbraw/zinc/36/13/42/673361342.db2.gz ZCKJCEBYKBTMKY-UHFFFAOYSA-N -1 3 368.191 2.496 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000742332114 673723382 /nfs/dbraw/zinc/72/33/82/673723382.db2.gz CNQSIYWEJORPGT-ZETCQYMHSA-N -1 3 367.246 2.141 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(F)cc1[N+](=O)[O-] ZINC000601355954 673847334 /nfs/dbraw/zinc/84/73/34/673847334.db2.gz CGBQUIRBIUEHMB-FZZIBODNSA-N -1 3 358.391 2.134 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)O1 ZINC000601498835 673871033 /nfs/dbraw/zinc/87/10/33/673871033.db2.gz GHDLLSJPWJCXMK-FYBVGQRMSA-N -1 3 368.333 2.458 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000751450684 680177440 /nfs/dbraw/zinc/17/74/40/680177440.db2.gz XOGPQOGLAYVGFQ-LLVKDONJSA-N -1 3 360.775 2.162 20 5 FEBDHM CCOc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c(C)c1 ZINC000759167215 680632658 /nfs/dbraw/zinc/63/26/58/680632658.db2.gz FFASVUMCMCGOJW-UHFFFAOYSA-N -1 3 352.372 2.002 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000780715352 681864970 /nfs/dbraw/zinc/86/49/70/681864970.db2.gz JRMAVTBONAJIKC-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000859319176 683082755 /nfs/dbraw/zinc/08/27/55/683082755.db2.gz QHRBOJSKKSYGBU-JTQLQIEISA-N -1 3 374.802 2.178 20 5 FEBDHM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796104112 683128435 /nfs/dbraw/zinc/12/84/35/683128435.db2.gz NRJZDUMGKLPAFS-ZBEGNZNMSA-N -1 3 368.386 2.443 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)Cc2ccccc2)c(F)c1 ZINC000799830381 683502026 /nfs/dbraw/zinc/50/20/26/683502026.db2.gz QJVKKZYBBGFIKS-CYBMUJFWSA-N -1 3 368.386 2.006 20 5 FEBDHM O=C(Nc1ccc(Cn2cncn2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000024634927 539736378 /nfs/dbraw/zinc/73/63/78/539736378.db2.gz NYULQXWHVNLZGC-UHFFFAOYSA-N -1 3 363.337 2.363 20 5 FEBDHM COCCCn1c(=O)[n-]nc1SCc1cc([N+](=O)[O-])ccc1OC ZINC000029629926 539859279 /nfs/dbraw/zinc/85/92/79/539859279.db2.gz KDQXRHWLSCSILA-UHFFFAOYSA-N -1 3 354.388 2.229 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000030518044 539883541 /nfs/dbraw/zinc/88/35/41/539883541.db2.gz XKCZXKJFMDKSNH-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1sc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1[N+](=O)[O-] ZINC000048166898 540348973 /nfs/dbraw/zinc/34/89/73/540348973.db2.gz REGLLDFUOVITBF-MRXNPFEDSA-N -1 3 374.378 2.272 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000055214427 540636118 /nfs/dbraw/zinc/63/61/18/540636118.db2.gz UTEVKHUTSAVQMX-CYBMUJFWSA-N -1 3 373.431 2.377 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000064958791 541221650 /nfs/dbraw/zinc/22/16/50/541221650.db2.gz DRPXPVUGSLQTNO-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000066000621 541277640 /nfs/dbraw/zinc/27/76/40/541277640.db2.gz BJMIZRLKTINVCM-UHFFFAOYSA-N -1 3 370.456 2.376 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1C ZINC000075215713 542160322 /nfs/dbraw/zinc/16/03/22/542160322.db2.gz ZAXZHWLNABKFJK-UHFFFAOYSA-N -1 3 357.326 2.239 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2C1 ZINC000046033905 208355608 /nfs/dbraw/zinc/35/56/08/208355608.db2.gz AKBXTIFAGUHLSM-CYBMUJFWSA-N -1 3 362.407 2.433 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)cc1C ZINC000097271752 543009699 /nfs/dbraw/zinc/00/96/99/543009699.db2.gz JOLVSDAFMNPPEL-RDJZCZTQSA-N -1 3 362.407 2.148 20 5 FEBDHM NC(=O)c1ccc(Cl)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000110022543 543346521 /nfs/dbraw/zinc/34/65/21/543346521.db2.gz ZTRFPKWRSXYJGR-UHFFFAOYSA-N -1 3 359.729 2.476 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1c(C)noc1C ZINC000113947374 543499865 /nfs/dbraw/zinc/49/98/65/543499865.db2.gz NUTPPBABRRKODW-VIFPVBQESA-N 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ZINC000285139259 551710084 /nfs/dbraw/zinc/71/00/84/551710084.db2.gz LKNWWKVIYFMVKN-SECBINFHSA-N -1 3 372.353 2.229 20 5 FEBDHM COc1cc(C(=O)[N-]c2nncn2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000285592297 551779763 /nfs/dbraw/zinc/77/97/63/551779763.db2.gz BJMVCBZGRJEZAT-UHFFFAOYSA-N -1 3 369.284 2.384 20 5 FEBDHM CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000285601980 551781221 /nfs/dbraw/zinc/78/12/21/551781221.db2.gz MCSZHEDZSCSCEW-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@@H](O)c1ccccc1 ZINC000288454317 552156186 /nfs/dbraw/zinc/15/61/86/552156186.db2.gz RRYWUQMDRXLYHF-MEDUHNTESA-N -1 3 366.395 2.004 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000288488950 552162067 /nfs/dbraw/zinc/16/20/67/552162067.db2.gz WAPIPYQYWUXLEH-ZBEGNZNMSA-N -1 3 366.395 2.004 20 5 FEBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000292119365 552695710 /nfs/dbraw/zinc/69/57/10/552695710.db2.gz WOPUWSAJWRXUHM-UHFFFAOYSA-N -1 3 353.400 2.463 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000292970652 552776101 /nfs/dbraw/zinc/77/61/01/552776101.db2.gz LCKFDKRRMVSALE-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295256507 552976713 /nfs/dbraw/zinc/97/67/13/552976713.db2.gz KXHNEELYTINDSW-SECBINFHSA-N -1 3 370.349 2.301 20 5 FEBDHM CCN(C)C(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295542492 553023269 /nfs/dbraw/zinc/02/32/69/553023269.db2.gz GNLBNPXZASLQNX-ZDUSSCGKSA-N -1 3 357.357 2.306 20 5 FEBDHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000296085688 553102620 /nfs/dbraw/zinc/10/26/20/553102620.db2.gz QGEAEUBZSPEFGR-UHFFFAOYSA-N -1 3 372.834 2.499 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C ZINC000325979333 553778913 /nfs/dbraw/zinc/77/89/13/553778913.db2.gz YQDQMSYIQAKFCB-WDEREUQCSA-N -1 3 356.400 2.096 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000330719907 554162776 /nfs/dbraw/zinc/16/27/76/554162776.db2.gz WJNQTBQDVFJWSW-NWDGAFQWSA-N -1 3 359.423 2.133 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3c(C)nc(C)[n-]c3=O)n2)c1 ZINC000350888348 554820413 /nfs/dbraw/zinc/82/04/13/554820413.db2.gz KBMPMGGTQDBUGB-UHFFFAOYSA-N -1 3 371.353 2.280 20 5 FEBDHM COc1cc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)ccc1[N+](=O)[O-] ZINC000363633958 555151391 /nfs/dbraw/zinc/15/13/91/555151391.db2.gz ITCBHSXLYJDSKH-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000512173792 561894749 /nfs/dbraw/zinc/89/47/49/561894749.db2.gz BWHQYGISPQOUMF-UHFFFAOYSA-N -1 3 362.407 2.359 20 5 FEBDHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000365613614 555622674 /nfs/dbraw/zinc/62/26/74/555622674.db2.gz XMMWFQRFDNSPEW-NSHDSACASA-N -1 3 370.408 2.467 20 5 FEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000532297032 562473051 /nfs/dbraw/zinc/47/30/51/562473051.db2.gz CVEDYRDAEVIOIL-AWEZNQCLSA-N -1 3 370.427 2.303 20 5 FEBDHM COc1cc(CN[C@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000516872902 562061921 /nfs/dbraw/zinc/06/19/21/562061921.db2.gz TTYNFJNRAFPNFE-DTWKUNHWSA-N -1 3 362.329 2.446 20 5 FEBDHM Cn1cc(-c2cc(F)ccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000373620556 557730915 /nfs/dbraw/zinc/73/09/15/557730915.db2.gz BEXFWOHCJXRIBX-UHFFFAOYSA-N -1 3 357.301 2.487 20 5 FEBDHM CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000377220173 558291550 /nfs/dbraw/zinc/29/15/50/558291550.db2.gz DRWUYVDBQWRUFD-YJBOKZPZSA-N -1 3 370.409 2.460 20 5 FEBDHM O=C([N-]c1nncn1Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522735339 562202926 /nfs/dbraw/zinc/20/29/26/562202926.db2.gz DRVMJZPCYQSKNH-UHFFFAOYSA-N -1 3 367.321 2.216 20 5 FEBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCN2CCOc3cccc1c32 ZINC000378418799 558552279 /nfs/dbraw/zinc/55/22/79/558552279.db2.gz YGMMJHBKOZANLV-UHFFFAOYSA-N -1 3 365.349 2.330 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC000384679262 558605783 /nfs/dbraw/zinc/60/57/83/558605783.db2.gz FWIMHPJCGXHCKW-JTQLQIEISA-N -1 3 358.416 2.484 20 5 FEBDHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000408014362 558638330 /nfs/dbraw/zinc/63/83/30/558638330.db2.gz NALVXRKOWCRKQR-MRVPVSSYSA-N -1 3 364.221 2.356 20 5 FEBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000408026504 558639404 /nfs/dbraw/zinc/63/94/04/558639404.db2.gz YMCZHGQAFOMJSZ-MNOVXSKESA-N -1 3 356.400 2.223 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000408376165 558672154 /nfs/dbraw/zinc/67/21/54/558672154.db2.gz VWBGGVVNDMARAG-WFASDCNBSA-N -1 3 372.468 2.236 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000525161575 562241393 /nfs/dbraw/zinc/24/13/93/562241393.db2.gz CXSRHPXQPJBZTB-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc([N+](=O)[O-])c1OC ZINC000525240393 562243670 /nfs/dbraw/zinc/24/36/70/562243670.db2.gz KMAZWFXENOZKCF-UHFFFAOYSA-N -1 3 370.325 2.044 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000416372844 559308242 /nfs/dbraw/zinc/30/82/42/559308242.db2.gz PKRLTHLCCVXAJQ-VIFPVBQESA-N -1 3 368.333 2.319 20 5 FEBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416384420 559309133 /nfs/dbraw/zinc/30/91/33/559309133.db2.gz NQKTVROTNUFFDQ-QMMMGPOBSA-N -1 3 356.322 2.317 20 5 FEBDHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416467855 559315365 /nfs/dbraw/zinc/31/53/65/559315365.db2.gz CWPDNMIUYCASOY-NSHDSACASA-N -1 3 370.349 2.299 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000416471742 559315640 /nfs/dbraw/zinc/31/56/40/559315640.db2.gz QWUPIALSVSXZNU-UHFFFAOYSA-N -1 3 368.333 2.053 20 5 FEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000416552975 559321440 /nfs/dbraw/zinc/32/14/40/559321440.db2.gz BXAXDOWIBSEIDQ-KBPBESRZSA-N -1 3 354.428 2.448 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1 ZINC000416661409 559328397 /nfs/dbraw/zinc/32/83/97/559328397.db2.gz OTCNIBBLMOYIIM-CYBMUJFWSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427143281 559748940 /nfs/dbraw/zinc/74/89/40/559748940.db2.gz HYUGJNPNQJIILK-ZETCQYMHSA-N -1 3 368.733 2.164 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CN(C(C)C)CC3)n1 ZINC000427379023 559754391 /nfs/dbraw/zinc/75/43/91/559754391.db2.gz ZEJHRKHSXFLKMW-UHFFFAOYSA-N -1 3 364.431 2.287 20 5 FEBDHM O=C(CNC(=O)c1cccc([O-])c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000427624205 559759041 /nfs/dbraw/zinc/75/90/41/559759041.db2.gz RJTNNHUNGRRPCQ-UHFFFAOYSA-N -1 3 369.377 2.221 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427891746 559764835 /nfs/dbraw/zinc/76/48/35/559764835.db2.gz BMEZSKGPAQCPLT-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C2CC2)no1 ZINC000432260110 559855027 /nfs/dbraw/zinc/85/50/27/559855027.db2.gz WBSMRFXHHMGLBD-HNNXBMFYSA-N -1 3 366.399 2.198 20 5 FEBDHM CC(=O)c1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1[O-] ZINC000436670453 559948431 /nfs/dbraw/zinc/94/84/31/559948431.db2.gz FXTHWQDXYJLWNH-UHFFFAOYSA-N -1 3 356.334 2.406 20 5 FEBDHM COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436735217 559950303 /nfs/dbraw/zinc/95/03/03/559950303.db2.gz MAOAUBLNLQPPFB-OAHLLOKOSA-N -1 3 359.382 2.342 20 5 FEBDHM COc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc([N+](=O)[O-])c1OC ZINC000439139754 559989066 /nfs/dbraw/zinc/98/90/66/559989066.db2.gz NDINAGWNUDRBLV-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000441538022 560035405 /nfs/dbraw/zinc/03/54/05/560035405.db2.gz UWYDKQDARNXAAT-UHFFFAOYSA-N -1 3 365.411 2.136 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1O ZINC000443162195 560073309 /nfs/dbraw/zinc/07/33/09/560073309.db2.gz YREXJWVMJCZEQG-UHFFFAOYSA-N -1 3 366.395 2.404 20 5 FEBDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443241795 560075885 /nfs/dbraw/zinc/07/58/85/560075885.db2.gz BAIADOGKGWYPTK-SNVBAGLBSA-N -1 3 370.349 2.443 20 5 FEBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc([O-])c(F)c1 ZINC000445143000 560129722 /nfs/dbraw/zinc/12/97/22/560129722.db2.gz WPONZYWPOPIHQQ-UHFFFAOYSA-N -1 3 359.317 2.315 20 5 FEBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000445700170 560133845 /nfs/dbraw/zinc/13/38/45/560133845.db2.gz RXYFNPYBFCROKF-QMMMGPOBSA-N -1 3 357.413 2.408 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1N(C)CCCC1(C)C ZINC000447939358 560173891 /nfs/dbraw/zinc/17/38/91/560173891.db2.gz KAFLHKAQXUJQJV-CQSZACIVSA-N -1 3 355.460 2.302 20 5 FEBDHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451855204 560332656 /nfs/dbraw/zinc/33/26/56/560332656.db2.gz AGQLFFWHTBLCLQ-OLZOCXBDSA-N -1 3 370.427 2.303 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451855911 560332673 /nfs/dbraw/zinc/33/26/73/560332673.db2.gz PAAGIFYAQMPRJT-BXUZGUMPSA-N -1 3 360.457 2.040 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451855479 560332695 /nfs/dbraw/zinc/33/26/95/560332695.db2.gz OVHMINFQVQVWLU-WFASDCNBSA-N -1 3 374.846 2.324 20 5 FEBDHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451860459 560332943 /nfs/dbraw/zinc/33/29/43/560332943.db2.gz MERIIJABRNCKRF-YPMHNXCESA-N -1 3 374.390 2.134 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000451945208 560339816 /nfs/dbraw/zinc/33/98/16/560339816.db2.gz HXNCWXUHDLCGIK-NEPJUHHUSA-N -1 3 350.400 2.392 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)c1[N+](=O)[O-] ZINC000451947009 560340011 /nfs/dbraw/zinc/34/00/11/560340011.db2.gz OECIBYNYKLWOJO-NWDGAFQWSA-N -1 3 350.400 2.392 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463866409 560827291 /nfs/dbraw/zinc/82/72/91/560827291.db2.gz QSMDKBUQZQSSGH-LSDHHAIUSA-N -1 3 372.443 2.474 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000466587742 560890669 /nfs/dbraw/zinc/89/06/69/560890669.db2.gz RKIPQWPHCJFDIA-LSDHHAIUSA-N -1 3 358.391 2.217 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467406694 560909625 /nfs/dbraw/zinc/90/96/25/560909625.db2.gz KSJBWCCSGGEDRM-UHFFFAOYSA-N -1 3 360.388 2.461 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000469365851 560953397 /nfs/dbraw/zinc/95/33/97/560953397.db2.gz WIAJKGHCBKWUTL-MGULZYLOSA-N -1 3 368.411 2.238 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000477174433 561138475 /nfs/dbraw/zinc/13/84/75/561138475.db2.gz HPXDKJFAYDLSPS-LLVKDONJSA-N -1 3 364.379 2.406 20 5 FEBDHM Cc1ccccc1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477188333 561138925 /nfs/dbraw/zinc/13/89/25/561138925.db2.gz FPTWSNHSVQBMBR-UHFFFAOYSA-N -1 3 364.379 2.153 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000531334579 562442492 /nfs/dbraw/zinc/44/24/92/562442492.db2.gz JGIUNNXGWFMGCL-UHFFFAOYSA-N -1 3 370.427 2.448 20 5 FEBDHM Cc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000531468804 562446901 /nfs/dbraw/zinc/44/69/01/562446901.db2.gz LMKDPKGSFXCRFN-LBPRGKRZSA-N -1 3 357.366 2.216 20 5 FEBDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000541311141 562608697 /nfs/dbraw/zinc/60/86/97/562608697.db2.gz BWDHMMRCRNKPPM-CYBMUJFWSA-N -1 3 368.411 2.422 20 5 FEBDHM O=C(NCCNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1ccc([O-])cc1 ZINC000569115180 568280182 /nfs/dbraw/zinc/28/01/82/568280182.db2.gz TWSITODBKXAPTM-UHFFFAOYSA-N -1 3 356.382 2.416 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Oc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370283 598831169 /nfs/dbraw/zinc/83/11/69/598831169.db2.gz UKISBNTZEQTOCF-CQSZACIVSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Oc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370283 598831170 /nfs/dbraw/zinc/83/11/70/598831170.db2.gz UKISBNTZEQTOCF-CQSZACIVSA-N -1 3 367.369 2.218 20 5 FEBDHM CCOc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC ZINC000736624561 598914423 /nfs/dbraw/zinc/91/44/23/598914423.db2.gz DDJDJQGZAYRINA-UHFFFAOYSA-N -1 3 371.357 2.189 20 5 FEBDHM CCOc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC ZINC000736624561 598914424 /nfs/dbraw/zinc/91/44/24/598914424.db2.gz DDJDJQGZAYRINA-UHFFFAOYSA-N -1 3 371.357 2.189 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@H](CCO)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368837 598974006 /nfs/dbraw/zinc/97/40/06/598974006.db2.gz DOZCQNKHJRYPBJ-CYBMUJFWSA-N -1 3 354.370 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@H](CCO)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738368837 598974007 /nfs/dbraw/zinc/97/40/07/598974007.db2.gz DOZCQNKHJRYPBJ-CYBMUJFWSA-N -1 3 354.370 2.353 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](CCO)c1ccccc1 ZINC000738357544 598974287 /nfs/dbraw/zinc/97/42/87/598974287.db2.gz FGVVKBLOCDSCFU-AWEZNQCLSA-N -1 3 354.370 2.353 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](CCO)c1ccccc1 ZINC000738357544 598974289 /nfs/dbraw/zinc/97/42/89/598974289.db2.gz FGVVKBLOCDSCFU-AWEZNQCLSA-N -1 3 354.370 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000823639569 599049386 /nfs/dbraw/zinc/04/93/86/599049386.db2.gz DTTBQPKTSBEEPY-UHFFFAOYSA-N -1 3 371.313 2.174 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737501751 599171653 /nfs/dbraw/zinc/17/16/53/599171653.db2.gz SVOFBHUUPWGTOL-AWEZNQCLSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737501751 599171655 /nfs/dbraw/zinc/17/16/55/599171655.db2.gz SVOFBHUUPWGTOL-AWEZNQCLSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1nn(C)c(C)c1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822492094 607303169 /nfs/dbraw/zinc/30/31/69/607303169.db2.gz QNOUIIFHSRMRPZ-UHFFFAOYSA-N -1 3 365.357 2.417 20 5 FEBDHM Cc1nn(C)c(C)c1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822492094 607303170 /nfs/dbraw/zinc/30/31/70/607303170.db2.gz QNOUIIFHSRMRPZ-UHFFFAOYSA-N -1 3 365.357 2.417 20 5 FEBDHM Cc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822103643 607291958 /nfs/dbraw/zinc/29/19/58/607291958.db2.gz JNEDRLCVROOUTH-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM Cc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822103643 607291959 /nfs/dbraw/zinc/29/19/59/607291959.db2.gz JNEDRLCVROOUTH-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737114467 598281988 /nfs/dbraw/zinc/28/19/88/598281988.db2.gz GAMKFSRDYPEMGM-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737114467 598281989 /nfs/dbraw/zinc/28/19/89/598281989.db2.gz GAMKFSRDYPEMGM-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368920 598375075 /nfs/dbraw/zinc/37/50/75/598375075.db2.gz FQMCXLCMPRKKEK-ZDUSSCGKSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368920 598375076 /nfs/dbraw/zinc/37/50/76/598375076.db2.gz FQMCXLCMPRKKEK-ZDUSSCGKSA-N -1 3 351.370 2.466 20 5 FEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820548943 607355675 /nfs/dbraw/zinc/35/56/75/607355675.db2.gz JBCRIDPYWAUTCI-SECBINFHSA-N -1 3 373.300 2.287 20 5 FEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820548943 607355676 /nfs/dbraw/zinc/35/56/76/607355676.db2.gz JBCRIDPYWAUTCI-SECBINFHSA-N -1 3 373.300 2.287 20 5 FEBDHM C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159091 598485708 /nfs/dbraw/zinc/48/57/08/598485708.db2.gz ULAWBKCFUGHYQL-VIFPVBQESA-N -1 3 354.326 2.275 20 5 FEBDHM C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159091 598485709 /nfs/dbraw/zinc/48/57/09/598485709.db2.gz ULAWBKCFUGHYQL-VIFPVBQESA-N -1 3 354.326 2.275 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368986 598557918 /nfs/dbraw/zinc/55/79/18/598557918.db2.gz HJCYOPKPXQMJOM-SFHVURJKSA-N -1 3 366.381 2.411 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368986 598557919 /nfs/dbraw/zinc/55/79/19/598557919.db2.gz HJCYOPKPXQMJOM-SFHVURJKSA-N -1 3 366.381 2.411 20 5 FEBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738222957 598584151 /nfs/dbraw/zinc/58/41/51/598584151.db2.gz QSJOEAKUIUKTOF-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738222957 598584153 /nfs/dbraw/zinc/58/41/53/598584153.db2.gz QSJOEAKUIUKTOF-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cccc([N+](=O)[O-])c1 ZINC000737949068 598646176 /nfs/dbraw/zinc/64/61/76/598646176.db2.gz WEPGODPTCIEHKN-UHFFFAOYSA-N -1 3 357.351 2.473 20 5 FEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cccc([N+](=O)[O-])c1 ZINC000737949068 598646177 /nfs/dbraw/zinc/64/61/77/598646177.db2.gz WEPGODPTCIEHKN-UHFFFAOYSA-N -1 3 357.351 2.473 20 5 FEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738117523 598651107 /nfs/dbraw/zinc/65/11/07/598651107.db2.gz VAXHXRAUAVCMDH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738117523 598651109 /nfs/dbraw/zinc/65/11/09/598651109.db2.gz VAXHXRAUAVCMDH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM CN(C)C(=O)Cn1ccc([N-]c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000557586654 674455604 /nfs/dbraw/zinc/45/56/04/674455604.db2.gz VINFWNMRZKKISO-UHFFFAOYSA-N -1 3 358.185 2.930 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733604 599305734 /nfs/dbraw/zinc/30/57/34/599305734.db2.gz WJRYFHQBSRBUNE-NYYWCZLTSA-N -1 3 350.338 2.451 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733604 599305735 /nfs/dbraw/zinc/30/57/35/599305735.db2.gz WJRYFHQBSRBUNE-NYYWCZLTSA-N -1 3 350.338 2.451 20 5 FEBDHM CN(Cc1nc2ccccc2s1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821617776 599308789 /nfs/dbraw/zinc/30/87/89/599308789.db2.gz BHVNJZJWVCGINF-UHFFFAOYSA-N -1 3 368.382 2.416 20 5 FEBDHM CN(Cc1nc2ccccc2s1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821617776 599308792 /nfs/dbraw/zinc/30/87/92/599308792.db2.gz BHVNJZJWVCGINF-UHFFFAOYSA-N -1 3 368.382 2.416 20 5 FEBDHM COc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737065457 599310540 /nfs/dbraw/zinc/31/05/40/599310540.db2.gz GKNRSUXJOKGBFB-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737065457 599310543 /nfs/dbraw/zinc/31/05/43/599310543.db2.gz GKNRSUXJOKGBFB-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000821778121 599331749 /nfs/dbraw/zinc/33/17/49/599331749.db2.gz UTOIXBAUWIWXBU-QMMMGPOBSA-N -1 3 359.321 2.491 20 5 FEBDHM COc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000821778121 599331751 /nfs/dbraw/zinc/33/17/51/599331751.db2.gz UTOIXBAUWIWXBU-QMMMGPOBSA-N -1 3 359.321 2.491 20 5 FEBDHM CCO[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821367719 599495493 /nfs/dbraw/zinc/49/54/93/599495493.db2.gz MLKRIQBDESVMPG-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM CCO[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821367719 599495495 /nfs/dbraw/zinc/49/54/95/599495495.db2.gz MLKRIQBDESVMPG-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000820994391 599549486 /nfs/dbraw/zinc/54/94/86/599549486.db2.gz HGIYKADHQGABDS-ZYHUDNBSSA-N -1 3 369.385 2.327 20 5 FEBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000820994391 599549488 /nfs/dbraw/zinc/54/94/88/599549488.db2.gz HGIYKADHQGABDS-ZYHUDNBSSA-N -1 3 369.385 2.327 20 5 FEBDHM O=C1C[C@@H](c2cccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c2)CN1 ZINC000823521681 607388442 /nfs/dbraw/zinc/38/84/42/607388442.db2.gz ZHHBLTLXDSZQSO-LLVKDONJSA-N -1 3 365.353 2.122 20 5 FEBDHM O=C1C[C@@H](c2cccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)CN1 ZINC000823521681 607388444 /nfs/dbraw/zinc/38/84/44/607388444.db2.gz ZHHBLTLXDSZQSO-LLVKDONJSA-N -1 3 365.353 2.122 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821745486 607409411 /nfs/dbraw/zinc/40/94/11/607409411.db2.gz YKWKBELMDBKVJH-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821745486 607409412 /nfs/dbraw/zinc/40/94/12/607409412.db2.gz YKWKBELMDBKVJH-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833173862 601013167 /nfs/dbraw/zinc/01/31/67/601013167.db2.gz WYOAWSHXLROBAI-MEDUHNTESA-N -1 3 360.345 2.441 20 5 FEBDHM COc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204365 607560637 /nfs/dbraw/zinc/56/06/37/607560637.db2.gz IFWVAKJNQNFUNR-UHFFFAOYSA-N -1 3 372.370 2.105 20 5 FEBDHM COc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204365 607560640 /nfs/dbraw/zinc/56/06/40/607560640.db2.gz IFWVAKJNQNFUNR-UHFFFAOYSA-N -1 3 372.370 2.105 20 5 FEBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815734 674511914 /nfs/dbraw/zinc/51/19/14/674511914.db2.gz PPHWMTBRXRHKOL-VIFPVBQESA-N -1 3 365.814 2.007 20 5 FEBDHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837391 674515280 /nfs/dbraw/zinc/51/52/80/674515280.db2.gz ZFFRCPDLIKNISM-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM CN(Cc1nc2c(s1)CCCC2)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616929 606164320 /nfs/dbraw/zinc/16/43/20/606164320.db2.gz OOBINPMCZBCPDZ-UHFFFAOYSA-N -1 3 372.414 2.142 20 5 FEBDHM CN(Cc1nc2c(s1)CCCC2)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616929 606164321 /nfs/dbraw/zinc/16/43/21/606164321.db2.gz OOBINPMCZBCPDZ-UHFFFAOYSA-N -1 3 372.414 2.142 20 5 FEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000822665745 606386720 /nfs/dbraw/zinc/38/67/20/606386720.db2.gz XGJFNMOKZJWDFH-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000822665745 606386722 /nfs/dbraw/zinc/38/67/22/606386722.db2.gz XGJFNMOKZJWDFH-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634834 606644474 /nfs/dbraw/zinc/64/44/74/606644474.db2.gz MYZIFEMHSLTMAK-UHFFFAOYSA-N -1 3 351.370 2.102 20 5 FEBDHM COc1ccc(OC)c(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000821842057 606644780 /nfs/dbraw/zinc/64/47/80/606644780.db2.gz NIHAGXWWKCSNEL-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000823647614 606645528 /nfs/dbraw/zinc/64/55/28/606645528.db2.gz NFTNWWOYVBUHQE-UHFFFAOYSA-N -1 3 370.329 2.207 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000820456541 606645618 /nfs/dbraw/zinc/64/56/18/606645618.db2.gz VFBDNPKOEDDLRW-JTQLQIEISA-N -1 3 353.342 2.214 20 5 FEBDHM Cc1cccc2nc(CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)cn21 ZINC000822341499 606645711 /nfs/dbraw/zinc/64/57/11/606645711.db2.gz YRHQUBIIDVYTFN-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1cccc2nc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)cn21 ZINC000822341499 606645712 /nfs/dbraw/zinc/64/57/12/606645712.db2.gz YRHQUBIIDVYTFN-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM CCOC(=O)c1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1C ZINC000821337260 606720306 /nfs/dbraw/zinc/72/03/06/606720306.db2.gz FHWRRXYIFMQXKF-UHFFFAOYSA-N -1 3 357.330 2.034 20 5 FEBDHM CCOC(=O)c1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1C ZINC000821337260 606720307 /nfs/dbraw/zinc/72/03/07/606720307.db2.gz FHWRRXYIFMQXKF-UHFFFAOYSA-N -1 3 357.330 2.034 20 5 FEBDHM CN(CCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821603618 606806036 /nfs/dbraw/zinc/80/60/36/606806036.db2.gz HBBKYDSTNZLTAW-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM CN(CCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821603618 606806037 /nfs/dbraw/zinc/80/60/37/606806037.db2.gz HBBKYDSTNZLTAW-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM CCNc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821310278 606858289 /nfs/dbraw/zinc/85/82/89/606858289.db2.gz YHSIWFMFKKUWJO-UHFFFAOYSA-N -1 3 353.342 2.459 20 5 FEBDHM CCNc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821310278 606858290 /nfs/dbraw/zinc/85/82/90/606858290.db2.gz YHSIWFMFKKUWJO-UHFFFAOYSA-N -1 3 353.342 2.459 20 5 FEBDHM O=Cc1ccc([N+](=O)[O-])c(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823557273 606867353 /nfs/dbraw/zinc/86/73/53/606867353.db2.gz IKDWEWDQVDEHFY-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM O=Cc1ccc([N+](=O)[O-])c(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823557273 606867355 /nfs/dbraw/zinc/86/73/55/606867355.db2.gz IKDWEWDQVDEHFY-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821522439 606918994 /nfs/dbraw/zinc/91/89/94/606918994.db2.gz KVDSWUMIEYBTAK-UHFFFAOYSA-N -1 3 368.401 2.326 20 5 FEBDHM CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821522439 606918996 /nfs/dbraw/zinc/91/89/96/606918996.db2.gz KVDSWUMIEYBTAK-UHFFFAOYSA-N -1 3 368.401 2.326 20 5 FEBDHM CCc1nnc(NCCc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821542297 606938796 /nfs/dbraw/zinc/93/87/96/606938796.db2.gz OBNNZONFUZMYQF-UHFFFAOYSA-N -1 3 368.401 2.344 20 5 FEBDHM CCc1nnc(NCCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821542297 606938798 /nfs/dbraw/zinc/93/87/98/606938798.db2.gz OBNNZONFUZMYQF-UHFFFAOYSA-N -1 3 368.401 2.344 20 5 FEBDHM C[C@H](C[C@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820231145 606945629 /nfs/dbraw/zinc/94/56/29/606945629.db2.gz BEDUISSPSJXINS-YGRLFVJLSA-N -1 3 355.358 2.094 20 5 FEBDHM C[C@H](C[C@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820231145 606945630 /nfs/dbraw/zinc/94/56/30/606945630.db2.gz BEDUISSPSJXINS-YGRLFVJLSA-N -1 3 355.358 2.094 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3cc(F)ccc3-c3nnn[n-]3)n2)cc1 ZINC000823634855 607040429 /nfs/dbraw/zinc/04/04/29/607040429.db2.gz NPCUQCUTIVQDEH-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3cc(F)ccc3-c3nn[n-]n3)n2)cc1 ZINC000823634855 607040430 /nfs/dbraw/zinc/04/04/30/607040430.db2.gz NPCUQCUTIVQDEH-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820728107 607047575 /nfs/dbraw/zinc/04/75/75/607047575.db2.gz STHPEBBYWGRSHO-NHYWBVRUSA-N -1 3 354.374 2.059 20 5 FEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820728107 607047577 /nfs/dbraw/zinc/04/75/77/607047577.db2.gz STHPEBBYWGRSHO-NHYWBVRUSA-N -1 3 354.374 2.059 20 5 FEBDHM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000826334970 607849044 /nfs/dbraw/zinc/84/90/44/607849044.db2.gz RNIDPWKTUMKXEG-UHFFFAOYSA-N -1 3 362.781 2.336 20 5 FEBDHM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000826334970 607849045 /nfs/dbraw/zinc/84/90/45/607849045.db2.gz RNIDPWKTUMKXEG-UHFFFAOYSA-N -1 3 362.781 2.336 20 5 FEBDHM COc1ccc(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826191962 607968656 /nfs/dbraw/zinc/96/86/56/607968656.db2.gz VRFVMODIZYTBES-LLVKDONJSA-N -1 3 369.385 2.469 20 5 FEBDHM COc1ccc(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826191962 607968657 /nfs/dbraw/zinc/96/86/57/607968657.db2.gz VRFVMODIZYTBES-LLVKDONJSA-N -1 3 369.385 2.469 20 5 FEBDHM O=C(C=Cc1cccnc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403183 608161644 /nfs/dbraw/zinc/16/16/44/608161644.db2.gz LTLUTUSSYRAUSP-ARJAWSKDSA-N -1 3 371.744 2.475 20 5 FEBDHM O=C(C=Cc1cccnc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403183 608161646 /nfs/dbraw/zinc/16/16/46/608161646.db2.gz LTLUTUSSYRAUSP-ARJAWSKDSA-N -1 3 371.744 2.475 20 5 FEBDHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c([N+](=O)[O-])c1 ZINC000826211888 608262959 /nfs/dbraw/zinc/26/29/59/608262959.db2.gz YQXXDIVMULPDDA-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)c([N+](=O)[O-])c1 ZINC000826211888 608262961 /nfs/dbraw/zinc/26/29/61/608262961.db2.gz YQXXDIVMULPDDA-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000826499097 608498762 /nfs/dbraw/zinc/49/87/62/608498762.db2.gz VTVMMUWSJLTXOQ-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000826499097 608498764 /nfs/dbraw/zinc/49/87/64/608498764.db2.gz VTVMMUWSJLTXOQ-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480082 608568089 /nfs/dbraw/zinc/56/80/89/608568089.db2.gz SNQYVIVNGLNWHL-NSHDSACASA-N -1 3 367.369 2.064 20 5 FEBDHM CC[C@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000825075831 609173034 /nfs/dbraw/zinc/17/30/34/609173034.db2.gz RBJXXVFHXDDABY-JTQLQIEISA-N -1 3 370.373 2.354 20 5 FEBDHM CC[C@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000825075831 609173036 /nfs/dbraw/zinc/17/30/36/609173036.db2.gz RBJXXVFHXDDABY-JTQLQIEISA-N -1 3 370.373 2.354 20 5 FEBDHM Cc1nnc(SCCOc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826336961 609308834 /nfs/dbraw/zinc/30/88/34/609308834.db2.gz WBSVEJUWUWREKM-UHFFFAOYSA-N -1 3 373.398 2.353 20 5 FEBDHM Cc1nnc(SCCOc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000826336961 609308835 /nfs/dbraw/zinc/30/88/35/609308835.db2.gz WBSVEJUWUWREKM-UHFFFAOYSA-N -1 3 373.398 2.353 20 5 FEBDHM Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000826290392 609594415 /nfs/dbraw/zinc/59/44/15/609594415.db2.gz KXCKADGXKOTNLR-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000826290392 609594418 /nfs/dbraw/zinc/59/44/18/609594418.db2.gz KXCKADGXKOTNLR-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CCOC ZINC000565034917 675088480 /nfs/dbraw/zinc/08/84/80/675088480.db2.gz HHNPCLLWUYTRGV-CQSZACIVSA-N -1 3 351.403 2.230 20 5 FEBDHM CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CCOC ZINC000565034916 675088568 /nfs/dbraw/zinc/08/85/68/675088568.db2.gz HHNPCLLWUYTRGV-AWEZNQCLSA-N -1 3 351.403 2.230 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccncc2)c1 ZINC000159571367 672283345 /nfs/dbraw/zinc/28/33/45/672283345.db2.gz PESGXZHNIYVBMM-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c(F)cc1[N+](=O)[O-] ZINC000590591839 672594330 /nfs/dbraw/zinc/59/43/30/672594330.db2.gz ZSQKTBVTUROWBF-UHFFFAOYSA-N -1 3 364.358 2.169 20 5 FEBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592084098 672750970 /nfs/dbraw/zinc/75/09/70/672750970.db2.gz UDJZQOJPAFIQDF-NXEZZACHSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594484376 673088315 /nfs/dbraw/zinc/08/83/15/673088315.db2.gz QJUOVQVGWIICJW-UONOGXRCSA-N -1 3 357.407 2.029 20 5 FEBDHM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790393 673143337 /nfs/dbraw/zinc/14/33/37/673143337.db2.gz DWYXXLRXUKNAOJ-CYBMUJFWSA-N -1 3 353.375 2.429 20 5 FEBDHM COC(=O)c1c(Cl)c(N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000596171966 673365244 /nfs/dbraw/zinc/36/52/44/673365244.db2.gz RIVALMWPNRIHGV-UHFFFAOYSA-N -1 3 364.745 2.093 20 5 FEBDHM CCCCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)n1 ZINC000538015589 673417926 /nfs/dbraw/zinc/41/79/26/673417926.db2.gz POHFVROVIRZXNF-UHFFFAOYSA-N -1 3 358.445 2.440 20 5 FEBDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538121893 673422803 /nfs/dbraw/zinc/42/28/03/673422803.db2.gz HSJSXMLKELETFH-VIFPVBQESA-N -1 3 370.408 2.482 20 5 FEBDHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000542317723 673575302 /nfs/dbraw/zinc/57/53/02/673575302.db2.gz FHNIHKOFSHHJAU-RKDXNWHRSA-N -1 3 364.807 2.114 20 5 FEBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)no1 ZINC000598603720 673588695 /nfs/dbraw/zinc/58/86/95/673588695.db2.gz ZEZVIINFGMIJHU-UHFFFAOYSA-N -1 3 354.388 2.117 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000598735326 673604858 /nfs/dbraw/zinc/60/48/58/673604858.db2.gz WPCHLYMNYDHRTC-UHFFFAOYSA-N -1 3 350.400 2.473 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCCC2)c(F)c1 ZINC000599390523 673668259 /nfs/dbraw/zinc/66/82/59/673668259.db2.gz JHXFUEPOZSRLNV-AWEZNQCLSA-N -1 3 371.434 2.419 20 5 FEBDHM CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)on1 ZINC000546628727 673807943 /nfs/dbraw/zinc/80/79/43/673807943.db2.gz VTRXOTDHZFEJIM-UHFFFAOYSA-N -1 3 362.367 2.172 20 5 FEBDHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868951 675625889 /nfs/dbraw/zinc/62/58/89/675625889.db2.gz YDURNEBEXYEWFJ-HTQZYQBOSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868951 675625891 /nfs/dbraw/zinc/62/58/91/675625891.db2.gz YDURNEBEXYEWFJ-HTQZYQBOSA-N -1 3 366.765 2.182 20 5 FEBDHM Cc1cc(=O)[n-]c(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)n1 ZINC000752810363 680260853 /nfs/dbraw/zinc/26/08/53/680260853.db2.gz FIHOZTQNFUNFSF-UHFFFAOYSA-N -1 3 355.397 2.095 20 5 FEBDHM CCOCCO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000775231853 681288257 /nfs/dbraw/zinc/28/82/57/681288257.db2.gz BZKRCRSSXVUFSS-UHFFFAOYSA-N -1 3 351.128 2.194 20 5 FEBDHM Cc1ccc2cccnc2c1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000777939979 681546190 /nfs/dbraw/zinc/54/61/90/681546190.db2.gz JLZBXVVRGYQRJE-UHFFFAOYSA-N -1 3 359.367 2.152 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000779906869 681770086 /nfs/dbraw/zinc/77/00/86/681770086.db2.gz MEWCJXMZGLXCSK-CQSZACIVSA-N -1 3 372.443 2.035 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000785341783 682288942 /nfs/dbraw/zinc/28/89/42/682288942.db2.gz BPUNCHOEGOZFQT-GDGBQDQQSA-N -1 3 361.217 2.434 20 5 FEBDHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853575493 682438038 /nfs/dbraw/zinc/43/80/38/682438038.db2.gz GMIPPQJQOAHMPG-MRXNPFEDSA-N -1 3 352.391 2.437 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000794428492 682968040 /nfs/dbraw/zinc/96/80/40/682968040.db2.gz QIXCJHCSWOSMNH-UHFFFAOYSA-N -1 3 370.119 2.251 20 5 FEBDHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795962274 683112854 /nfs/dbraw/zinc/11/28/54/683112854.db2.gz GPEHJJRHPDGCQN-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)c(F)c1 ZINC000867736296 684367317 /nfs/dbraw/zinc/36/73/17/684367317.db2.gz LHAJAMMHOXMAFY-IAQYHMDHSA-N -1 3 358.391 2.217 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)c(Cl)c1 ZINC000867881411 684417180 /nfs/dbraw/zinc/41/71/80/684417180.db2.gz CFUNIWXUUIIZCL-WCQYABFASA-N -1 3 360.819 2.342 20 5 FEBDHM COc1c([O-])ccc(CN2CCO[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895469747 689722243 /nfs/dbraw/zinc/72/22/43/689722243.db2.gz RDXJTGBSLHUMMM-SNVBAGLBSA-N -1 3 350.293 2.462 20 5 FEBDHM COCc1ccccc1C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000028055615 539825523 /nfs/dbraw/zinc/82/55/23/539825523.db2.gz WXQTWTNOJIKYQJ-UHFFFAOYSA-N -1 3 366.395 2.228 20 5 FEBDHM COCc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000028055569 539825614 /nfs/dbraw/zinc/82/56/14/539825614.db2.gz LSGKHGCNQGKGRB-UHFFFAOYSA-N -1 3 366.395 2.228 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000028333113 539830806 /nfs/dbraw/zinc/83/08/06/539830806.db2.gz ZRZFBMQZQWFTAZ-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM CC(C)(C)OC(=O)NCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000034549909 539976790 /nfs/dbraw/zinc/97/67/90/539976790.db2.gz WIYYJAZUNHDNBJ-UHFFFAOYSA-N -1 3 373.431 2.178 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055943440 540689200 /nfs/dbraw/zinc/68/92/00/540689200.db2.gz YRVGMQRCMAJJKQ-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM Cc1ccc([O-])c(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000537179769 540697540 /nfs/dbraw/zinc/69/75/40/540697540.db2.gz DXSTXMIHUVZZCP-UHFFFAOYSA-N -1 3 367.365 2.394 20 5 FEBDHM COCCOc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000056097808 540702548 /nfs/dbraw/zinc/70/25/48/540702548.db2.gz HGGPUCAMINKYLR-UHFFFAOYSA-N -1 3 366.395 2.099 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068962119 541645307 /nfs/dbraw/zinc/64/53/07/541645307.db2.gz OHMLUPVJUXYNIH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068962119 541645310 /nfs/dbraw/zinc/64/53/10/541645310.db2.gz OHMLUPVJUXYNIH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000101639123 543038407 /nfs/dbraw/zinc/03/84/07/543038407.db2.gz IOAKOQUPQPCLRC-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC000106889748 543252937 /nfs/dbraw/zinc/25/29/37/543252937.db2.gz CMHOZAIXRJCXJB-UHFFFAOYSA-N -1 3 358.322 2.230 20 5 FEBDHM COc1ccccc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122835035 543726609 /nfs/dbraw/zinc/72/66/09/543726609.db2.gz WUEWRPLDTMGOOH-UHFFFAOYSA-N -1 3 356.425 2.494 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000125733672 543898532 /nfs/dbraw/zinc/89/85/32/543898532.db2.gz ILTZJVUPOACGHF-GFCCVEGCSA-N -1 3 350.462 2.286 20 5 FEBDHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000130476012 544152497 /nfs/dbraw/zinc/15/24/97/544152497.db2.gz DCCYEMWOPQTDII-GRYCIOLGSA-N -1 3 361.489 2.301 20 5 FEBDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131270560 544182993 /nfs/dbraw/zinc/18/29/93/544182993.db2.gz RQZCJIABAKFNHW-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1 ZINC000131157157 544178691 /nfs/dbraw/zinc/17/86/91/544178691.db2.gz VNOLVBMPYRIIAQ-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000187852926 328050525 /nfs/dbraw/zinc/05/05/25/328050525.db2.gz XNJWDYDYAVZDBW-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188303185 328079444 /nfs/dbraw/zinc/07/94/44/328079444.db2.gz KQQMSYYPWGDCLU-UHFFFAOYSA-N -1 3 372.425 2.332 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189941290 328177454 /nfs/dbraw/zinc/17/74/54/328177454.db2.gz QLJGNUULPWDGMJ-LBPRGKRZSA-N -1 3 352.416 2.293 20 5 FEBDHM COc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc([N+](=O)[O-])c1C ZINC000190806042 328233741 /nfs/dbraw/zinc/23/37/41/328233741.db2.gz ZBJVMNMPNYXFLY-UHFFFAOYSA-N -1 3 356.342 2.288 20 5 FEBDHM COc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc([N+](=O)[O-])c1C ZINC000190806042 328233742 /nfs/dbraw/zinc/23/37/42/328233742.db2.gz ZBJVMNMPNYXFLY-UHFFFAOYSA-N -1 3 356.342 2.288 20 5 FEBDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000047745751 324643596 /nfs/dbraw/zinc/64/35/96/324643596.db2.gz ASKVSPUCODNNSK-CYBMUJFWSA-N -1 3 359.386 2.040 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000088780577 325301872 /nfs/dbraw/zinc/30/18/72/325301872.db2.gz SYPNLENJQZAWMT-UHFFFAOYSA-N -1 3 353.400 2.495 20 5 FEBDHM Cc1ccc([O-])c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000091978139 325399404 /nfs/dbraw/zinc/39/94/04/325399404.db2.gz ZKMCNAWAMPQHSQ-UHFFFAOYSA-N -1 3 362.411 2.023 20 5 FEBDHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119597605 326179036 /nfs/dbraw/zinc/17/90/36/326179036.db2.gz OGXYXQDJQLKOSG-UHFFFAOYSA-N -1 3 366.443 2.083 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Cn2cccn2)c1C ZINC000119704471 326189638 /nfs/dbraw/zinc/18/96/38/326189638.db2.gz HXMCHSFEMMALAR-NSHDSACASA-N -1 3 352.416 2.023 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155808038 326805856 /nfs/dbraw/zinc/80/58/56/326805856.db2.gz HXLNXVRETVEGPE-CQDKDKBSSA-N -1 3 352.412 2.139 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000156028909 326814898 /nfs/dbraw/zinc/81/48/98/326814898.db2.gz UZZXJCQKCHYTGD-UHFFFAOYSA-N -1 3 353.400 2.495 20 5 FEBDHM COCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162821043 327035519 /nfs/dbraw/zinc/03/55/19/327035519.db2.gz SMMZWEWGOGAWAN-UHFFFAOYSA-N -1 3 356.322 2.319 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000163436955 327051543 /nfs/dbraw/zinc/05/15/43/327051543.db2.gz CHPFYFZCWOHPOG-GFCCVEGCSA-N -1 3 368.333 2.461 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000173223882 327242500 /nfs/dbraw/zinc/24/25/00/327242500.db2.gz LDGIXIWUHPDVBZ-CYBMUJFWSA-N -1 3 351.384 2.428 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000177179338 327503905 /nfs/dbraw/zinc/50/39/05/327503905.db2.gz OTLQTAFHPBCUNG-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1C(C)C ZINC000267690875 329350190 /nfs/dbraw/zinc/35/01/90/329350190.db2.gz FVFITDBAJMWDJE-MLGOLLRUSA-N -1 3 372.443 2.333 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000269830119 329552592 /nfs/dbraw/zinc/55/25/92/329552592.db2.gz ZAPJCAHDXHRPJC-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM COC(=O)c1ccc(OC(C)C)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000272492899 329785460 /nfs/dbraw/zinc/78/54/60/329785460.db2.gz QDKRKTPNOGIGMF-UHFFFAOYSA-N -1 3 362.342 2.154 20 5 FEBDHM COc1cc(CN[C@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000274422832 329947454 /nfs/dbraw/zinc/94/74/54/329947454.db2.gz QUKFQPZJBBQGCA-SNVBAGLBSA-N -1 3 355.391 2.312 20 5 FEBDHM COc1cc(CNc2cc(-c3nncn3C)ccn2)c([N+](=O)[O-])cc1[O-] ZINC000367123560 330219813 /nfs/dbraw/zinc/21/98/13/330219813.db2.gz UADGCEIIQUMTLX-UHFFFAOYSA-N -1 3 356.342 2.112 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155807926 545571980 /nfs/dbraw/zinc/57/19/80/545571980.db2.gz HXLNXVRETVEGPE-GLQYFDAESA-N -1 3 352.412 2.139 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155836610 545575165 /nfs/dbraw/zinc/57/51/65/545575165.db2.gz XHENBEOGTZDMPH-GDLCADMTSA-N -1 3 372.830 2.484 20 5 FEBDHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000158182685 545832671 /nfs/dbraw/zinc/83/26/71/545832671.db2.gz NFUHPYPJARDXOS-PWSUYJOCSA-N -1 3 356.425 2.447 20 5 FEBDHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000158182535 545832681 /nfs/dbraw/zinc/83/26/81/545832681.db2.gz NFUHPYPJARDXOS-JQWIXIFHSA-N -1 3 356.425 2.447 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000158542144 545869977 /nfs/dbraw/zinc/86/99/77/545869977.db2.gz RYBYCVAAXOBIRZ-QWRGUYRKSA-N -1 3 368.333 2.195 20 5 FEBDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000479175949 561183626 /nfs/dbraw/zinc/18/36/26/561183626.db2.gz WFGUDOFRFUREBO-CQSZACIVSA-N -1 3 370.427 2.307 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C ZINC000479234665 561185549 /nfs/dbraw/zinc/18/55/49/561185549.db2.gz NDJATPIMUPLHEB-LLVKDONJSA-N -1 3 358.416 2.302 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([S@@](C)=O)cc1 ZINC000175877533 546365677 /nfs/dbraw/zinc/36/56/77/546365677.db2.gz MJLGVWVBBOMROM-HSZRJFAPSA-N -1 3 368.436 2.119 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000480706982 561214889 /nfs/dbraw/zinc/21/48/89/561214889.db2.gz JUXJZQMUPSXVKO-UHFFFAOYSA-N -1 3 365.411 2.136 20 5 FEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989258 561222300 /nfs/dbraw/zinc/22/23/00/561222300.db2.gz XZQURMSXDXAYND-AWEZNQCLSA-N -1 3 355.460 2.364 20 5 FEBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc([O-])cc1F ZINC000180851586 547195000 /nfs/dbraw/zinc/19/50/00/547195000.db2.gz VRZBJBHAXXKONF-UHFFFAOYSA-N -1 3 367.720 2.461 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000180884405 547201746 /nfs/dbraw/zinc/20/17/46/547201746.db2.gz ZGQWHOIMEIVINE-UHFFFAOYSA-N -1 3 356.317 2.399 20 5 FEBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000182473605 547499105 /nfs/dbraw/zinc/49/91/05/547499105.db2.gz FPLZUTDKVPVWLK-VIFPVBQESA-N -1 3 350.824 2.324 20 5 FEBDHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484246320 561294591 /nfs/dbraw/zinc/29/45/91/561294591.db2.gz 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)cc1C ZINC000194115539 548437791 /nfs/dbraw/zinc/43/77/91/548437791.db2.gz SQGNZORYWQCFJA-CQSZACIVSA-N -1 3 355.460 2.364 20 5 FEBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000487134652 561364568 /nfs/dbraw/zinc/36/45/68/561364568.db2.gz CEZUZTUJKGPFNW-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245971195 549030294 /nfs/dbraw/zinc/03/02/94/549030294.db2.gz ALKFZCBSXQMNNN-DMDPSCGWSA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000248475124 549447788 /nfs/dbraw/zinc/44/77/88/549447788.db2.gz MPEWJNCPMTVAIP-LNSITVRQSA-N -1 3 358.391 2.278 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000489766102 561418636 /nfs/dbraw/zinc/41/86/36/561418636.db2.gz KZEUUWHFFZMRLW-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1 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560899226 /nfs/dbraw/zinc/89/92/26/560899226.db2.gz YFQBYUOPYJTSSS-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM CSC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCOCC1 ZINC000467045686 560902313 /nfs/dbraw/zinc/90/23/13/560902313.db2.gz MTBBZMCTDURZIV-UHFFFAOYSA-N -1 3 366.486 2.155 20 5 FEBDHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000467121889 560904042 /nfs/dbraw/zinc/90/40/42/560904042.db2.gz HRLVLEXPYVBFGN-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000467795454 560917570 /nfs/dbraw/zinc/91/75/70/560917570.db2.gz BSGZBJPSEGJENW-CQSZACIVSA-N -1 3 360.432 2.333 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC000468954065 560943295 /nfs/dbraw/zinc/94/32/95/560943295.db2.gz JSVHBFNRQXNVJN-VXGBXAGGSA-N -1 3 370.427 2.486 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC13CCC(CC1)C3)OCCO2 ZINC000535249478 562553937 /nfs/dbraw/zinc/55/39/37/562553937.db2.gz ZQEDDYDXZBDSGB-UHFFFAOYSA-N -1 3 368.411 2.225 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc(O[C@@H]3CCOC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374502 598856880 /nfs/dbraw/zinc/85/68/80/598856880.db2.gz PORKUTSSAARYIC-CYBMUJFWSA-N -1 3 369.341 2.081 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc(O[C@@H]3CCOC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374502 598856881 /nfs/dbraw/zinc/85/68/81/598856881.db2.gz PORKUTSSAARYIC-CYBMUJFWSA-N -1 3 369.341 2.081 20 5 FEBDHM COCCCN(Cc1ccncc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821687947 607329192 /nfs/dbraw/zinc/32/91/92/607329192.db2.gz WZKHZXUVPYHYAJ-UHFFFAOYSA-N -1 3 369.385 2.213 20 5 FEBDHM COCCCN(Cc1ccncc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821687947 607329193 /nfs/dbraw/zinc/32/91/93/607329193.db2.gz WZKHZXUVPYHYAJ-UHFFFAOYSA-N -1 3 369.385 2.213 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccccc3-c3nnn[n-]3)cc2N1 ZINC000738303907 598235240 /nfs/dbraw/zinc/23/52/40/598235240.db2.gz RYMWYLVINVFVKR-UHFFFAOYSA-N -1 3 352.310 2.452 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccccc3-c3nn[n-]n3)cc2N1 ZINC000738303907 598235241 /nfs/dbraw/zinc/23/52/41/598235241.db2.gz RYMWYLVINVFVKR-UHFFFAOYSA-N -1 3 352.310 2.452 20 5 FEBDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737234281 598257893 /nfs/dbraw/zinc/25/78/93/598257893.db2.gz OFCCBXMICVVRFM-JTQLQIEISA-N -1 3 367.369 2.157 20 5 FEBDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737234281 598257895 /nfs/dbraw/zinc/25/78/95/598257895.db2.gz OFCCBXMICVVRFM-JTQLQIEISA-N -1 3 367.369 2.157 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738233693 598290112 /nfs/dbraw/zinc/29/01/12/598290112.db2.gz SAXDRCHHAIFDNC-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738233693 598290114 /nfs/dbraw/zinc/29/01/14/598290114.db2.gz SAXDRCHHAIFDNC-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CCc1nccn1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736705557 598338845 /nfs/dbraw/zinc/33/88/45/598338845.db2.gz KFMABPPFJGTZLX-CYBMUJFWSA-N -1 3 368.401 2.375 20 5 FEBDHM Cc1cnn([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737442470 598339815 /nfs/dbraw/zinc/33/98/15/598339815.db2.gz GGCOGUGGYMHPLH-ZDUSSCGKSA-N -1 3 354.374 2.121 20 5 FEBDHM Cc1cnn([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737442470 598339818 /nfs/dbraw/zinc/33/98/18/598339818.db2.gz GGCOGUGGYMHPLH-ZDUSSCGKSA-N -1 3 354.374 2.121 20 5 FEBDHM Cc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737455875 598500304 /nfs/dbraw/zinc/50/03/04/598500304.db2.gz ZPOQLJUWFBJUBE-SNVBAGLBSA-N -1 3 372.414 2.319 20 5 FEBDHM Cc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737455875 598500306 /nfs/dbraw/zinc/50/03/06/598500306.db2.gz ZPOQLJUWFBJUBE-SNVBAGLBSA-N -1 3 372.414 2.319 20 5 FEBDHM O=[N+]([O-])c1ccc(Nc2ccn(Cc3ccccn3)n2)c(-c2nnn[n-]2)c1 ZINC000738366067 598521617 /nfs/dbraw/zinc/52/16/17/598521617.db2.gz AZGDJESEZKPHHF-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM O=[N+]([O-])c1ccc(Nc2ccn(Cc3ccccn3)n2)c(-c2nn[n-]n2)c1 ZINC000738366067 598521618 /nfs/dbraw/zinc/52/16/18/598521618.db2.gz AZGDJESEZKPHHF-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849816 598585276 /nfs/dbraw/zinc/58/52/76/598585276.db2.gz HRTPYNPIVHNKKS-UHFFFAOYSA-N -1 3 372.316 2.322 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849816 598585278 /nfs/dbraw/zinc/58/52/78/598585278.db2.gz HRTPYNPIVHNKKS-UHFFFAOYSA-N -1 3 372.316 2.322 20 5 FEBDHM C[C@@H](c1ccccc1)[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736203264 598628002 /nfs/dbraw/zinc/62/80/02/598628002.db2.gz LZMQFLFLPOASAE-NHYWBVRUSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@@H](c1ccccc1)[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736203264 598628004 /nfs/dbraw/zinc/62/80/04/598628004.db2.gz LZMQFLFLPOASAE-NHYWBVRUSA-N -1 3 354.370 2.351 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(F)cc3-c3nnn[n-]3)n2)c1 ZINC000738368011 598646562 /nfs/dbraw/zinc/64/65/62/598646562.db2.gz YMLWVKOGPPCXHD-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(F)cc3-c3nn[n-]n3)n2)c1 ZINC000738368011 598646564 /nfs/dbraw/zinc/64/65/64/598646564.db2.gz YMLWVKOGPPCXHD-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM COC(=O)c1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000736949162 598752133 /nfs/dbraw/zinc/75/21/33/598752133.db2.gz FCDBOGDBLCQGDY-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COC(=O)c1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000736949162 598752134 /nfs/dbraw/zinc/75/21/34/598752134.db2.gz FCDBOGDBLCQGDY-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)ccc1[N+](=O)[O-] ZINC000808346488 674455046 /nfs/dbraw/zinc/45/50/46/674455046.db2.gz BUQQDWPVOMZNKN-UHFFFAOYSA-N -1 3 350.343 2.460 20 5 FEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000736816702 599361804 /nfs/dbraw/zinc/36/18/04/599361804.db2.gz OHCFQTSWSZHSGM-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000736816702 599361806 /nfs/dbraw/zinc/36/18/06/599361806.db2.gz OHCFQTSWSZHSGM-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808572539 674463458 /nfs/dbraw/zinc/46/34/58/674463458.db2.gz GLYPKYAPWGILLC-UHFFFAOYSA-N -1 3 359.148 2.169 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808573583 674463546 /nfs/dbraw/zinc/46/35/46/674463546.db2.gz BBWNDBFWPLGILK-UHFFFAOYSA-N -1 3 373.175 2.478 20 5 FEBDHM C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820329485 599508640 /nfs/dbraw/zinc/50/86/40/599508640.db2.gz WNWOUQOYNGJFOA-LLVKDONJSA-N -1 3 367.369 2.064 20 5 FEBDHM C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820329485 599508642 /nfs/dbraw/zinc/50/86/42/599508642.db2.gz WNWOUQOYNGJFOA-LLVKDONJSA-N -1 3 367.369 2.064 20 5 FEBDHM CCNc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825480983 607438074 /nfs/dbraw/zinc/43/80/74/607438074.db2.gz PIPADTIPXROIET-UHFFFAOYSA-N -1 3 367.369 2.483 20 5 FEBDHM CCNc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825480983 607438076 /nfs/dbraw/zinc/43/80/76/607438076.db2.gz PIPADTIPXROIET-UHFFFAOYSA-N -1 3 367.369 2.483 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCCC2)c1Cl ZINC000829804619 677013626 /nfs/dbraw/zinc/01/36/26/677013626.db2.gz IGDBQHYGCZOMSP-UHFFFAOYSA-N -1 3 368.242 2.276 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000826427851 607447252 /nfs/dbraw/zinc/44/72/52/607447252.db2.gz CXQORKNDKBSAHZ-UHFFFAOYSA-N -1 3 350.338 2.194 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000826427851 607447253 /nfs/dbraw/zinc/44/72/53/607447253.db2.gz CXQORKNDKBSAHZ-UHFFFAOYSA-N -1 3 350.338 2.194 20 5 FEBDHM COCCN1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831743700 602252984 /nfs/dbraw/zinc/25/29/84/602252984.db2.gz CRWUUUSCEJTQNT-UHFFFAOYSA-N -1 3 357.794 2.469 20 5 FEBDHM CCN(CC)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809804652 674510633 /nfs/dbraw/zinc/51/06/33/674510633.db2.gz HYULZLDFXXOOHD-UHFFFAOYSA-N -1 3 353.803 2.007 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826206095 607598985 /nfs/dbraw/zinc/59/89/85/607598985.db2.gz CRVXQMSFYHYWQG-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826206095 607598986 /nfs/dbraw/zinc/59/89/86/607598986.db2.gz CRVXQMSFYHYWQG-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM C[C@@](CNC(=O)[O-])(NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000824952274 604340637 /nfs/dbraw/zinc/34/06/37/604340637.db2.gz MDROSEIYDYLSMT-HNNXBMFYSA-N -1 3 370.793 2.213 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCS[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826501040 607728664 /nfs/dbraw/zinc/72/86/64/607728664.db2.gz XADXBLXAWJOHOD-CQSZACIVSA-N -1 3 369.410 2.464 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCS[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826501040 607728666 /nfs/dbraw/zinc/72/86/66/607728666.db2.gz XADXBLXAWJOHOD-CQSZACIVSA-N -1 3 369.410 2.464 20 5 FEBDHM COc1cc(F)c([N+](=O)[O-])c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821720543 606137470 /nfs/dbraw/zinc/13/74/70/606137470.db2.gz UODCVIHBRJGLHD-UHFFFAOYSA-N -1 3 374.332 2.414 20 5 FEBDHM CCn1ncc2c1CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821568060 606241603 /nfs/dbraw/zinc/24/16/03/606241603.db2.gz FQRILSIJKLWYER-CYBMUJFWSA-N -1 3 354.374 2.481 20 5 FEBDHM CCn1ncc2c1CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821568060 606241604 /nfs/dbraw/zinc/24/16/04/606241604.db2.gz FQRILSIJKLWYER-CYBMUJFWSA-N -1 3 354.374 2.481 20 5 FEBDHM C[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820494613 606397641 /nfs/dbraw/zinc/39/76/41/606397641.db2.gz BNISKQQTZDIGAG-NSHDSACASA-N -1 3 368.353 2.491 20 5 FEBDHM C[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820494613 606397643 /nfs/dbraw/zinc/39/76/43/606397643.db2.gz BNISKQQTZDIGAG-NSHDSACASA-N -1 3 368.353 2.491 20 5 FEBDHM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC000821569408 606971298 /nfs/dbraw/zinc/97/12/98/606971298.db2.gz JDSJSQPQNCTCKD-UHFFFAOYSA-N -1 3 367.369 2.240 20 5 FEBDHM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC000821569408 606971300 /nfs/dbraw/zinc/97/13/00/606971300.db2.gz JDSJSQPQNCTCKD-UHFFFAOYSA-N -1 3 367.369 2.240 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3ccc(F)c(F)c3C2)c(-c2nnn[n-]2)c1 ZINC000823652225 607131852 /nfs/dbraw/zinc/13/18/52/607131852.db2.gz XBKXQCPXVAEVET-UHFFFAOYSA-N -1 3 359.296 2.011 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3ccc(F)c(F)c3C2)c(-c2nn[n-]n2)c1 ZINC000823652225 607131854 /nfs/dbraw/zinc/13/18/54/607131854.db2.gz XBKXQCPXVAEVET-UHFFFAOYSA-N -1 3 359.296 2.011 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823050005 607191253 /nfs/dbraw/zinc/19/12/53/607191253.db2.gz OQPSNAPDIYUUGL-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823050005 607191254 /nfs/dbraw/zinc/19/12/54/607191254.db2.gz OQPSNAPDIYUUGL-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3ccccn3)C2)cc1-c1nnn[n-]1 ZINC000826498110 607841404 /nfs/dbraw/zinc/84/14/04/607841404.db2.gz HTSLTWFUKPFICV-LBPRGKRZSA-N -1 3 366.385 2.108 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(F)c(F)c1 ZINC000826497423 607873424 /nfs/dbraw/zinc/87/34/24/607873424.db2.gz GXXRRTFLNSRVEC-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(F)c(F)c1 ZINC000826497423 607873425 /nfs/dbraw/zinc/87/34/25/607873425.db2.gz GXXRRTFLNSRVEC-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(F)(F)C(F)F ZINC000826450244 608160297 /nfs/dbraw/zinc/16/02/97/608160297.db2.gz CVODDDBJZCKNCX-UHFFFAOYSA-N -1 3 368.634 2.267 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(F)(F)C(F)F ZINC000826450244 608160298 /nfs/dbraw/zinc/16/02/98/608160298.db2.gz CVODDDBJZCKNCX-UHFFFAOYSA-N -1 3 368.634 2.267 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000826167817 608352160 /nfs/dbraw/zinc/35/21/60/608352160.db2.gz RUKKMCJHSJFBQH-UHFFFAOYSA-N -1 3 354.370 2.416 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000826167817 608352162 /nfs/dbraw/zinc/35/21/62/608352162.db2.gz RUKKMCJHSJFBQH-UHFFFAOYSA-N -1 3 354.370 2.416 20 5 FEBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCO1 ZINC000824651261 608363986 /nfs/dbraw/zinc/36/39/86/608363986.db2.gz YGUDGJVDRGZIPZ-OTYXRUKQSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCO1 ZINC000824651261 608363988 /nfs/dbraw/zinc/36/39/88/608363988.db2.gz YGUDGJVDRGZIPZ-OTYXRUKQSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824498193 608405589 /nfs/dbraw/zinc/40/55/89/608405589.db2.gz DFXAQWWHBGCLDS-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824498193 608405590 /nfs/dbraw/zinc/40/55/90/608405590.db2.gz DFXAQWWHBGCLDS-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480341 608433558 /nfs/dbraw/zinc/43/35/58/608433558.db2.gz VWUCKLQPERZTCQ-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480341 608433559 /nfs/dbraw/zinc/43/35/59/608433559.db2.gz VWUCKLQPERZTCQ-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826212631 608438415 /nfs/dbraw/zinc/43/84/15/608438415.db2.gz WEOOOELCJUSQOD-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826212631 608438416 /nfs/dbraw/zinc/43/84/16/608438416.db2.gz WEOOOELCJUSQOD-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc([N+](=O)[O-])ccc1F ZINC000826465793 608443582 /nfs/dbraw/zinc/44/35/82/608443582.db2.gz CLSONFSKKQTOTP-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc([N+](=O)[O-])ccc1F ZINC000826465793 608443584 /nfs/dbraw/zinc/44/35/84/608443584.db2.gz CLSONFSKKQTOTP-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM COc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826204322 609463688 /nfs/dbraw/zinc/46/36/88/609463688.db2.gz GVQQADNAFZXWSA-UHFFFAOYSA-N -1 3 366.341 2.043 20 5 FEBDHM COc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826204322 609463689 /nfs/dbraw/zinc/46/36/89/609463689.db2.gz GVQQADNAFZXWSA-UHFFFAOYSA-N -1 3 366.341 2.043 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc3ccccc32)c(F)c1 ZINC000583957031 672142401 /nfs/dbraw/zinc/14/24/01/672142401.db2.gz HFOGPPIKAAQBEB-UHFFFAOYSA-N -1 3 351.315 2.354 20 5 FEBDHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000584398808 672183757 /nfs/dbraw/zinc/18/37/57/672183757.db2.gz UGKSBZUKFLBNAK-CQSZACIVSA-N -1 3 362.835 2.468 20 5 FEBDHM COCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158136436 672266488 /nfs/dbraw/zinc/26/64/88/672266488.db2.gz FUVHTENIRJEUHT-UHFFFAOYSA-N -1 3 367.221 2.062 20 5 FEBDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000611021733 676011743 /nfs/dbraw/zinc/01/17/43/676011743.db2.gz DAHKBUUBFYQREF-IAQYHMDHSA-N -1 3 368.386 2.177 20 5 FEBDHM CC[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000591328199 672670755 /nfs/dbraw/zinc/67/07/55/672670755.db2.gz BEOTULQDGCPHCP-GFCCVEGCSA-N -1 3 368.333 2.461 20 5 FEBDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593530538 672934880 /nfs/dbraw/zinc/93/48/80/672934880.db2.gz KACNZUYZWUCETB-UHFFFAOYSA-N -1 3 365.411 2.298 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000593531551 672935454 /nfs/dbraw/zinc/93/54/54/672935454.db2.gz ORRQMIAYDMBCQD-UHFFFAOYSA-N -1 3 364.427 2.103 20 5 FEBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547459 672939497 /nfs/dbraw/zinc/93/94/97/672939497.db2.gz PVRAOVMACLMLST-BXUZGUMPSA-N -1 3 357.432 2.109 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3ccc(F)cc3)CC2)nc1 ZINC000593573156 672947897 /nfs/dbraw/zinc/94/78/97/672947897.db2.gz WLSICYXDJBXESL-UHFFFAOYSA-N -1 3 365.386 2.430 20 5 FEBDHM O=C([O-])CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000593746972 672987028 /nfs/dbraw/zinc/98/70/28/672987028.db2.gz ZCRQAWBHSOSIBP-UHFFFAOYSA-N -1 3 370.427 2.088 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000612735735 676095877 /nfs/dbraw/zinc/09/58/77/676095877.db2.gz MMAWDLUVLSTOMT-UHFFFAOYSA-N -1 3 359.367 2.117 20 5 FEBDHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000594863306 673169648 /nfs/dbraw/zinc/16/96/48/673169648.db2.gz HGXAOBNDYPFJFY-CHWSQXEVSA-N -1 3 369.443 2.394 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC000595349912 673230107 /nfs/dbraw/zinc/23/01/07/673230107.db2.gz BKDBDBRGINRLLD-NSHDSACASA-N -1 3 350.343 2.173 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(F)c1 ZINC000595379719 673237920 /nfs/dbraw/zinc/23/79/20/673237920.db2.gz GOBJBQKPOQBQLX-UHOFOFEASA-N -1 3 366.345 2.490 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000545226635 673753130 /nfs/dbraw/zinc/75/31/30/673753130.db2.gz KRAIESJJQNCRQU-GFCCVEGCSA-N -1 3 356.425 2.285 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000745466029 673837885 /nfs/dbraw/zinc/83/78/85/673837885.db2.gz KDROPUSYDHVBHT-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000745466029 673837888 /nfs/dbraw/zinc/83/78/88/673837888.db2.gz KDROPUSYDHVBHT-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CCCOCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601304070 673840383 /nfs/dbraw/zinc/84/03/83/673840383.db2.gz LHMVTWNTTUISDQ-UHFFFAOYSA-N -1 3 362.351 2.212 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601320019 673842293 /nfs/dbraw/zinc/84/22/93/673842293.db2.gz CWKZZICEUFDZJM-ZCFIWIBFSA-N -1 3 362.351 2.210 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)c(F)cc1[N+](=O)[O-] ZINC000820791729 675388513 /nfs/dbraw/zinc/38/85/13/675388513.db2.gz BTDRSBWCJKJABH-CQSZACIVSA-N -1 3 372.349 2.193 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000619651885 676389344 /nfs/dbraw/zinc/38/93/44/676389344.db2.gz UWKZYJYRUSIUQV-UHFFFAOYSA-N -1 3 363.367 2.325 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000751741320 680197335 /nfs/dbraw/zinc/19/73/35/680197335.db2.gz PBBSCQVBCSWVDA-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000751989532 680216373 /nfs/dbraw/zinc/21/63/73/680216373.db2.gz PNNBKZQTUIMTHY-GFCCVEGCSA-N -1 3 362.379 2.134 20 5 FEBDHM O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)[N-]C(=O)c1cccs1 ZINC000752557605 680248683 /nfs/dbraw/zinc/24/86/83/680248683.db2.gz CBKOAASOMYGQMV-UHFFFAOYSA-N -1 3 370.289 2.048 20 5 FEBDHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768505732 680948555 /nfs/dbraw/zinc/94/85/55/680948555.db2.gz JZQPUTTXBDZQLT-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000845923961 681162660 /nfs/dbraw/zinc/16/26/60/681162660.db2.gz YZTSZCYVWNLDHE-HOTGVXAUSA-N -1 3 365.411 2.026 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@](C)(O)c1ccccc1 ZINC000845979352 681168542 /nfs/dbraw/zinc/16/85/42/681168542.db2.gz MNUMPZMGLLGYAJ-BDJLRTHQSA-N -1 3 368.386 2.308 20 5 FEBDHM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000846349763 681229771 /nfs/dbraw/zinc/22/97/71/681229771.db2.gz VWKLQZPAPRLLEL-UHFFFAOYSA-N -1 3 350.310 2.117 20 5 FEBDHM C[C@](O)(C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000848583947 681583387 /nfs/dbraw/zinc/58/33/87/681583387.db2.gz JOYYGKCBYMEKMS-AWEZNQCLSA-N -1 3 356.281 2.183 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000921864223 683599292 /nfs/dbraw/zinc/59/92/92/683599292.db2.gz RFVPBJXVCKINBS-SKDRFNHKSA-N -1 3 368.333 2.149 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000867734472 684365620 /nfs/dbraw/zinc/36/56/20/684365620.db2.gz UHAZCSUWIIVELL-AAEUAGOBSA-N -1 3 360.457 2.448 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000023399130 539714150 /nfs/dbraw/zinc/71/41/50/539714150.db2.gz SILUJQMJXAWYQL-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000023403115 539714229 /nfs/dbraw/zinc/71/42/29/539714229.db2.gz YHPUSTGJIMDXNW-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM COC(=O)CCCCCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000024476598 539732500 /nfs/dbraw/zinc/73/25/00/539732500.db2.gz ZZMMUFANTUEIAI-UHFFFAOYSA-N -1 3 374.415 2.005 20 5 FEBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000026238134 539781619 /nfs/dbraw/zinc/78/16/19/539781619.db2.gz JOUTZXHKQBKJBB-UHFFFAOYSA-N -1 3 354.315 2.321 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029841005 539866296 /nfs/dbraw/zinc/86/62/96/539866296.db2.gz LISYWYMEQCUEKS-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM Cc1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1[N+](=O)[O-] ZINC000046412235 540256074 /nfs/dbraw/zinc/25/60/74/540256074.db2.gz PAQUZGMLTPRIBR-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCCCC1 ZINC000055280962 540642785 /nfs/dbraw/zinc/64/27/85/540642785.db2.gz MIPCESSMDSYHMV-GFCCVEGCSA-N -1 3 359.423 2.134 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000066001524 541277180 /nfs/dbraw/zinc/27/71/80/541277180.db2.gz MQYQQDZAVGAVLB-UHFFFAOYSA-N -1 3 355.441 2.067 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1c(C)noc1C ZINC000072993202 541905346 /nfs/dbraw/zinc/90/53/46/541905346.db2.gz RLGVYOHOEWLMFG-VIFPVBQESA-N -1 3 355.372 2.248 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000104752914 543142601 /nfs/dbraw/zinc/14/26/01/543142601.db2.gz GQQXQUJDLZTKOQ-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000106300077 543222559 /nfs/dbraw/zinc/22/25/59/543222559.db2.gz UOOCMIKJYWIACB-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000106891111 543252834 /nfs/dbraw/zinc/25/28/34/543252834.db2.gz SDPMXBFWOFXTQW-LLVKDONJSA-N -1 3 357.407 2.029 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000106891734 543253075 /nfs/dbraw/zinc/25/30/75/543253075.db2.gz OYPJUGYCFZZGIJ-ZDUSSCGKSA-N -1 3 353.444 2.198 20 5 FEBDHM Cc1c([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000110177941 543351360 /nfs/dbraw/zinc/35/13/60/543351360.db2.gz HQUVTMPYEWZWHZ-UHFFFAOYSA-N -1 3 369.424 2.467 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1ccc(Cl)cc1 ZINC000116922434 543619993 /nfs/dbraw/zinc/61/99/93/543619993.db2.gz XKKJBRUVFKYEKH-UHFFFAOYSA-N -1 3 369.830 2.316 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3OCC[C@@H]32)c(Cl)c1 ZINC000129254367 544100787 /nfs/dbraw/zinc/10/07/87/544100787.db2.gz BGHUMZRDSLSDFG-WXHSDQCUSA-N -1 3 360.819 2.484 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000131035896 544174951 /nfs/dbraw/zinc/17/49/51/544174951.db2.gz LQDZKCPLEIJTOQ-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@H]12 ZINC000146822982 544442267 /nfs/dbraw/zinc/44/22/67/544442267.db2.gz CWIZSBNPUNRIPL-VXGBXAGGSA-N -1 3 359.835 2.153 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000179034191 327622044 /nfs/dbraw/zinc/62/20/44/327622044.db2.gz ACKSIXSFJLCRQE-QMMMGPOBSA-N -1 3 354.306 2.071 20 5 FEBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185497110 327919554 /nfs/dbraw/zinc/91/95/54/327919554.db2.gz RFIAUTZTRJUOOF-UHFFFAOYSA-N -1 3 362.367 2.226 20 5 FEBDHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187118728 328003132 /nfs/dbraw/zinc/00/31/32/328003132.db2.gz GYNWWBIFKNPQKO-CQSZACIVSA-N -1 3 370.409 2.432 20 5 FEBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063629193 324866776 /nfs/dbraw/zinc/86/67/76/324866776.db2.gz LHVXUEOXXPKVLB-UHFFFAOYSA-N -1 3 357.413 2.319 20 5 FEBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119209333 326137582 /nfs/dbraw/zinc/13/75/82/326137582.db2.gz ODUJJDCKFJRYIR-NOZJJQNGSA-N -1 3 350.824 2.324 20 5 FEBDHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000121414571 326336823 /nfs/dbraw/zinc/33/68/23/326336823.db2.gz YRVJVCWHHRFRMZ-OIBJUYFYSA-N -1 3 354.306 2.069 20 5 FEBDHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126412226 326488463 /nfs/dbraw/zinc/48/84/63/326488463.db2.gz MGDXQFUAHMQDSN-UHFFFAOYSA-N -1 3 357.775 2.056 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)Cc1ccccc1 ZINC000129159404 326535631 /nfs/dbraw/zinc/53/56/31/326535631.db2.gz DLMJIYJTGZYPJX-ABAIWWIYSA-N -1 3 368.386 2.004 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000130927015 326565746 /nfs/dbraw/zinc/56/57/46/326565746.db2.gz ARSKJFZAYCJHOE-LBPRGKRZSA-N -1 3 359.423 2.133 20 5 FEBDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000156542536 326835017 /nfs/dbraw/zinc/83/50/17/326835017.db2.gz HPWBMHHVDWDXSD-MRXNPFEDSA-N -1 3 364.423 2.478 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000164139622 327065284 /nfs/dbraw/zinc/06/52/84/327065284.db2.gz 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CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000266467443 329226171 /nfs/dbraw/zinc/22/61/71/329226171.db2.gz JXHBYOOZKUYFAE-UHFFFAOYSA-N -1 3 373.413 2.326 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000267023367 329284309 /nfs/dbraw/zinc/28/43/09/329284309.db2.gz JYKUPHUCJFVWTH-UHFFFAOYSA-N -1 3 366.395 2.099 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000269117643 329487363 /nfs/dbraw/zinc/48/73/63/329487363.db2.gz GAYSWDWYSMNDRR-SWLSCSKDSA-N -1 3 372.468 2.236 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270672994 329621036 /nfs/dbraw/zinc/62/10/36/329621036.db2.gz WTBPVCWZJKOIPT-NHYWBVRUSA-N -1 3 372.443 2.475 20 5 FEBDHM CC(C)(C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000273896107 329900452 /nfs/dbraw/zinc/90/04/52/329900452.db2.gz NMWYJRHXARYHRT-UHFFFAOYSA-N -1 3 360.345 2.092 20 5 FEBDHM COc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c([N+](=O)[O-])cc1OC 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O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481920518 561245524 /nfs/dbraw/zinc/24/55/24/561245524.db2.gz JFQQAPOEPDHYIL-UHFFFAOYSA-N -1 3 368.275 2.072 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481920518 561245525 /nfs/dbraw/zinc/24/55/25/561245525.db2.gz JFQQAPOEPDHYIL-UHFFFAOYSA-N -1 3 368.275 2.072 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481920518 561245526 /nfs/dbraw/zinc/24/55/26/561245526.db2.gz JFQQAPOEPDHYIL-UHFFFAOYSA-N -1 3 368.275 2.072 20 5 FEBDHM CC(C)(C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000482231120 561250800 /nfs/dbraw/zinc/25/08/00/561250800.db2.gz MFNLCZYFIHNORY-UHFFFAOYSA-N -1 3 357.292 2.326 20 5 FEBDHM CC(C)(C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000482231120 561250801 /nfs/dbraw/zinc/25/08/01/561250801.db2.gz MFNLCZYFIHNORY-UHFFFAOYSA-N -1 3 357.292 2.326 20 5 FEBDHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000482231120 561250802 /nfs/dbraw/zinc/25/08/02/561250802.db2.gz MFNLCZYFIHNORY-UHFFFAOYSA-N -1 3 357.292 2.326 20 5 FEBDHM NC(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000485534291 561321460 /nfs/dbraw/zinc/32/14/60/561321460.db2.gz SNSRCQINLMGJRP-UHFFFAOYSA-N -1 3 371.172 2.165 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000269909029 550235300 /nfs/dbraw/zinc/23/53/00/550235300.db2.gz ZZJIDLKFFWPGIS-CQSZACIVSA-N -1 3 366.395 2.005 20 5 FEBDHM C[C@@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494039911 561461183 /nfs/dbraw/zinc/46/11/83/561461183.db2.gz VZWHJVJZYUAASD-DOMZBBRYSA-N -1 3 356.382 2.088 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccco1 ZINC000272382071 550442651 /nfs/dbraw/zinc/44/26/51/550442651.db2.gz GWTBHCZBUMTNNG-GFCCVEGCSA-N -1 3 370.383 2.253 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cs1 ZINC000276664386 550583073 /nfs/dbraw/zinc/58/30/73/550583073.db2.gz FIQXZTAJKXMNJZ-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000276910825 550609993 /nfs/dbraw/zinc/60/99/93/550609993.db2.gz JYGBJSHENYGXEU-IUCAKERBSA-N -1 3 371.394 2.405 20 5 FEBDHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000276910825 550609994 /nfs/dbraw/zinc/60/99/94/550609994.db2.gz JYGBJSHENYGXEU-IUCAKERBSA-N -1 3 371.394 2.405 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000282316094 551211116 /nfs/dbraw/zinc/21/11/16/551211116.db2.gz NBTSMMROAQKCMP-HNNXBMFYSA-N -1 3 370.427 2.231 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)cc1C ZINC000282508503 551239443 /nfs/dbraw/zinc/23/94/43/551239443.db2.gz ZNBLXYFTJKHCBB-UHFFFAOYSA-N -1 3 367.431 2.037 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC(C)CC2)cc1C ZINC000497773994 561508569 /nfs/dbraw/zinc/50/85/69/561508569.db2.gz QUZIWNJKDSMLCD-UHFFFAOYSA-N -1 3 355.460 2.222 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000500965086 561586587 /nfs/dbraw/zinc/58/65/87/561586587.db2.gz NCPRXIGTPGAPKO-IUODEOHRSA-N -1 3 372.443 2.035 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2cc(CN3CCCC3)on2)cc([N+](=O)[O-])c1 ZINC000292013196 552684558 /nfs/dbraw/zinc/68/45/58/552684558.db2.gz UOCWTGJJYMJKTA-UHFFFAOYSA-N -1 3 374.353 2.218 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000501455216 561597952 /nfs/dbraw/zinc/59/79/52/561597952.db2.gz WYOZYHFBRGNJIX-MWLCHTKSSA-N -1 3 350.343 2.342 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000293097703 552788601 /nfs/dbraw/zinc/78/86/01/552788601.db2.gz WDUMCQYBGWSGEV-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COC(=O)C1(CS(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000293187144 552797226 /nfs/dbraw/zinc/79/72/26/552797226.db2.gz YRNUOAKHIKTTLB-UHFFFAOYSA-N -1 3 370.427 2.138 20 5 FEBDHM CC(C)(CCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[N+](=O)[O-] ZINC000295098376 552958662 /nfs/dbraw/zinc/95/86/62/552958662.db2.gz WZYBTZSKWZMPKP-UHFFFAOYSA-N -1 3 373.406 2.040 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CCCCO)c1 ZINC000295856481 553068202 /nfs/dbraw/zinc/06/82/02/553068202.db2.gz XNHLTMMXJRZTAF-SNVBAGLBSA-N -1 3 350.824 2.386 20 5 FEBDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000296077464 553101317 /nfs/dbraw/zinc/10/13/17/553101317.db2.gz RQVCFXLPKJFWAB-UHFFFAOYSA-N -1 3 350.325 2.296 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)cc1C ZINC000503219898 561636981 /nfs/dbraw/zinc/63/69/81/561636981.db2.gz GUGDSCFDAWRRRI-UHFFFAOYSA-N -1 3 366.424 2.399 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000503888911 561649515 /nfs/dbraw/zinc/64/95/15/561649515.db2.gz YRAXOMOCYBIMFR-AWEZNQCLSA-N -1 3 354.384 2.385 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000326106036 553779281 /nfs/dbraw/zinc/77/92/81/553779281.db2.gz BTPMMHPXYJJBOF-GWCFXTLKSA-N -1 3 356.400 2.238 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CO)CCCCC2)cc1C ZINC000326315305 553780147 /nfs/dbraw/zinc/78/01/47/553780147.db2.gz WGLIITJLCWOFRG-UHFFFAOYSA-N -1 3 356.444 2.433 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC000326811481 553783574 /nfs/dbraw/zinc/78/35/74/553783574.db2.gz FRINPYCLPHMXAI-GHMZBOCLSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000507515030 561731513 /nfs/dbraw/zinc/73/15/13/561731513.db2.gz CRRJFQRAFJJKON-CYBMUJFWSA-N -1 3 353.400 2.077 20 5 FEBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000507594340 561734651 /nfs/dbraw/zinc/73/46/51/561734651.db2.gz ABRPZGYPHLPKAD-OCCSQVGLSA-N -1 3 356.382 2.261 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCCC1 ZINC000330410726 554118241 /nfs/dbraw/zinc/11/82/41/554118241.db2.gz KWLYMROYNHTISQ-UHFFFAOYSA-N -1 3 356.400 2.057 20 5 FEBDHM O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc([O-])cc1 ZINC000609849440 554429831 /nfs/dbraw/zinc/42/98/31/554429831.db2.gz DSDPLBMPMGDBFP-UHFFFAOYSA-N -1 3 353.338 2.086 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@](C)(OC)C1(C)C ZINC000332475512 554453021 /nfs/dbraw/zinc/45/30/21/554453021.db2.gz TWODLRZKIPGAPM-DZGCQCFKSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@](C)(OC)C1(C)C ZINC000332475518 554453037 /nfs/dbraw/zinc/45/30/37/554453037.db2.gz TWODLRZKIPGAPM-ZFWWWQNUSA-N -1 3 358.416 2.085 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000511029182 561854399 /nfs/dbraw/zinc/85/43/99/561854399.db2.gz KCABOZZEOPZWPC-VIFPVBQESA-N -1 3 357.338 2.449 20 5 FEBDHM CCc1onc(C)c1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513605651 561944295 /nfs/dbraw/zinc/94/42/95/561944295.db2.gz XAWDZDZVPHWVNS-UHFFFAOYSA-N -1 3 353.356 2.109 20 5 FEBDHM Cc1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367393523 556036774 /nfs/dbraw/zinc/03/67/74/556036774.db2.gz CYYURWFQNWIELR-UHFFFAOYSA-N -1 3 371.328 2.259 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000515760797 562021452 /nfs/dbraw/zinc/02/14/52/562021452.db2.gz NCMIVRUZXQVCIB-SWLSCSKDSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1cc(F)ccc1-n1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000370684692 556939383 /nfs/dbraw/zinc/93/93/83/556939383.db2.gz RIEOWGHWWMSKIG-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FEBDHM O=C([N-]c1ncn(-c2ccccn2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000376165365 558135645 /nfs/dbraw/zinc/13/56/45/558135645.db2.gz HSSZBHGABRYGHY-UHFFFAOYSA-N -1 3 361.321 2.371 20 5 FEBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416382868 559308962 /nfs/dbraw/zinc/30/89/62/559308962.db2.gz HCIRBMOUBFSYLV-MRVPVSSYSA-N -1 3 356.322 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOCC1CC1 ZINC000416392622 559309719 /nfs/dbraw/zinc/30/97/19/559309719.db2.gz TWBIOVHMVOAAGV-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c(Br)c1 ZINC000416645259 559327244 /nfs/dbraw/zinc/32/72/44/559327244.db2.gz JNYSIHAUTXWIJB-QMMMGPOBSA-N -1 3 361.217 2.436 20 5 FEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)Cc1ccc([O-])c(F)c1 ZINC000420639635 559494633 /nfs/dbraw/zinc/49/46/33/559494633.db2.gz SFTDBSVXNCNVRI-GFCCVEGCSA-N -1 3 363.345 2.587 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3nc4c([n-]3)CCC4)co2)cc1 ZINC000427082170 559747433 /nfs/dbraw/zinc/74/74/33/559747433.db2.gz PYMWBVNJMNBUDY-UHFFFAOYSA-N -1 3 374.378 2.436 20 5 FEBDHM COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000432777646 559864519 /nfs/dbraw/zinc/86/45/19/559864519.db2.gz VKLRANVOZVIQGG-UHFFFAOYSA-N -1 3 351.384 2.470 20 5 FEBDHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCC1 ZINC000433466554 559882314 /nfs/dbraw/zinc/88/23/14/559882314.db2.gz NAYZYLHBEDTANR-UHFFFAOYSA-N -1 3 370.427 2.448 20 5 FEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000435646816 559927186 /nfs/dbraw/zinc/92/71/86/559927186.db2.gz LGFSJZIFMOHGCY-UHFFFAOYSA-N -1 3 351.384 2.039 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436685285 559948855 /nfs/dbraw/zinc/94/88/55/559948855.db2.gz LLHOZRITETWVDH-UHFFFAOYSA-N -1 3 372.381 2.469 20 5 FEBDHM CC(=O)c1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1[O-] ZINC000436852930 559954377 /nfs/dbraw/zinc/95/43/77/559954377.db2.gz IYEDAXKDUQMDTL-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000443508115 560085978 /nfs/dbraw/zinc/08/59/78/560085978.db2.gz ICMWBCMYDDONIJ-IUODEOHRSA-N -1 3 372.443 2.213 20 5 FEBDHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cccc21 ZINC000448490843 560188182 /nfs/dbraw/zinc/18/81/82/560188182.db2.gz DTOCBJYJGBKLEX-AWEZNQCLSA-N -1 3 358.354 2.333 20 5 FEBDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000451819682 560330690 /nfs/dbraw/zinc/33/06/90/560330690.db2.gz BIVDWJLBNRXPBY-BXUZGUMPSA-N -1 3 360.407 2.463 20 5 FEBDHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452085354 560350166 /nfs/dbraw/zinc/35/01/66/560350166.db2.gz OBUKXZNUGLNBKL-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM COC(=O)c1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)cn1 ZINC000456198498 560510707 /nfs/dbraw/zinc/51/07/07/560510707.db2.gz YUCGDVVGCGSYCW-UHFFFAOYSA-N -1 3 359.342 2.244 20 5 FEBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000456344643 560516107 /nfs/dbraw/zinc/51/61/07/560516107.db2.gz RSPPUDGJVVLYSX-AWEZNQCLSA-N -1 3 370.409 2.290 20 5 FEBDHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000458655216 560638529 /nfs/dbraw/zinc/63/85/29/560638529.db2.gz LWHAQNUXGJPDEG-ZETCQYMHSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000458655216 560638530 /nfs/dbraw/zinc/63/85/30/560638530.db2.gz LWHAQNUXGJPDEG-ZETCQYMHSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000458655216 560638531 /nfs/dbraw/zinc/63/85/31/560638531.db2.gz LWHAQNUXGJPDEG-ZETCQYMHSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@@]1(c2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)NC(=O)[N-]C1=O ZINC000466308889 560884053 /nfs/dbraw/zinc/88/40/53/560884053.db2.gz QTMUTVWNJPKEIP-KRWDZBQOSA-N -1 3 372.312 2.041 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000467085972 560903317 /nfs/dbraw/zinc/90/33/17/560903317.db2.gz QXVUWZVWDPFZQA-CYBMUJFWSA-N -1 3 370.452 2.409 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C ZINC000469186032 560949276 /nfs/dbraw/zinc/94/92/76/560949276.db2.gz MEQSJAUBVUBDAG-ZWNOBZJWSA-N -1 3 356.400 2.238 20 5 FEBDHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619394 560986016 /nfs/dbraw/zinc/98/60/16/560986016.db2.gz DTNLRBHDXXEIBH-FRRDWIJNSA-N -1 3 373.450 2.379 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000472331844 561024505 /nfs/dbraw/zinc/02/45/05/561024505.db2.gz YSMVDGSAGPAQIS-UHFFFAOYSA-N -1 3 356.791 2.034 20 5 FEBDHM C[C@@]1(c2cccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000473360071 561048290 /nfs/dbraw/zinc/04/82/90/561048290.db2.gz JZTKZAFDNKSQEQ-KRWDZBQOSA-N -1 3 372.312 2.041 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)C(C)(C)CO)c1C ZINC000570438515 568476541 /nfs/dbraw/zinc/47/65/41/568476541.db2.gz ICTSZBRKFPOTNB-OAHLLOKOSA-N -1 3 356.444 2.287 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000570378161 568481847 /nfs/dbraw/zinc/48/18/47/568481847.db2.gz NXWLKQBQXSPZSA-AWEZNQCLSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1ccccc1[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000822350314 599036052 /nfs/dbraw/zinc/03/60/52/599036052.db2.gz CAMNYAAVQIXLFH-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1ccccc1[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000822350314 599036055 /nfs/dbraw/zinc/03/60/55/599036055.db2.gz CAMNYAAVQIXLFH-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1sc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822553122 599177112 /nfs/dbraw/zinc/17/71/12/599177112.db2.gz IUKDMKSHMLKPQT-UHFFFAOYSA-N -1 3 362.346 2.214 20 5 FEBDHM Cc1sc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822553122 599177113 /nfs/dbraw/zinc/17/71/13/599177113.db2.gz IUKDMKSHMLKPQT-UHFFFAOYSA-N -1 3 362.346 2.214 20 5 FEBDHM CN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000821628775 607346217 /nfs/dbraw/zinc/34/62/17/607346217.db2.gz QBPACXUNUBFSAO-UHFFFAOYSA-N -1 3 351.370 2.231 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737284104 598299353 /nfs/dbraw/zinc/29/93/53/598299353.db2.gz ZFFHXCNDKTUQEC-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737284104 598299355 /nfs/dbraw/zinc/29/93/55/598299355.db2.gz ZFFHXCNDKTUQEC-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM CCc1nccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736706031 598338571 /nfs/dbraw/zinc/33/85/71/598338571.db2.gz SCQLNGDKFWJXMQ-ZDUSSCGKSA-N -1 3 368.401 2.375 20 5 FEBDHM CCc1nccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736706031 598338573 /nfs/dbraw/zinc/33/85/73/598338573.db2.gz SCQLNGDKFWJXMQ-ZDUSSCGKSA-N -1 3 368.401 2.375 20 5 FEBDHM C[C@@H]1c2ccccc2OCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736301772 598500605 /nfs/dbraw/zinc/50/06/05/598500605.db2.gz DZLCZHPLQHMAHF-SNVBAGLBSA-N -1 3 353.342 2.130 20 5 FEBDHM C[C@@H]1c2ccccc2OCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736301772 598500606 /nfs/dbraw/zinc/50/06/06/598500606.db2.gz DZLCZHPLQHMAHF-SNVBAGLBSA-N -1 3 353.342 2.130 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1ccc(F)cc1 ZINC000736136172 598679320 /nfs/dbraw/zinc/67/93/20/598679320.db2.gz DPESXZBHWAKCRZ-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC000736136172 598679322 /nfs/dbraw/zinc/67/93/22/598679322.db2.gz DPESXZBHWAKCRZ-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736300222 598735518 /nfs/dbraw/zinc/73/55/18/598735518.db2.gz WBDDWZUEIGWDLR-SNVBAGLBSA-N -1 3 350.338 2.366 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736300222 598735520 /nfs/dbraw/zinc/73/55/20/598735520.db2.gz WBDDWZUEIGWDLR-SNVBAGLBSA-N -1 3 350.338 2.366 20 5 FEBDHM COc1ccccc1CCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737151134 598797243 /nfs/dbraw/zinc/79/72/43/598797243.db2.gz YCJWDMGSDYEVJC-UHFFFAOYSA-N -1 3 354.370 2.462 20 5 FEBDHM COc1ccccc1CCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737151134 598797245 /nfs/dbraw/zinc/79/72/45/598797245.db2.gz YCJWDMGSDYEVJC-UHFFFAOYSA-N -1 3 354.370 2.462 20 5 FEBDHM CC(C)(C)[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907313 599553972 /nfs/dbraw/zinc/55/39/72/599553972.db2.gz NHRSXWDUYAOOFM-ZDUSSCGKSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)(C)[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907313 599553974 /nfs/dbraw/zinc/55/39/74/599553974.db2.gz NHRSXWDUYAOOFM-ZDUSSCGKSA-N -1 3 357.374 2.142 20 5 FEBDHM Cc1c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000826235379 607432297 /nfs/dbraw/zinc/43/22/97/607432297.db2.gz IWRQUQKLAYLLRI-UHFFFAOYSA-N -1 3 370.344 2.428 20 5 FEBDHM Cc1c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000826235379 607432299 /nfs/dbraw/zinc/43/22/99/607432299.db2.gz IWRQUQKLAYLLRI-UHFFFAOYSA-N -1 3 370.344 2.428 20 5 FEBDHM Cc1cc(N2CCC(CN3CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578363893 601545076 /nfs/dbraw/zinc/54/50/76/601545076.db2.gz XBHVNJNEBNTFHG-UHFFFAOYSA-N -1 3 363.414 2.150 20 5 FEBDHM CCN1CCN([C@@H](C)CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829770329 602251409 /nfs/dbraw/zinc/25/14/09/602251409.db2.gz HOYFLYNIDCFEMB-NSHDSACASA-N -1 3 370.837 2.384 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826174280 607651200 /nfs/dbraw/zinc/65/12/00/607651200.db2.gz QFBCSWUMMRUYDO-UHFFFAOYSA-N -1 3 369.337 2.240 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826174280 607651201 /nfs/dbraw/zinc/65/12/01/607651201.db2.gz QFBCSWUMMRUYDO-UHFFFAOYSA-N -1 3 369.337 2.240 20 5 FEBDHM CCOC(=O)CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000825506184 607731180 /nfs/dbraw/zinc/73/11/80/607731180.db2.gz GRIRYZVSTLZFLA-LBPRGKRZSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000825506184 607731181 /nfs/dbraw/zinc/73/11/81/607731181.db2.gz GRIRYZVSTLZFLA-LBPRGKRZSA-N -1 3 374.401 2.335 20 5 FEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833506433 605192938 /nfs/dbraw/zinc/19/29/38/605192938.db2.gz BHHNWSGNONMRRG-AWEZNQCLSA-N -1 3 365.430 2.363 20 5 FEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823078017 606130206 /nfs/dbraw/zinc/13/02/06/606130206.db2.gz DIVVCCAVGIYSIH-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823078017 606130208 /nfs/dbraw/zinc/13/02/08/606130208.db2.gz DIVVCCAVGIYSIH-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821703085 606267077 /nfs/dbraw/zinc/26/70/77/606267077.db2.gz NVNFTUHIYGAKLW-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821703085 606267079 /nfs/dbraw/zinc/26/70/79/606267079.db2.gz NVNFTUHIYGAKLW-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481262 606340445 /nfs/dbraw/zinc/34/04/45/606340445.db2.gz UILFTYQZKHOMJW-JTQLQIEISA-N -1 3 371.357 2.011 20 5 FEBDHM C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481262 606340446 /nfs/dbraw/zinc/34/04/46/606340446.db2.gz UILFTYQZKHOMJW-JTQLQIEISA-N -1 3 371.357 2.011 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823440464 606364867 /nfs/dbraw/zinc/36/48/67/606364867.db2.gz UZHXXDNHIMXBKM-UHFFFAOYSA-N -1 3 366.293 2.273 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823440464 606364868 /nfs/dbraw/zinc/36/48/68/606364868.db2.gz UZHXXDNHIMXBKM-UHFFFAOYSA-N -1 3 366.293 2.273 20 5 FEBDHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821612334 606477687 /nfs/dbraw/zinc/47/76/87/606477687.db2.gz QWPUEPPEWGDTGG-AREMUKBSSA-N -1 3 372.410 2.149 20 5 FEBDHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821612334 606477689 /nfs/dbraw/zinc/47/76/89/606477689.db2.gz QWPUEPPEWGDTGG-AREMUKBSSA-N -1 3 372.410 2.149 20 5 FEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823257450 606627181 /nfs/dbraw/zinc/62/71/81/606627181.db2.gz MXIGGGZJKVMGFV-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823257450 606627182 /nfs/dbraw/zinc/62/71/82/606627182.db2.gz MXIGGGZJKVMGFV-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM CN(CCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821605048 606644841 /nfs/dbraw/zinc/64/48/41/606644841.db2.gz SAUALJOKLKZAFD-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM COc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CC2 ZINC000821849307 606645488 /nfs/dbraw/zinc/64/54/88/606645488.db2.gz CSFPOXYKZKYSGI-UHFFFAOYSA-N -1 3 352.354 2.346 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822983909 606678289 /nfs/dbraw/zinc/67/82/89/606678289.db2.gz XFSSUVNVINRASM-UHFFFAOYSA-N -1 3 370.344 2.163 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822983909 606678290 /nfs/dbraw/zinc/67/82/90/606678290.db2.gz XFSSUVNVINRASM-UHFFFAOYSA-N -1 3 370.344 2.163 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ncccc1Cl ZINC000823630283 606723735 /nfs/dbraw/zinc/72/37/35/606723735.db2.gz VSZLMGOERYKNBT-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ncccc1Cl ZINC000823630283 606723736 /nfs/dbraw/zinc/72/37/36/606723736.db2.gz VSZLMGOERYKNBT-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000823646897 606728620 /nfs/dbraw/zinc/72/86/20/606728620.db2.gz CHPNTUVNQYHNMO-NSHDSACASA-N -1 3 355.333 2.303 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000823646897 606728622 /nfs/dbraw/zinc/72/86/22/606728622.db2.gz CHPNTUVNQYHNMO-NSHDSACASA-N -1 3 355.333 2.303 20 5 FEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823078593 606813388 /nfs/dbraw/zinc/81/33/88/606813388.db2.gz ODJGMYGBYYETBE-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823078593 606813389 /nfs/dbraw/zinc/81/33/89/606813389.db2.gz ODJGMYGBYYETBE-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM Cc1cnc(OCCCOc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822399178 606868979 /nfs/dbraw/zinc/86/89/79/606868979.db2.gz BFRDCUCXCWQECV-UHFFFAOYSA-N -1 3 356.342 2.326 20 5 FEBDHM Cc1cnc(OCCCOc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822399178 606868980 /nfs/dbraw/zinc/86/89/80/606868980.db2.gz BFRDCUCXCWQECV-UHFFFAOYSA-N -1 3 356.342 2.326 20 5 FEBDHM Cc1cc(F)cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000822203245 606924995 /nfs/dbraw/zinc/92/49/95/606924995.db2.gz KRDCCNIVBDWZSI-UHFFFAOYSA-N -1 3 370.344 2.495 20 5 FEBDHM Cc1cc(F)cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000822203245 606924997 /nfs/dbraw/zinc/92/49/97/606924997.db2.gz KRDCCNIVBDWZSI-UHFFFAOYSA-N -1 3 370.344 2.495 20 5 FEBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Cl ZINC000821824516 607038604 /nfs/dbraw/zinc/03/86/04/607038604.db2.gz LJHJKNFUGUJCIE-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Cl ZINC000821824516 607038605 /nfs/dbraw/zinc/03/86/05/607038605.db2.gz LJHJKNFUGUJCIE-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM CC(=O)c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824029522 607873312 /nfs/dbraw/zinc/87/33/12/607873312.db2.gz LZDSAULEYJPOPV-OAHLLOKOSA-N -1 3 369.337 2.090 20 5 FEBDHM CC(=O)c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029522 607873313 /nfs/dbraw/zinc/87/33/13/607873313.db2.gz LZDSAULEYJPOPV-OAHLLOKOSA-N -1 3 369.337 2.090 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])c1 ZINC000826498827 607936151 /nfs/dbraw/zinc/93/61/51/607936151.db2.gz LGGWQCIUGXLNDP-UHFFFAOYSA-N -1 3 353.298 2.377 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])c1 ZINC000826498827 607936152 /nfs/dbraw/zinc/93/61/52/607936152.db2.gz LGGWQCIUGXLNDP-UHFFFAOYSA-N -1 3 353.298 2.377 20 5 FEBDHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1[N+](=O)[O-] ZINC000826258453 607950096 /nfs/dbraw/zinc/95/00/96/607950096.db2.gz MBWJDWMJNVRQIE-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1[N+](=O)[O-] ZINC000826258453 607950097 /nfs/dbraw/zinc/95/00/97/607950097.db2.gz MBWJDWMJNVRQIE-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826498857 608052877 /nfs/dbraw/zinc/05/28/77/608052877.db2.gz MLHGFEVDLCUIBZ-LBPRGKRZSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826498857 608052878 /nfs/dbraw/zinc/05/28/78/608052878.db2.gz MLHGFEVDLCUIBZ-LBPRGKRZSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1sccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500771 608053809 /nfs/dbraw/zinc/05/38/09/608053809.db2.gz LMQCNMICCXUBPU-ZDUSSCGKSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1sccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500771 608053810 /nfs/dbraw/zinc/05/38/10/608053810.db2.gz LMQCNMICCXUBPU-ZDUSSCGKSA-N -1 3 358.383 2.414 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441818 608152215 /nfs/dbraw/zinc/15/22/15/608152215.db2.gz WSURCMSEPGBYNL-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441818 608152216 /nfs/dbraw/zinc/15/22/16/608152216.db2.gz WSURCMSEPGBYNL-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(CC1CCOCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404631 608162021 /nfs/dbraw/zinc/16/20/21/608162021.db2.gz HLMAAHDWHRTOSH-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM O=C(CC1CCOCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826404631 608162022 /nfs/dbraw/zinc/16/20/22/608162022.db2.gz HLMAAHDWHRTOSH-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM CCCCCn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)n1 ZINC000825282510 608443726 /nfs/dbraw/zinc/44/37/26/608443726.db2.gz VORCQHQOSLXQSI-UHFFFAOYSA-N -1 3 371.405 2.477 20 5 FEBDHM CCCCCn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)n1 ZINC000825282510 608443728 /nfs/dbraw/zinc/44/37/28/608443728.db2.gz VORCQHQOSLXQSI-UHFFFAOYSA-N -1 3 371.405 2.477 20 5 FEBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000825323183 609532331 /nfs/dbraw/zinc/53/23/31/609532331.db2.gz QFUYSLIKMXHPRO-UHFFFAOYSA-N -1 3 356.390 2.150 20 5 FEBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000825323183 609532333 /nfs/dbraw/zinc/53/23/33/609532333.db2.gz QFUYSLIKMXHPRO-UHFFFAOYSA-N -1 3 356.390 2.150 20 5 FEBDHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824715703 609631528 /nfs/dbraw/zinc/63/15/28/609631528.db2.gz UMUMPZMRJHKKQD-BMIGLBTASA-N -1 3 369.337 2.113 20 5 FEBDHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824715703 609631529 /nfs/dbraw/zinc/63/15/29/609631529.db2.gz UMUMPZMRJHKKQD-BMIGLBTASA-N -1 3 369.337 2.113 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000068038505 670464853 /nfs/dbraw/zinc/46/48/53/670464853.db2.gz FDVTZPMXOWIFHA-UHFFFAOYSA-N -1 3 351.384 2.470 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)cn1 ZINC000571946167 670942981 /nfs/dbraw/zinc/94/29/81/670942981.db2.gz BAFJYBZBQZCDSU-UHFFFAOYSA-N -1 3 350.325 2.296 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000572393871 670996852 /nfs/dbraw/zinc/99/68/52/670996852.db2.gz BOVDRGVJYSOSCC-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610576881 675982540 /nfs/dbraw/zinc/98/25/40/675982540.db2.gz AOJNINISAGNYMQ-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000160068997 672288809 /nfs/dbraw/zinc/28/88/09/672288809.db2.gz MMTMTKPPGZEGAV-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM CC(=O)NCCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000263447275 672933236 /nfs/dbraw/zinc/93/32/36/672933236.db2.gz YFUDRVUGDPBPAJ-LBPRGKRZSA-N -1 3 351.403 2.129 20 5 FEBDHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593526905 672933766 /nfs/dbraw/zinc/93/37/66/672933766.db2.gz KABLTDAGPQCYDC-ZDUSSCGKSA-N -1 3 365.411 2.436 20 5 FEBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000593562391 672944219 /nfs/dbraw/zinc/94/42/19/672944219.db2.gz UYBPTGOFDCTFHP-KBPBESRZSA-N -1 3 369.443 2.396 20 5 FEBDHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000593589038 672952038 /nfs/dbraw/zinc/95/20/38/672952038.db2.gz QNGKLAYZVVZQJG-UHFFFAOYSA-N -1 3 365.411 2.354 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(C3CC3)ccc2F)nc1 ZINC000593602054 672955191 /nfs/dbraw/zinc/95/51/91/672955191.db2.gz BJVRHGLRLRKLQP-UHFFFAOYSA-N -1 3 351.359 2.485 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)nc1 ZINC000594839526 673158372 /nfs/dbraw/zinc/15/83/72/673158372.db2.gz FJDRRGXDAHZHOH-UHFFFAOYSA-N -1 3 367.358 2.149 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000538758605 673456463 /nfs/dbraw/zinc/45/64/63/673456463.db2.gz ZKSOSDFLVDKYNS-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000599518276 673687689 /nfs/dbraw/zinc/68/76/89/673687689.db2.gz OQTLAAOKZDBNPP-WAAGHKOSSA-N -1 3 368.333 2.317 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(F)cc1[N+](=O)[O-] ZINC000601355953 673847339 /nfs/dbraw/zinc/84/73/39/673847339.db2.gz CGBQUIRBIUEHMB-FZQKWOKYSA-N -1 3 358.391 2.134 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)Br)c(C)cc1[N+](=O)[O-] ZINC000840950642 680856132 /nfs/dbraw/zinc/85/61/32/680856132.db2.gz PSZXWOAXXVJHOA-UHFFFAOYSA-N -1 3 373.175 2.478 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000751441796 680176140 /nfs/dbraw/zinc/17/61/40/680176140.db2.gz RCXMDIFMMSNMHX-NSHDSACASA-N -1 3 368.333 2.053 20 5 FEBDHM CCCCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC 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/nfs/dbraw/zinc/32/53/58/683325358.db2.gz CZMMRTLGEMAFQZ-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000882702556 687446275 /nfs/dbraw/zinc/44/62/75/687446275.db2.gz CWMRCVGXTTVGPW-WAAGHKOSSA-N -1 3 368.333 2.317 20 5 FEBDHM CCC1(CC)CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC[S@]1=O ZINC000893646592 689380584 /nfs/dbraw/zinc/38/05/84/689380584.db2.gz MONQGAMTIMYEOI-XMMPIXPASA-N -1 3 356.444 2.432 20 5 FEBDHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000549695045 674057729 /nfs/dbraw/zinc/05/77/29/674057729.db2.gz HENFHWLQSKGCBX-QMMMGPOBSA-N -1 3 350.356 2.224 20 5 FEBDHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000549695045 674057734 /nfs/dbraw/zinc/05/77/34/674057734.db2.gz HENFHWLQSKGCBX-QMMMGPOBSA-N -1 3 350.356 2.224 20 5 FEBDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000017521532 539642301 /nfs/dbraw/zinc/64/23/01/539642301.db2.gz AVRSMTOPFNDDHK-MRXNPFEDSA-N -1 3 372.406 2.396 20 5 FEBDHM COc1ccc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000021832644 539687793 /nfs/dbraw/zinc/68/77/93/539687793.db2.gz HPSCTVRQTLHCPA-UHFFFAOYSA-N -1 3 368.342 2.398 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000028041841 539824609 /nfs/dbraw/zinc/82/46/09/539824609.db2.gz KPLFMDXCFBJCME-UHFFFAOYSA-N -1 3 351.384 2.175 20 5 FEBDHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000032033500 539926341 /nfs/dbraw/zinc/92/63/41/539926341.db2.gz VHVNBTJUYWXOIA-UHFFFAOYSA-N -1 3 369.424 2.272 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCc1ccco1 ZINC000042986100 540084640 /nfs/dbraw/zinc/08/46/40/540084640.db2.gz NGNKNDIZHFULFI-NSHDSACASA-N -1 3 354.384 2.496 20 5 FEBDHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055989565 540692529 /nfs/dbraw/zinc/69/25/29/540692529.db2.gz TWIQPUYOFSNFBZ-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cn3ccccc3n2)cc1C ZINC000060498589 541114965 /nfs/dbraw/zinc/11/49/65/541114965.db2.gz JSLDZBKCODWMQL-UHFFFAOYSA-N -1 3 374.422 2.380 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000115298859 543558677 /nfs/dbraw/zinc/55/86/77/543558677.db2.gz AVNZHHMDDCAYGY-AWEZNQCLSA-N -1 3 362.407 2.439 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121474517 543695025 /nfs/dbraw/zinc/69/50/25/543695025.db2.gz JJHKFXLNIJXVEU-CQSZACIVSA-N -1 3 350.396 2.305 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)cc1C ZINC000124840558 543845826 /nfs/dbraw/zinc/84/58/26/543845826.db2.gz VABVIHMYORNQAD-HOTGVXAUSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000126053471 543915551 /nfs/dbraw/zinc/91/55/51/543915551.db2.gz BBYHPPUTXNFWGU-UHFFFAOYSA-N -1 3 358.445 2.296 20 5 FEBDHM CN(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000134150791 544296011 /nfs/dbraw/zinc/29/60/11/544296011.db2.gz NETRUPVPDJOVSI-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nccs1 ZINC000150817849 544475397 /nfs/dbraw/zinc/47/53/97/544475397.db2.gz YBUTZMWVCOBCRO-SNVBAGLBSA-N -1 3 357.413 2.490 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)c1C ZINC000151925478 544596337 /nfs/dbraw/zinc/59/63/37/544596337.db2.gz UAGMWGSYMLBVAN-HOTGVXAUSA-N -1 3 362.407 2.148 20 5 FEBDHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179028974 327621754 /nfs/dbraw/zinc/62/17/54/327621754.db2.gz SDOFIBJISKKADG-MRVPVSSYSA-N -1 3 356.322 2.174 20 5 FEBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000182473621 327777058 /nfs/dbraw/zinc/77/70/58/327777058.db2.gz FPLZUTDKVPVWLK-SECBINFHSA-N -1 3 350.824 2.324 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189724180 328164572 /nfs/dbraw/zinc/16/45/72/328164572.db2.gz XPQOAYIABXQTSH-UHFFFAOYSA-N -1 3 361.329 2.412 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000190174616 328192540 /nfs/dbraw/zinc/19/25/40/328192540.db2.gz CLLNTXRZCCYSNE-CQSZACIVSA-N -1 3 355.460 2.364 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000055963292 324792609 /nfs/dbraw/zinc/79/26/09/324792609.db2.gz KLIOICOVICOZAA-LBPRGKRZSA-N -1 3 373.818 2.422 20 5 FEBDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055972505 324792756 /nfs/dbraw/zinc/79/27/56/324792756.db2.gz APVPZOXCCMUEAR-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM Cn1ncc2c1ncc(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c2[O-] ZINC000119279315 326144513 /nfs/dbraw/zinc/14/45/13/326144513.db2.gz BGWRBQSRIRHFOX-UHFFFAOYSA-N -1 3 369.381 2.335 20 5 FEBDHM CC(C)CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167316 326236958 /nfs/dbraw/zinc/23/69/58/326236958.db2.gz JUWQRGRUOHBSGA-GFCCVEGCSA-N -1 3 361.489 2.303 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000121159271 326317466 /nfs/dbraw/zinc/31/74/66/326317466.db2.gz ROWOUFDFQAIQDA-UHFFFAOYSA-N -1 3 364.427 2.305 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)c1C ZINC000151925645 326694723 /nfs/dbraw/zinc/69/47/23/326694723.db2.gz UAGMWGSYMLBVAN-CVEARBPZSA-N -1 3 362.407 2.148 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000158542278 326899341 /nfs/dbraw/zinc/89/93/41/326899341.db2.gz RYBYCVAAXOBIRZ-GHMZBOCLSA-N -1 3 368.333 2.195 20 5 FEBDHM CCN(CC)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162662247 327031249 /nfs/dbraw/zinc/03/12/49/327031249.db2.gz NLXNDKFWFJPQLH-UHFFFAOYSA-N -1 3 369.365 2.234 20 5 FEBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000172408803 327200391 /nfs/dbraw/zinc/20/03/91/327200391.db2.gz PLIFHUPDHIVJML-UHFFFAOYSA-N -1 3 367.361 2.231 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000173227338 327243030 /nfs/dbraw/zinc/24/30/30/327243030.db2.gz YIQUCOKXTSXJJQ-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000173973180 327299137 /nfs/dbraw/zinc/29/91/37/327299137.db2.gz VJINEZAGVQSZQE-UHFFFAOYSA-N -1 3 363.395 2.456 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000175401915 327390718 /nfs/dbraw/zinc/39/07/18/327390718.db2.gz KXCWVRYNSASMOK-UHFFFAOYSA-N -1 3 350.396 2.398 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000175626016 327403011 /nfs/dbraw/zinc/40/30/11/327403011.db2.gz MBBCXZIEAVXBLF-SECBINFHSA-N -1 3 357.413 2.408 20 5 FEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000268493341 329426505 /nfs/dbraw/zinc/42/65/05/329426505.db2.gz MPOMIONOVVYZAF-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM Cc1c(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000273025337 329830994 /nfs/dbraw/zinc/83/09/94/329830994.db2.gz CUOOQUBSEIRFLA-LLVKDONJSA-N -1 3 367.402 2.407 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000273548899 329873904 /nfs/dbraw/zinc/87/39/04/329873904.db2.gz MCGQLQJWHLDWMV-NWDGAFQWSA-N -1 3 358.416 2.087 20 5 FEBDHM Cc1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000275139816 330014777 /nfs/dbraw/zinc/01/47/77/330014777.db2.gz PUDWIAPILMPJRI-UHFFFAOYSA-N -1 3 358.354 2.093 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000281804016 330175587 /nfs/dbraw/zinc/17/55/87/330175587.db2.gz VMVKQOXZLALPFW-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155836848 545575378 /nfs/dbraw/zinc/57/53/78/545575378.db2.gz XHENBEOGTZDMPH-HONMWMINSA-N -1 3 372.830 2.484 20 5 FEBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000156585127 545637338 /nfs/dbraw/zinc/63/73/38/545637338.db2.gz LZSIJIONIGYICA-INIZCTEOSA-N -1 3 364.423 2.478 20 5 FEBDHM Cc1ccc(-c2nnc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)[n-]2)o1 ZINC000160278794 546025383 /nfs/dbraw/zinc/02/53/83/546025383.db2.gz DIUMZXUSOZFTLF-UHFFFAOYSA-N -1 3 359.346 2.123 20 5 FEBDHM Cc1ccc(-c2n[n-]c(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)n2)o1 ZINC000160278794 546025390 /nfs/dbraw/zinc/02/53/90/546025390.db2.gz DIUMZXUSOZFTLF-UHFFFAOYSA-N -1 3 359.346 2.123 20 5 FEBDHM Cc1ccc(-c2nc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)n[n-]2)o1 ZINC000160278794 546025395 /nfs/dbraw/zinc/02/53/95/546025395.db2.gz DIUMZXUSOZFTLF-UHFFFAOYSA-N -1 3 359.346 2.123 20 5 FEBDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000478776310 561174718 /nfs/dbraw/zinc/17/47/18/561174718.db2.gz WUSDBYPREZREKS-OAHLLOKOSA-N -1 3 358.416 2.241 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000479165544 561183318 /nfs/dbraw/zinc/18/33/18/561183318.db2.gz OHHHROAWUYBSSO-NSHDSACASA-N -1 3 356.322 2.149 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000479259362 561186124 /nfs/dbraw/zinc/18/61/24/561186124.db2.gz LBMRWQZRSJNZEC-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c1[N+](=O)[O-] ZINC000481019622 561222963 /nfs/dbraw/zinc/22/29/63/561222963.db2.gz GEUFUGXXBWAQCM-UHFFFAOYSA-N -1 3 364.379 2.419 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000481493526 561234046 /nfs/dbraw/zinc/23/40/46/561234046.db2.gz QGEIZNHRUAURJE-JTQLQIEISA-N -1 3 350.462 2.430 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2Cc3ccccc3[C@@H]2O)c(Cl)c1 ZINC000178710248 546836618 /nfs/dbraw/zinc/83/66/18/546836618.db2.gz RCXMJKNVAJHYOR-ZFWWWQNUSA-N -1 3 368.798 2.185 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@H]2O)c(Cl)c1 ZINC000178710236 546837016 /nfs/dbraw/zinc/83/70/16/546837016.db2.gz RCXMJKNVAJHYOR-UKRRQHHQSA-N -1 3 368.798 2.185 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000181754575 547374281 /nfs/dbraw/zinc/37/42/81/547374281.db2.gz VCSCYBSVQNUBQE-UHFFFAOYSA-N -1 3 352.734 2.329 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[n-]n1 ZINC000181754575 547374282 /nfs/dbraw/zinc/37/42/82/547374282.db2.gz VCSCYBSVQNUBQE-UHFFFAOYSA-N -1 3 352.734 2.329 20 5 FEBDHM COCCCn1c(=O)[n-]nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000484489406 561298522 /nfs/dbraw/zinc/29/85/22/561298522.db2.gz VZMSZBQROQCIJN-UHFFFAOYSA-N -1 3 364.387 2.097 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000184472285 547832480 /nfs/dbraw/zinc/83/24/80/547832480.db2.gz DBLWUIKEHJPOGX-GFCCVEGCSA-N -1 3 363.395 2.041 20 5 FEBDHM COCCCn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])cc1OC ZINC000485369976 561317553 /nfs/dbraw/zinc/31/75/53/561317553.db2.gz CPCXZAJFOQRCTN-UHFFFAOYSA-N -1 3 354.388 2.229 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000185482365 547990913 /nfs/dbraw/zinc/99/09/13/547990913.db2.gz BCPPYYYDFKDZGZ-CQSZACIVSA-N -1 3 362.423 2.364 20 5 FEBDHM CSc1cccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1[N+](=O)[O-] ZINC000485501270 561320485 /nfs/dbraw/zinc/32/04/85/561320485.db2.gz ZOVNSSNLJVFMFT-UHFFFAOYSA-N -1 3 361.305 2.384 20 5 FEBDHM CSc1cccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000485501270 561320486 /nfs/dbraw/zinc/32/04/86/561320486.db2.gz ZOVNSSNLJVFMFT-UHFFFAOYSA-N -1 3 361.305 2.384 20 5 FEBDHM CSc1cccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC000485501270 561320487 /nfs/dbraw/zinc/32/04/87/561320487.db2.gz ZOVNSSNLJVFMFT-UHFFFAOYSA-N -1 3 361.305 2.384 20 5 FEBDHM Cc1nc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000185757660 548030893 /nfs/dbraw/zinc/03/08/93/548030893.db2.gz GBSHCHFSWUIIBG-OAHLLOKOSA-N -1 3 373.394 2.089 20 5 FEBDHM CS(=O)(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000485727418 561326857 /nfs/dbraw/zinc/32/68/57/561326857.db2.gz AMWRAJHMXICFET-UHFFFAOYSA-N -1 3 360.351 2.127 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2cccs2)cc1[N+](=O)[O-] ZINC000186251356 548106795 /nfs/dbraw/zinc/10/67/95/548106795.db2.gz JICHENASPDDDLQ-UHFFFAOYSA-N -1 3 360.388 2.325 20 5 FEBDHM CCc1ccc([C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000186760117 548186577 /nfs/dbraw/zinc/18/65/77/548186577.db2.gz RVGFWGAGRMONHI-INIZCTEOSA-N -1 3 358.398 2.291 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)c1C ZINC000486622444 561352542 /nfs/dbraw/zinc/35/25/42/561352542.db2.gz BALXHJXZMVCVPS-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194656512 548512444 /nfs/dbraw/zinc/51/24/44/548512444.db2.gz KTMYUUNTXGJRPE-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)cc1C ZINC000486684917 561354366 /nfs/dbraw/zinc/35/43/66/561354366.db2.gz OOUFFOQWQYJRIJ-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cscc1C ZINC000487402916 561369302 /nfs/dbraw/zinc/36/93/02/561369302.db2.gz XRHXMHHQKXHEQU-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC000249627782 549612659 /nfs/dbraw/zinc/61/26/59/549612659.db2.gz QSYQTBDYGPCLPQ-DAXOMENPSA-N -1 3 366.439 2.448 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000269117639 550157157 /nfs/dbraw/zinc/15/71/57/550157157.db2.gz GAYSWDWYSMNDRR-DOMZBBRYSA-N -1 3 372.468 2.236 20 5 FEBDHM COC(=O)CCc1csc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000269595440 550209257 /nfs/dbraw/zinc/20/92/57/550209257.db2.gz NPGULNHMHIZCPD-UHFFFAOYSA-N -1 3 367.387 2.256 20 5 FEBDHM C[C@H](c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000274978950 550568971 /nfs/dbraw/zinc/56/89/71/550568971.db2.gz LHNNIDDCNRGROF-GFCCVEGCSA-N -1 3 372.381 2.341 20 5 FEBDHM CCOc1cc(-c2noc(CCn3cc([N+](=O)[O-])nc3C)n2)ccc1[O-] ZINC000278158912 550755539 /nfs/dbraw/zinc/75/55/39/550755539.db2.gz VKIISVLFRLFLLP-UHFFFAOYSA-N -1 3 359.342 2.497 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC[C@@H](C)C2)cc1C ZINC000497542814 561503516 /nfs/dbraw/zinc/50/35/16/561503516.db2.gz RBGNSGBNCZJVMX-GFCCVEGCSA-N -1 3 355.460 2.222 20 5 FEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000497788034 561508809 /nfs/dbraw/zinc/50/88/09/561508809.db2.gz JPBSFBHCDRBPOK-UHFFFAOYSA-N -1 3 356.338 2.472 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000497940492 561511919 /nfs/dbraw/zinc/51/19/19/561511919.db2.gz UDCIRTGAAMTOEC-CABZTGNLSA-N -1 3 370.349 2.192 20 5 FEBDHM CCOC(=O)c1nnc(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)[n-]1 ZINC000287822838 552051557 /nfs/dbraw/zinc/05/15/57/552051557.db2.gz QLKXIXJWVXASCU-UHFFFAOYSA-N -1 3 363.349 2.413 20 5 FEBDHM CCOC(=O)c1nc(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)n[n-]1 ZINC000287822838 552051559 /nfs/dbraw/zinc/05/15/59/552051559.db2.gz QLKXIXJWVXASCU-UHFFFAOYSA-N -1 3 363.349 2.413 20 5 FEBDHM CCOC(=O)c1n[n-]c(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000287822838 552051561 /nfs/dbraw/zinc/05/15/61/552051561.db2.gz QLKXIXJWVXASCU-UHFFFAOYSA-N -1 3 363.349 2.413 20 5 FEBDHM CCOc1cc([N-]C(=O)c2cc3n(n2)CCO3)c([N+](=O)[O-])cc1OCC ZINC000291178892 552596889 /nfs/dbraw/zinc/59/68/89/552596889.db2.gz NZAJNHURQWJZBG-UHFFFAOYSA-N -1 3 362.342 2.233 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000295237181 552973906 /nfs/dbraw/zinc/97/39/06/552973906.db2.gz JBZHHIMLTVFOKH-MRXNPFEDSA-N -1 3 364.423 2.272 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@@H]12 ZINC000299200894 553529806 /nfs/dbraw/zinc/52/98/06/553529806.db2.gz CWIZSBNPUNRIPL-RYUDHWBXSA-N -1 3 359.835 2.153 20 5 FEBDHM NC(=O)c1cc([N+](=O)[O-])cnc1Sc1n[n-]c(-c2ccccc2F)n1 ZINC000301119045 553623389 /nfs/dbraw/zinc/62/33/89/553623389.db2.gz ZTQFVTBBYFJGEY-UHFFFAOYSA-N -1 3 360.330 2.164 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000325509209 553776950 /nfs/dbraw/zinc/77/69/50/553776950.db2.gz NNNJXBKEFUHOBI-ZDUSSCGKSA-N -1 3 358.416 2.239 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C ZINC000325979331 553778613 /nfs/dbraw/zinc/77/86/13/553778613.db2.gz YQDQMSYIQAKFCB-MNOVXSKESA-N -1 3 356.400 2.096 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccccc1C ZINC000326864367 553783990 /nfs/dbraw/zinc/78/39/90/553783990.db2.gz VHRPFAPLYGZBBH-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000507112411 561717923 /nfs/dbraw/zinc/71/79/23/561717923.db2.gz SNABYLRPFAFPKB-UHFFFAOYSA-N -1 3 372.381 2.359 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507380843 561727152 /nfs/dbraw/zinc/72/71/52/561727152.db2.gz MJOCKQKXRTVHQT-ZIAGYGMSSA-N -1 3 355.460 2.444 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000330956220 554194218 /nfs/dbraw/zinc/19/42/18/554194218.db2.gz NEZHMDPFNNEETJ-MISXGVKJSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)cc1C ZINC000331039883 554205055 /nfs/dbraw/zinc/20/50/55/554205055.db2.gz CLCNTAMSWAKIIP-CQSZACIVSA-N -1 3 355.460 2.363 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314270 554245971 /nfs/dbraw/zinc/24/59/71/554245971.db2.gz WVCUQOYIGNGZEY-KGLIPLIRSA-N -1 3 355.460 2.302 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436497 554264274 /nfs/dbraw/zinc/26/42/74/554264274.db2.gz CWZZTQNUZDAEMK-SKDRFNHKSA-N -1 3 359.835 2.009 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502468 554275345 /nfs/dbraw/zinc/27/53/45/554275345.db2.gz LWDITHTWCIHCMV-CABZTGNLSA-N -1 3 359.835 2.009 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520025 554279242 /nfs/dbraw/zinc/27/92/42/554279242.db2.gz NUYCXRTVLFRSQM-ZANVPECISA-N -1 3 359.835 2.009 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC1CCCC1)OCCO2 ZINC000331684168 554307865 /nfs/dbraw/zinc/30/78/65/554307865.db2.gz SCTVRYZYPQSKGN-UHFFFAOYSA-N -1 3 356.400 2.225 20 5 FEBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])nc2c1 ZINC000509764462 561813273 /nfs/dbraw/zinc/81/32/73/561813273.db2.gz VKHBVIVFFVQWNR-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)c1[N+](=O)[O-] ZINC000510448572 561834965 /nfs/dbraw/zinc/83/49/65/561834965.db2.gz VNXXYJYVBAJFAQ-CYBMUJFWSA-N -1 3 364.427 2.375 20 5 FEBDHM Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N(C)C ZINC000510523196 561837471 /nfs/dbraw/zinc/83/74/71/561837471.db2.gz LGLFNIMMVSFGPH-MLGOLLRUSA-N -1 3 358.398 2.425 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000510603790 561840416 /nfs/dbraw/zinc/84/04/16/561840416.db2.gz ZNTRBWNBLJVGOG-CQSZACIVSA-N -1 3 360.432 2.333 20 5 FEBDHM O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365236828 555518789 /nfs/dbraw/zinc/51/87/89/555518789.db2.gz TXLUZXXXGDOUQD-UHFFFAOYSA-N -1 3 353.294 2.110 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2COc3cccc(F)c32)cc1 ZINC000371727420 557276086 /nfs/dbraw/zinc/27/60/86/557276086.db2.gz KSVDYWZWNYCOGC-CYBMUJFWSA-N -1 3 352.343 2.287 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCc2c[nH]nc21 ZINC000372360309 557449538 /nfs/dbraw/zinc/44/95/38/557449538.db2.gz NGXVLBAOIUVDHY-CYBMUJFWSA-N -1 3 352.354 2.767 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1cccnc1 ZINC000372425077 557467311 /nfs/dbraw/zinc/46/73/11/557467311.db2.gz GUUIAKKGJYDVBW-YOEHRIQHSA-N -1 3 356.382 2.118 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1C ZINC000372789717 557562996 /nfs/dbraw/zinc/56/29/96/557562996.db2.gz FRBFEJYJNYQQJO-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1C ZINC000372789717 557562999 /nfs/dbraw/zinc/56/29/99/557562999.db2.gz FRBFEJYJNYQQJO-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000373347462 557677045 /nfs/dbraw/zinc/67/70/45/557677045.db2.gz LVVJVQXNTKLVRM-JKSUJKDBSA-N -1 3 370.427 2.087 20 5 FEBDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000388807816 558609137 /nfs/dbraw/zinc/60/91/37/558609137.db2.gz QNCNMDVBDGQJLT-MFKMUULPSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]1(C)CC=CCC1 ZINC000398266313 558625942 /nfs/dbraw/zinc/62/59/42/558625942.db2.gz CINXBNKGLQJYBW-HNNXBMFYSA-N -1 3 354.384 2.159 20 5 FEBDHM C[C@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)NC(=O)[N-]C1=O ZINC000413275884 559094658 /nfs/dbraw/zinc/09/46/58/559094658.db2.gz BUWYCOQPZHKONW-BBATYDOGSA-N -1 3 369.381 2.100 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CO ZINC000416498687 559317919 /nfs/dbraw/zinc/31/79/19/559317919.db2.gz YGCNZMWVQCLXMY-WPRPVWTQSA-N -1 3 368.333 2.053 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C)c(C)n1 ZINC000416546208 559320903 /nfs/dbraw/zinc/32/09/03/559320903.db2.gz JIBPEWMYADUHPH-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000416575146 559322847 /nfs/dbraw/zinc/32/28/47/559322847.db2.gz AICYSUFWQOPDOK-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)OCC1CC1 ZINC000416600074 559324298 /nfs/dbraw/zinc/32/42/98/559324298.db2.gz QVDLHSCHAQMGTD-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000427085302 559747552 /nfs/dbraw/zinc/74/75/52/559747552.db2.gz QIZLYMFTLCWYIV-UHFFFAOYSA-N -1 3 363.337 2.432 20 5 FEBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000427085302 559747553 /nfs/dbraw/zinc/74/75/53/559747553.db2.gz QIZLYMFTLCWYIV-UHFFFAOYSA-N -1 3 363.337 2.432 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000436191984 559937331 /nfs/dbraw/zinc/93/73/31/559937331.db2.gz REGXMWJTQVDEBS-NSHDSACASA-N -1 3 360.388 2.461 20 5 FEBDHM CN(C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436964936 559957614 /nfs/dbraw/zinc/95/76/14/559957614.db2.gz JEMAITWKKAKSEI-UHFFFAOYSA-N -1 3 373.409 2.213 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000439199842 559989963 /nfs/dbraw/zinc/98/99/63/559989963.db2.gz HJBJDJGUCWLVGK-HNNXBMFYSA-N -1 3 358.416 2.115 20 5 FEBDHM COc1ccc2c(c1)[n-]cc(C(=O)NCCc1ccccc1[N+](=O)[O-])c2=O ZINC000440263228 560007642 /nfs/dbraw/zinc/00/76/42/560007642.db2.gz ZUVWDCREQXLIEU-UHFFFAOYSA-N -1 3 367.361 2.417 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442933306 560062629 /nfs/dbraw/zinc/06/26/29/560062629.db2.gz JPHJWGMSVWAWIP-UHFFFAOYSA-N -1 3 358.232 2.429 20 5 FEBDHM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000444858427 560122693 /nfs/dbraw/zinc/12/26/93/560122693.db2.gz MQYLQZLLACSCER-MRXNPFEDSA-N -1 3 370.409 2.262 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000451824523 560330965 /nfs/dbraw/zinc/33/09/65/560330965.db2.gz PEAQATYPVDPHTR-SECBINFHSA-N -1 3 350.343 2.317 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451861104 560333068 /nfs/dbraw/zinc/33/30/68/560333068.db2.gz UTRCCNQHFOGYHH-DOMZBBRYSA-N -1 3 374.846 2.324 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000451862806 560333182 /nfs/dbraw/zinc/33/31/82/560333182.db2.gz VQUNQVRPGFHEJZ-LSDHHAIUSA-N -1 3 368.455 2.287 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000451945211 560339799 /nfs/dbraw/zinc/33/97/99/560339799.db2.gz HXNCWXUHDLCGIK-VXGBXAGGSA-N -1 3 350.400 2.392 20 5 FEBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000452054109 560348346 /nfs/dbraw/zinc/34/83/46/560348346.db2.gz QHNQDSYNRHBUBO-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000452073529 560349468 /nfs/dbraw/zinc/34/94/68/560349468.db2.gz ZCFDVJVKIFGYPT-CHWSQXEVSA-N -1 3 358.416 2.229 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000460137643 560736249 /nfs/dbraw/zinc/73/62/49/560736249.db2.gz IEPBCOHFUVYDCY-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM Cc1nc(C)c(CCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(=O)[n-]1 ZINC000461397029 560769814 /nfs/dbraw/zinc/76/98/14/560769814.db2.gz RKBHPRBPNFWIOR-UHFFFAOYSA-N -1 3 372.381 2.061 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466540719 560889168 /nfs/dbraw/zinc/88/91/68/560889168.db2.gz PFUPOPCKZUBIPZ-LBPRGKRZSA-N -1 3 352.343 2.454 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)cc1[N+](=O)[O-] ZINC000467070083 560902967 /nfs/dbraw/zinc/90/29/67/560902967.db2.gz UMWGNNGSGSKBKR-UHFFFAOYSA-N -1 3 358.426 2.152 20 5 FEBDHM CCO[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000467781488 560917203 /nfs/dbraw/zinc/91/72/03/560917203.db2.gz FDFYCKCEXBZURM-CYBMUJFWSA-N -1 3 360.432 2.333 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000469217299 560950258 /nfs/dbraw/zinc/95/02/58/560950258.db2.gz GHWTWCPACSOOFE-QWRGUYRKSA-N -1 3 356.400 2.238 20 5 FEBDHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476949294 561132795 /nfs/dbraw/zinc/13/27/95/561132795.db2.gz IDFZCZBVCDIYTJ-NEPJUHHUSA-N -1 3 370.427 2.471 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc([S@](C)=O)cc1 ZINC000534409105 562533728 /nfs/dbraw/zinc/53/37/28/562533728.db2.gz NHLHJJBOEMRFDJ-AUADJRAKSA-N -1 3 374.465 2.433 20 5 FEBDHM CCC(CC)[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000534884282 562544538 /nfs/dbraw/zinc/54/45/38/562544538.db2.gz RWZNXTVCBNHROC-LBPRGKRZSA-N -1 3 371.459 2.062 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c([N+](=O)[O-])n1 ZINC000535232492 562553605 /nfs/dbraw/zinc/55/36/05/562553605.db2.gz FSGOQZAIONFADW-UHFFFAOYSA-N -1 3 350.278 2.029 20 5 FEBDHM CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821357133 599099666 /nfs/dbraw/zinc/09/96/66/599099666.db2.gz ADMBEXBIWDFGTD-QWHCGFSZSA-N -1 3 359.390 2.320 20 5 FEBDHM CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821357133 599099669 /nfs/dbraw/zinc/09/96/69/599099669.db2.gz ADMBEXBIWDFGTD-QWHCGFSZSA-N -1 3 359.390 2.320 20 5 FEBDHM Cc1ccccc1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737424716 598245072 /nfs/dbraw/zinc/24/50/72/598245072.db2.gz VSQBSYNPEKZUDU-LBPRGKRZSA-N -1 3 351.370 2.472 20 5 FEBDHM Cc1ccccc1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737424716 598245073 /nfs/dbraw/zinc/24/50/73/598245073.db2.gz VSQBSYNPEKZUDU-LBPRGKRZSA-N -1 3 351.370 2.472 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737283694 598289409 /nfs/dbraw/zinc/28/94/09/598289409.db2.gz VQVHJTVHIOEPRB-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc([N+](=O)[O-])c1 ZINC000738317274 598380558 /nfs/dbraw/zinc/38/05/58/598380558.db2.gz AUQDFIUFFDJSID-ZROIWOOFSA-N -1 3 362.305 2.119 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc([N+](=O)[O-])c1 ZINC000738317274 598380560 /nfs/dbraw/zinc/38/05/60/598380560.db2.gz AUQDFIUFFDJSID-ZROIWOOFSA-N -1 3 362.305 2.119 20 5 FEBDHM C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155770 598487998 /nfs/dbraw/zinc/48/79/98/598487998.db2.gz QMJMFZMGGSXTGY-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155770 598487999 /nfs/dbraw/zinc/48/79/99/598487999.db2.gz QMJMFZMGGSXTGY-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM COc1ccc(CC(=O)Nc2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737085844 598495128 /nfs/dbraw/zinc/49/51/28/598495128.db2.gz BZWCVAZYZDVADW-UHFFFAOYSA-N -1 3 360.355 2.026 20 5 FEBDHM COc1ccc(CC(=O)Nc2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737085844 598495130 /nfs/dbraw/zinc/49/51/30/598495130.db2.gz BZWCVAZYZDVADW-UHFFFAOYSA-N -1 3 360.355 2.026 20 5 FEBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1-c1nnn[n-]1 ZINC000736674352 598516838 /nfs/dbraw/zinc/51/68/38/598516838.db2.gz CAVVDKQVMYTCHM-UHFFFAOYSA-N -1 3 361.387 2.298 20 5 FEBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1-c1nn[n-]n1 ZINC000736674352 598516840 /nfs/dbraw/zinc/51/68/40/598516840.db2.gz CAVVDKQVMYTCHM-UHFFFAOYSA-N -1 3 361.387 2.298 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000738366126 598594730 /nfs/dbraw/zinc/59/47/30/598594730.db2.gz DGTOIJGQXACNQX-UHFFFAOYSA-N -1 3 371.313 2.174 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000738366126 598594731 /nfs/dbraw/zinc/59/47/31/598594731.db2.gz DGTOIJGQXACNQX-UHFFFAOYSA-N -1 3 371.313 2.174 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000736140355 598679313 /nfs/dbraw/zinc/67/93/13/598679313.db2.gz ULUGTSWPGLOSHU-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000736140355 598679315 /nfs/dbraw/zinc/67/93/15/598679315.db2.gz ULUGTSWPGLOSHU-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM Cn1c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000737594252 599350568 /nfs/dbraw/zinc/35/05/68/599350568.db2.gz XLWIFHCCKACKOM-UHFFFAOYSA-N -1 3 368.332 2.413 20 5 FEBDHM Cn1c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC000737594252 599350569 /nfs/dbraw/zinc/35/05/69/599350569.db2.gz XLWIFHCCKACKOM-UHFFFAOYSA-N -1 3 368.332 2.413 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644670 599510136 /nfs/dbraw/zinc/51/01/36/599510136.db2.gz KBPGMZVSEGEYFH-UHFFFAOYSA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644670 599510138 /nfs/dbraw/zinc/51/01/38/599510138.db2.gz KBPGMZVSEGEYFH-UHFFFAOYSA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCOCC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644750 599545566 /nfs/dbraw/zinc/54/55/66/599545566.db2.gz LQFPSLHKFFMNIQ-UHFFFAOYSA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCOCC3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644750 599545568 /nfs/dbraw/zinc/54/55/68/599545568.db2.gz LQFPSLHKFFMNIQ-UHFFFAOYSA-N -1 3 355.358 2.162 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1-c1nnn[n-]1 ZINC000820170220 607397500 /nfs/dbraw/zinc/39/75/00/607397500.db2.gz UVJRCRZTCFKIFB-UHFFFAOYSA-N -1 3 371.357 2.153 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1-c1nn[n-]n1 ZINC000820170220 607397501 /nfs/dbraw/zinc/39/75/01/607397501.db2.gz UVJRCRZTCFKIFB-UHFFFAOYSA-N -1 3 371.357 2.153 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000826254093 607405384 /nfs/dbraw/zinc/40/53/84/607405384.db2.gz UBYVUAQRWBFTQW-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000826254093 607405385 /nfs/dbraw/zinc/40/53/85/607405385.db2.gz UBYVUAQRWBFTQW-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM COc1ccc(OCCN2Cc3ccccc3C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000565601093 600981157 /nfs/dbraw/zinc/98/11/57/600981157.db2.gz SVDGNEYMEKNBJP-KRWDZBQOSA-N -1 3 372.377 2.494 20 5 FEBDHM C[C@H]1CCCN(CCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828265938 601248102 /nfs/dbraw/zinc/24/81/02/601248102.db2.gz NETVIUIYVYIKPP-JTQLQIEISA-N -1 3 352.347 2.345 20 5 FEBDHM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739100584 602432221 /nfs/dbraw/zinc/43/22/21/602432221.db2.gz OJRIYISYDQGBTJ-PXAZEXFGSA-N -1 3 364.402 2.339 20 5 FEBDHM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809810974 674511315 /nfs/dbraw/zinc/51/13/15/674511315.db2.gz UYHPUGASIKPUDJ-MRVPVSSYSA-N -1 3 368.242 2.274 20 5 FEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823032358 606172077 /nfs/dbraw/zinc/17/20/77/606172077.db2.gz QXZKEJQTGJHIHD-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823032358 606172078 /nfs/dbraw/zinc/17/20/78/606172078.db2.gz QXZKEJQTGJHIHD-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822471424 606348638 /nfs/dbraw/zinc/34/86/38/606348638.db2.gz BQOLERAWOBLZFY-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822471424 606348639 /nfs/dbraw/zinc/34/86/39/606348639.db2.gz BQOLERAWOBLZFY-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ccc([C@H]2COCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822232750 606475816 /nfs/dbraw/zinc/47/58/16/606475816.db2.gz ADZAKQMEZCNSLE-CQSZACIVSA-N -1 3 356.342 2.254 20 5 FEBDHM Cc1ccc([C@H]2COCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000822232750 606475818 /nfs/dbraw/zinc/47/58/18/606475818.db2.gz ADZAKQMEZCNSLE-CQSZACIVSA-N -1 3 356.342 2.254 20 5 FEBDHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821610881 606477509 /nfs/dbraw/zinc/47/75/09/606477509.db2.gz JARVBEMLVCKKHR-AREMUKBSSA-N -1 3 372.410 2.149 20 5 FEBDHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821610881 606477511 /nfs/dbraw/zinc/47/75/11/606477511.db2.gz JARVBEMLVCKKHR-AREMUKBSSA-N -1 3 372.410 2.149 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820333601 606514814 /nfs/dbraw/zinc/51/48/14/606514814.db2.gz DSLYAKQHEPLQAW-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820333601 606514816 /nfs/dbraw/zinc/51/48/16/606514816.db2.gz DSLYAKQHEPLQAW-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820333600 606515045 /nfs/dbraw/zinc/51/50/45/606515045.db2.gz DSLYAKQHEPLQAW-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820333600 606515046 /nfs/dbraw/zinc/51/50/46/606515046.db2.gz DSLYAKQHEPLQAW-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM O=[N+]([O-])c1cc(NC2CCN(c3ccccn3)CC2)ccc1-c1nnn[n-]1 ZINC000823634738 606645304 /nfs/dbraw/zinc/64/53/04/606645304.db2.gz LAKCDZAQXLZALV-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cc(NC2CCN(c3ccccn3)CC2)ccc1-c1nn[n-]n1 ZINC000823634738 606645305 /nfs/dbraw/zinc/64/53/05/606645305.db2.gz LAKCDZAQXLZALV-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823630489 606951379 /nfs/dbraw/zinc/95/13/79/606951379.db2.gz YENBRVOHQFONOX-DOMZBBRYSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823630489 606951382 /nfs/dbraw/zinc/95/13/82/606951382.db2.gz YENBRVOHQFONOX-DOMZBBRYSA-N -1 3 370.369 2.460 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822472425 606959423 /nfs/dbraw/zinc/95/94/23/606959423.db2.gz SJDALVWMENYKFQ-UHFFFAOYSA-N -1 3 373.760 2.408 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822472425 606959425 /nfs/dbraw/zinc/95/94/25/606959425.db2.gz SJDALVWMENYKFQ-UHFFFAOYSA-N -1 3 373.760 2.408 20 5 FEBDHM O=C1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1C1CCCCC1 ZINC000823521339 607043433 /nfs/dbraw/zinc/04/34/33/607043433.db2.gz VGWJCUYIYWEAID-GFCCVEGCSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1C1CCCCC1 ZINC000823521339 607043434 /nfs/dbraw/zinc/04/34/34/607043434.db2.gz VGWJCUYIYWEAID-GFCCVEGCSA-N -1 3 371.401 2.120 20 5 FEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820774284 607116083 /nfs/dbraw/zinc/11/60/83/607116083.db2.gz AFCGAVYXTUGSCQ-ZANVPECISA-N -1 3 373.398 2.198 20 5 FEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820774284 607116085 /nfs/dbraw/zinc/11/60/85/607116085.db2.gz AFCGAVYXTUGSCQ-ZANVPECISA-N -1 3 373.398 2.198 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccc(F)cc1F ZINC000826499385 607876858 /nfs/dbraw/zinc/87/68/58/607876858.db2.gz GZJMZYUENLPIMJ-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1ccc(F)cc1F ZINC000826499385 607876859 /nfs/dbraw/zinc/87/68/59/607876859.db2.gz GZJMZYUENLPIMJ-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826304334 608008708 /nfs/dbraw/zinc/00/87/08/608008708.db2.gz HLFCGRAGRCHGSF-NSHDSACASA-N -1 3 369.337 2.456 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826304333 608008937 /nfs/dbraw/zinc/00/89/37/608008937.db2.gz HLFCGRAGRCHGSF-LLVKDONJSA-N -1 3 369.337 2.456 20 5 FEBDHM CN(CC1(O)CCCC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825901134 608123630 /nfs/dbraw/zinc/12/36/30/608123630.db2.gz BDZQOFVUXUYLBW-UHFFFAOYSA-N -1 3 369.385 2.064 20 5 FEBDHM CN(CC1(O)CCCC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825901134 608123631 /nfs/dbraw/zinc/12/36/31/608123631.db2.gz BDZQOFVUXUYLBW-UHFFFAOYSA-N -1 3 369.385 2.064 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CC(F)(F)C1 ZINC000826450378 608160419 /nfs/dbraw/zinc/16/04/19/608160419.db2.gz JNZOFMVBHKBXSN-UHFFFAOYSA-N -1 3 358.692 2.412 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CC(F)(F)C1 ZINC000826450378 608160421 /nfs/dbraw/zinc/16/04/21/608160421.db2.gz JNZOFMVBHKBXSN-UHFFFAOYSA-N -1 3 358.692 2.412 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826170149 608374669 /nfs/dbraw/zinc/37/46/69/608374669.db2.gz PUGKMGJDXCXNFJ-UHFFFAOYSA-N -1 3 366.381 2.342 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826170149 608374671 /nfs/dbraw/zinc/37/46/71/608374671.db2.gz PUGKMGJDXCXNFJ-UHFFFAOYSA-N -1 3 366.381 2.342 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826500600 608583226 /nfs/dbraw/zinc/58/32/26/608583226.db2.gz DRPVPSPBJJDZTE-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000826179619 608872306 /nfs/dbraw/zinc/87/23/06/608872306.db2.gz WOJKBPRNUKIKBA-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826179619 608872308 /nfs/dbraw/zinc/87/23/08/608872308.db2.gz WOJKBPRNUKIKBA-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COCCC[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826154981 609331159 /nfs/dbraw/zinc/33/11/59/609331159.db2.gz BQIKEYQLMSEDRE-QMMMGPOBSA-N -1 3 368.781 2.430 20 5 FEBDHM COCCC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826154981 609331161 /nfs/dbraw/zinc/33/11/61/609331161.db2.gz BQIKEYQLMSEDRE-QMMMGPOBSA-N -1 3 368.781 2.430 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1C ZINC000811831864 674632027 /nfs/dbraw/zinc/63/20/27/674632027.db2.gz IPWAGGFYIOJBRN-UHFFFAOYSA-N -1 3 373.774 2.174 20 5 FEBDHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986287 674892490 /nfs/dbraw/zinc/89/24/90/674892490.db2.gz BIQAYDWUZWTHDZ-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000584467382 672190833 /nfs/dbraw/zinc/19/08/33/672190833.db2.gz JWGKCVFGRIEAPN-WFASDCNBSA-N -1 3 372.443 2.035 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cocn2)c(C(F)(F)F)c1 ZINC000610957192 676007363 /nfs/dbraw/zinc/00/73/63/676007363.db2.gz BDQLGOMOPPGHFK-UHFFFAOYSA-N -1 3 351.262 2.080 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccn(C)c2=O)cc1[N+](=O)[O-] ZINC000176676037 672375854 /nfs/dbraw/zinc/37/58/54/672375854.db2.gz ZVJSJLOXACFRPE-UHFFFAOYSA-N -1 3 357.775 2.056 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC[C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000591772079 672710414 /nfs/dbraw/zinc/71/04/14/672710414.db2.gz MLCQRNRNMJNGJV-GFCCVEGCSA-N -1 3 365.411 2.497 20 5 FEBDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCC2)n1 ZINC000593551730 672940373 /nfs/dbraw/zinc/94/03/73/672940373.db2.gz KSJLWKANZCVWGD-UHFFFAOYSA-N -1 3 354.413 2.112 20 5 FEBDHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593553027 672940834 /nfs/dbraw/zinc/94/08/34/672940834.db2.gz OYOIFLWRLHWXFS-LBPRGKRZSA-N -1 3 365.411 2.471 20 5 FEBDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593570787 672946684 /nfs/dbraw/zinc/94/66/84/672946684.db2.gz LCTGXAKCZZCVLP-GFCCVEGCSA-N -1 3 365.411 2.156 20 5 FEBDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593586333 672951268 /nfs/dbraw/zinc/95/12/68/672951268.db2.gz SAORBQLGQKMHIL-UHFFFAOYSA-N -1 3 357.432 2.252 20 5 FEBDHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000594863307 673169661 /nfs/dbraw/zinc/16/96/61/673169661.db2.gz HGXAOBNDYPFJFY-OLZOCXBDSA-N -1 3 369.443 2.394 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc3N2)nc1 ZINC000595114288 673195471 /nfs/dbraw/zinc/19/54/71/673195471.db2.gz VFYFRUZZTOHFNL-ZDUSSCGKSA-N -1 3 362.411 2.085 20 5 FEBDHM C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000596106821 673359434 /nfs/dbraw/zinc/35/94/34/673359434.db2.gz FDNGGXGFUKMKDW-JTQLQIEISA-N -1 3 366.399 2.119 20 5 FEBDHM O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])cc1 ZINC000732575834 673372543 /nfs/dbraw/zinc/37/25/43/673372543.db2.gz OCECJJZBVFJFOB-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM CCCCn1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000538016928 673418350 /nfs/dbraw/zinc/41/83/50/673418350.db2.gz ZDTGRSWXXYNMNJ-UHFFFAOYSA-N -1 3 352.416 2.378 20 5 FEBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597491620 673482196 /nfs/dbraw/zinc/48/21/96/673482196.db2.gz PCMCWBGQGFFYQY-VHSXEESVSA-N -1 3 364.276 2.223 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000738352063 673618404 /nfs/dbraw/zinc/61/84/04/673618404.db2.gz BIKGCRFCJRDRJU-UHFFFAOYSA-N -1 3 356.791 2.034 20 5 FEBDHM Cn1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2cc(F)ccc21 ZINC000741253175 673677577 /nfs/dbraw/zinc/67/75/77/673677577.db2.gz MCCAMZUGDUPPKO-UHFFFAOYSA-N -1 3 370.387 2.161 20 5 FEBDHM CCc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000747011164 673901627 /nfs/dbraw/zinc/90/16/27/673901627.db2.gz ONHVDTIJJNWNST-UHFFFAOYSA-N -1 3 362.363 2.332 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000761103240 680711117 /nfs/dbraw/zinc/71/11/17/680711117.db2.gz TYMYHNPULZETFG-VIFPVBQESA-N -1 3 368.367 2.322 20 5 FEBDHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000764597953 680816398 /nfs/dbraw/zinc/81/63/98/680816398.db2.gz PHTDVKPRWMEJAY-GXFFZTMASA-N -1 3 358.416 2.163 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000835483026 680337560 /nfs/dbraw/zinc/33/75/60/680337560.db2.gz CBEUORSCKZOICQ-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cs1 ZINC000768861762 680962034 /nfs/dbraw/zinc/96/20/34/680962034.db2.gz CFBKLIHCRJMDOZ-UHFFFAOYSA-N -1 3 351.369 2.038 20 5 FEBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000845926448 681162927 /nfs/dbraw/zinc/16/29/27/681162927.db2.gz ZTQZRTHQHRATBB-HOCLYGCPSA-N -1 3 365.411 2.170 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000846285271 681220148 /nfs/dbraw/zinc/22/01/48/681220148.db2.gz CTDFIUORGHDNLA-QGZVFWFLSA-N -1 3 352.387 2.307 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@](COC)(C(=O)[O-])C1 ZINC000846285270 681220173 /nfs/dbraw/zinc/22/01/73/681220173.db2.gz CTDFIUORGHDNLA-KRWDZBQOSA-N -1 3 352.387 2.307 20 5 FEBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854483523 682556915 /nfs/dbraw/zinc/55/69/15/682556915.db2.gz HTNYPLCJMHKAPP-UHFFFAOYSA-N -1 3 359.169 2.288 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000920314045 683333129 /nfs/dbraw/zinc/33/31/29/683333129.db2.gz UIAORYLFKJYHRB-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921860558 683597564 /nfs/dbraw/zinc/59/75/64/683597564.db2.gz MJCYDNDHNINVAG-JOYOIKCWSA-N -1 3 368.333 2.149 20 5 FEBDHM Cc1cc(=O)[n-]c(N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000886656603 688287080 /nfs/dbraw/zinc/28/70/80/688287080.db2.gz LNCKFTROHHCNSQ-UHFFFAOYSA-N -1 3 363.805 2.374 20 5 FEBDHM COc1c([O-])ccc(CN2CCO[C@@](C)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895824773 689776129 /nfs/dbraw/zinc/77/61/29/689776129.db2.gz AJZVBXYXRZXYPQ-CYBMUJFWSA-N -1 3 350.293 2.462 20 5 FEBDHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000549695044 674057748 /nfs/dbraw/zinc/05/77/48/674057748.db2.gz HENFHWLQSKGCBX-MRVPVSSYSA-N -1 3 350.356 2.224 20 5 FEBDHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000549695044 674057751 /nfs/dbraw/zinc/05/77/51/674057751.db2.gz HENFHWLQSKGCBX-MRVPVSSYSA-N -1 3 350.356 2.224 20 5 FEBDHM COC(=O)c1cnc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 ZINC000032494035 539941701 /nfs/dbraw/zinc/94/17/01/539941701.db2.gz VIRCFSHHYKLZBV-UHFFFAOYSA-N -1 3 367.339 2.107 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCN(C)c1ccccc1 ZINC000042986586 540084945 /nfs/dbraw/zinc/08/49/45/540084945.db2.gz RCGQXOFRQHQSSD-UHFFFAOYSA-N -1 3 365.411 2.018 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1 ZINC000046034193 540238353 /nfs/dbraw/zinc/23/83/53/540238353.db2.gz RLTBKYXERWNEGS-GFCCVEGCSA-N -1 3 364.379 2.022 20 5 FEBDHM COc1ccccc1OCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046034282 540238687 /nfs/dbraw/zinc/23/86/87/540238687.db2.gz CYBXVQNYNRCCFP-UHFFFAOYSA-N -1 3 366.395 2.269 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000047032690 540286242 /nfs/dbraw/zinc/28/62/42/540286242.db2.gz ALPGRFVNZZJDRP-OAHLLOKOSA-N -1 3 367.402 2.315 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056116952 540704524 /nfs/dbraw/zinc/70/45/24/540704524.db2.gz HTIXKDUSBBRCTP-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c([N+](=O)[O-])c1 ZINC000057925891 540824659 /nfs/dbraw/zinc/82/46/59/540824659.db2.gz LSEYSBGNQJQGSS-UHFFFAOYSA-N -1 3 358.416 2.231 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000063466862 541170016 /nfs/dbraw/zinc/17/00/16/541170016.db2.gz NTBOXWLTAUKOLT-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CNC(=O)Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000074458218 542086320 /nfs/dbraw/zinc/08/63/20/542086320.db2.gz VGPBENVZRAEALS-UHFFFAOYSA-N -1 3 353.338 2.012 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)N1CCCC[C@@H]1C ZINC000076191142 542241005 /nfs/dbraw/zinc/24/10/05/542241005.db2.gz OQDQQRGGBCZHIS-UONOGXRCSA-N -1 3 355.460 2.444 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000077608314 542402329 /nfs/dbraw/zinc/40/23/29/542402329.db2.gz VNDIJYPDYFAVGI-AWEZNQCLSA-N -1 3 354.359 2.400 20 5 FEBDHM COc1ccc([O-])c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000078239698 542449056 /nfs/dbraw/zinc/44/90/56/542449056.db2.gz AOWGEWMPHDSHEF-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000080631647 542598899 /nfs/dbraw/zinc/59/88/99/542598899.db2.gz IJAKVXJDNKQXKS-UHFFFAOYSA-N -1 3 364.427 2.305 20 5 FEBDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000093867963 542943176 /nfs/dbraw/zinc/94/31/76/542943176.db2.gz BMEUFRMUNQHQLT-UHFFFAOYSA-N -1 3 365.411 2.336 20 5 FEBDHM COCCNC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000102728825 543078961 /nfs/dbraw/zinc/07/89/61/543078961.db2.gz BYNBCHAUEXWYEU-UHFFFAOYSA-N -1 3 367.745 2.470 20 5 FEBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000113301441 543483208 /nfs/dbraw/zinc/48/32/08/543483208.db2.gz IGJUYIGFZPSFNP-CYBMUJFWSA-N -1 3 371.459 2.146 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000126260629 543926460 /nfs/dbraw/zinc/92/64/60/543926460.db2.gz PWSKINDEYJZDDS-MWLCHTKSSA-N -1 3 359.835 2.152 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccn1 ZINC000189820490 328169890 /nfs/dbraw/zinc/16/98/90/328169890.db2.gz URQUHGYZWWYIPG-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COc1ncccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189831093 328170243 /nfs/dbraw/zinc/17/02/43/328170243.db2.gz TXLYDCNTKRFAQN-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000192897103 328345604 /nfs/dbraw/zinc/34/56/04/328345604.db2.gz VRUIJGNWGYWBLK-UHFFFAOYSA-N -1 3 372.790 2.296 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000195143004 328458173 /nfs/dbraw/zinc/45/81/73/328458173.db2.gz QVPKEFVEGFYPMN-UHFFFAOYSA-N -1 3 353.331 2.093 20 5 FEBDHM CCCc1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000018889640 324390744 /nfs/dbraw/zinc/39/07/44/324390744.db2.gz CZEHDMMLGAVWSI-UHFFFAOYSA-N -1 3 350.356 2.438 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000080930777 325148664 /nfs/dbraw/zinc/14/86/64/325148664.db2.gz GEBRCKSMPMZAPN-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1C ZINC000129219457 326536784 /nfs/dbraw/zinc/53/67/84/326536784.db2.gz YPVWOPKHBVKLCQ-UMVBOHGHSA-N -1 3 354.428 2.448 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000134467014 326626234 /nfs/dbraw/zinc/62/62/34/326626234.db2.gz MRBMWXMGDOCDHW-DAYGRLMNSA-N -1 3 374.418 2.468 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000173023138 327231010 /nfs/dbraw/zinc/23/10/10/327231010.db2.gz KMOHVTYGQLGCJN-JTQLQIEISA-N -1 3 359.835 2.011 20 5 FEBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000173985244 327299682 /nfs/dbraw/zinc/29/96/82/327299682.db2.gz ZKRGAGNWCOKTKD-UHFFFAOYSA-N -1 3 363.395 2.456 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1C(C)C ZINC000267690872 329350318 /nfs/dbraw/zinc/35/03/18/329350318.db2.gz FVFITDBAJMWDJE-LRDDRELGSA-N -1 3 372.443 2.333 20 5 FEBDHM CC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000267912155 329367774 /nfs/dbraw/zinc/36/77/74/329367774.db2.gz GJWJVFYESLYIDB-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM CCOc1cc(NC([O-])=NOC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC ZINC000276341120 330142890 /nfs/dbraw/zinc/14/28/90/330142890.db2.gz HBCHLJSDZKHMOQ-LLVKDONJSA-N -1 3 369.374 2.482 20 5 FEBDHM CCOc1cc(NC(=O)[N-]OC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC ZINC000276341120 330142891 /nfs/dbraw/zinc/14/28/91/330142891.db2.gz HBCHLJSDZKHMOQ-LLVKDONJSA-N -1 3 369.374 2.482 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1C ZINC000155879251 545579151 /nfs/dbraw/zinc/57/91/51/545579151.db2.gz HIWNKNHDUPJYAT-MAZHCROVSA-N -1 3 366.439 2.448 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1c(C)noc1C ZINC000158788812 545894762 /nfs/dbraw/zinc/89/47/62/545894762.db2.gz RJUCABHLGAIXGP-VIFPVBQESA-N -1 3 369.399 2.290 20 5 FEBDHM COC(=O)CCCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000478174824 561161295 /nfs/dbraw/zinc/16/12/95/561161295.db2.gz WPIPPQJYFOKEBL-UHFFFAOYSA-N -1 3 358.416 2.223 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000479130793 561182198 /nfs/dbraw/zinc/18/21/98/561182198.db2.gz KTRXOQYNHQEPFC-NSHDSACASA-N -1 3 356.322 2.149 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000479132831 561182308 /nfs/dbraw/zinc/18/23/08/561182308.db2.gz OIAOCCYMIUQJQX-LLVKDONJSA-N -1 3 356.322 2.149 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1nnc(-c2ccccc2)o1 ZINC000175697329 546334952 /nfs/dbraw/zinc/33/49/52/546334952.db2.gz VBXFBAUQBAFVSW-UHFFFAOYSA-N -1 3 374.378 2.166 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000480746583 561215860 /nfs/dbraw/zinc/21/58/60/561215860.db2.gz BYZGVEMQZRHRNB-VIFPVBQESA-N -1 3 364.445 2.363 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1C ZINC000480962271 561221379 /nfs/dbraw/zinc/22/13/79/561221379.db2.gz WYLRCQUQILBAFY-UHFFFAOYSA-N -1 3 364.379 2.419 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177750531 546679657 /nfs/dbraw/zinc/67/96/57/546679657.db2.gz XPLZJQWYTBOAKM-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2)cc1C ZINC000481442899 561232910 /nfs/dbraw/zinc/23/29/10/561232910.db2.gz WXQNARZKJYSUMG-NSHDSACASA-N -1 3 352.416 2.023 20 5 FEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481927166 561245762 /nfs/dbraw/zinc/24/57/62/561245762.db2.gz XIVIPIMRASBCMU-UHFFFAOYSA-N -1 3 355.232 2.408 20 5 FEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481927166 561245763 /nfs/dbraw/zinc/24/57/63/561245763.db2.gz XIVIPIMRASBCMU-UHFFFAOYSA-N -1 3 355.232 2.408 20 5 FEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481927166 561245764 /nfs/dbraw/zinc/24/57/64/561245764.db2.gz XIVIPIMRASBCMU-UHFFFAOYSA-N -1 3 355.232 2.408 20 5 FEBDHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000482834448 561261046 /nfs/dbraw/zinc/26/10/46/561261046.db2.gz YKSZVDLDJIAYLP-SSDOTTSWSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000482834448 561261047 /nfs/dbraw/zinc/26/10/47/561261047.db2.gz YKSZVDLDJIAYLP-SSDOTTSWSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000482834448 561261048 /nfs/dbraw/zinc/26/10/48/561261048.db2.gz YKSZVDLDJIAYLP-SSDOTTSWSA-N -1 3 358.280 2.292 20 5 FEBDHM COC(=O)c1cnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[n-]1 ZINC000484578615 561300506 /nfs/dbraw/zinc/30/05/06/561300506.db2.gz WDKAXFCYVVLRMP-UHFFFAOYSA-N -1 3 361.339 2.447 20 5 FEBDHM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000187023266 548243502 /nfs/dbraw/zinc/24/35/02/548243502.db2.gz DZAYNEPTUBNBMM-UHFFFAOYSA-N -1 3 370.409 2.262 20 5 FEBDHM Cc1n[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000488674562 561394321 /nfs/dbraw/zinc/39/43/21/561394321.db2.gz JGAIOFKDTHTCMO-UHFFFAOYSA-N -1 3 355.148 2.024 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000490178539 561428303 /nfs/dbraw/zinc/42/83/03/561428303.db2.gz NZJLTKFSJRFUSW-GFCCVEGCSA-N -1 3 373.818 2.422 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262314840 549810023 /nfs/dbraw/zinc/81/00/23/549810023.db2.gz POUDRBUJTGWUBT-HNNXBMFYSA-N -1 3 361.423 2.069 20 5 FEBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268777323 550115146 /nfs/dbraw/zinc/11/51/46/550115146.db2.gz BOTULKVOEIEUTL-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494400116 561468841 /nfs/dbraw/zinc/46/88/41/561468841.db2.gz WLOUBQFBFLEXSP-UHFFFAOYSA-N -1 3 369.365 2.147 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272471944 550451081 /nfs/dbraw/zinc/45/10/81/550451081.db2.gz XACMNFHHIUGJPW-AWEZNQCLSA-N -1 3 354.384 2.385 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC000276805449 550598190 /nfs/dbraw/zinc/59/81/90/550598190.db2.gz LILXDZRSZZWQHT-LLVKDONJSA-N -1 3 367.431 2.493 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCCC[C@H]2C)cc1C ZINC000497539829 561503485 /nfs/dbraw/zinc/50/34/85/561503485.db2.gz FKXJLKYRZZOJKA-CQSZACIVSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000282790127 551270702 /nfs/dbraw/zinc/27/07/02/551270702.db2.gz QEOGHNPRVGFMRT-QGZVFWFLSA-N -1 3 364.423 2.365 20 5 FEBDHM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000285453973 551759057 /nfs/dbraw/zinc/75/90/57/551759057.db2.gz YFDPKMNJWXPGPK-KRWDZBQOSA-N -1 3 364.423 2.310 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2noc3c2CCCC3)cc1 ZINC000288342989 552136840 /nfs/dbraw/zinc/13/68/40/552136840.db2.gz IFUWJRKXPISKIJ-UHFFFAOYSA-N -1 3 351.384 2.081 20 5 FEBDHM O=c1nc([C@@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH][n-]1 ZINC000289460149 552325355 /nfs/dbraw/zinc/32/53/55/552325355.db2.gz QAPWTFJALKQKSS-GFCCVEGCSA-N -1 3 370.369 2.041 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2nc(C(C)(C)C(=O)OC)cs2)c1[N+](=O)[O-] ZINC000294172000 552887706 /nfs/dbraw/zinc/88/77/06/552887706.db2.gz VVUJRMWZONPUSA-UHFFFAOYSA-N -1 3 367.387 2.040 20 5 FEBDHM Nc1c(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc(F)cc1[N+](=O)[O-] ZINC000294181541 552888411 /nfs/dbraw/zinc/88/84/11/552888411.db2.gz NGSXLQTZVZIKTA-UHFFFAOYSA-N -1 3 367.362 2.314 20 5 FEBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000295583784 553028651 /nfs/dbraw/zinc/02/86/51/553028651.db2.gz VYQHWRKTEOARGG-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM CCOC(=O)Cc1cnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])s1 ZINC000296183102 553118100 /nfs/dbraw/zinc/11/81/00/553118100.db2.gz YFSKZIBSGHCRFZ-UHFFFAOYSA-N -1 3 367.383 2.483 20 5 FEBDHM Cc1csc2[n-]c(CC(=O)NCc3ccc([N+](=O)[O-])cc3)nc(=O)c12 ZINC000504466620 561658663 /nfs/dbraw/zinc/65/86/63/561658663.db2.gz CHCRYSYIEBGLKS-UHFFFAOYSA-N -1 3 358.379 2.472 20 5 FEBDHM COC(=O)c1cnc([N-]c2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000302668650 553724497 /nfs/dbraw/zinc/72/44/97/553724497.db2.gz CWANROAFSKPHJJ-UHFFFAOYSA-N -1 3 374.401 2.202 20 5 FEBDHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000325078241 553774748 /nfs/dbraw/zinc/77/47/48/553774748.db2.gz FGYSAWHXTZXTFR-LBPRGKRZSA-N -1 3 358.416 2.078 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)C1 ZINC000326122669 553779160 /nfs/dbraw/zinc/77/91/60/553779160.db2.gz GFFVMTKHKMNUEE-WDEREUQCSA-N -1 3 356.400 2.238 20 5 FEBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000507594339 561734705 /nfs/dbraw/zinc/73/47/05/561734705.db2.gz ABRPZGYPHLPKAD-JSGCOSHPSA-N -1 3 356.382 2.261 20 5 FEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330492928 554129098 /nfs/dbraw/zinc/12/90/98/554129098.db2.gz RTVNIKKSORNHTF-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000330772218 554169269 /nfs/dbraw/zinc/16/92/69/554169269.db2.gz PIJKAFKMXHDYDV-UHFFFAOYSA-N -1 3 368.333 2.293 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000330978823 554197005 /nfs/dbraw/zinc/19/70/05/554197005.db2.gz ICGGLLZMLCFIGP-ZDUSSCGKSA-N -1 3 358.416 2.087 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520021 554279096 /nfs/dbraw/zinc/27/90/96/554279096.db2.gz NUYCXRTVLFRSQM-TVQRCGJNSA-N -1 3 359.835 2.009 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000332462250 554450397 /nfs/dbraw/zinc/45/03/97/554450397.db2.gz PWBREXSMXOXAGD-UKRRQHHQSA-N -1 3 358.416 2.085 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)c(Cl)c1 ZINC000511224201 561861888 /nfs/dbraw/zinc/86/18/88/561861888.db2.gz UKZNNSRTDPBPDW-LLVKDONJSA-N -1 3 362.835 2.468 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCc3c[nH]nc3C2)c1 ZINC000360642327 554883261 /nfs/dbraw/zinc/88/32/61/554883261.db2.gz OHTLTLVOPCMSMP-JTQLQIEISA-N -1 3 370.818 2.116 20 5 FEBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000365704901 555645786 /nfs/dbraw/zinc/64/57/86/555645786.db2.gz AWTIWGPERBLTOS-UHFFFAOYSA-N -1 3 372.772 2.300 20 5 FEBDHM CCOC(=O)c1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc([N+](=O)[O-])c1 ZINC000514995816 561990835 /nfs/dbraw/zinc/99/08/35/561990835.db2.gz FLLXMVUKIJIZLF-UHFFFAOYSA-N -1 3 371.309 2.402 20 5 FEBDHM CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc([N+](=O)[O-])c1 ZINC000514995816 561990837 /nfs/dbraw/zinc/99/08/37/561990837.db2.gz FLLXMVUKIJIZLF-UHFFFAOYSA-N -1 3 371.309 2.402 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000374046683 557813499 /nfs/dbraw/zinc/81/34/99/557813499.db2.gz XICAERNGUFPPDB-UHFFFAOYSA-N -1 3 368.353 2.491 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000374046683 557813501 /nfs/dbraw/zinc/81/35/01/557813501.db2.gz XICAERNGUFPPDB-UHFFFAOYSA-N -1 3 368.353 2.491 20 5 FEBDHM Cc1cc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375094754 557976960 /nfs/dbraw/zinc/97/69/60/557976960.db2.gz REHVUMGCKGMXRH-UHFFFAOYSA-N -1 3 354.326 2.052 20 5 FEBDHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)oc1C ZINC000522412388 562198105 /nfs/dbraw/zinc/19/81/05/562198105.db2.gz FXQRLWVARIFDBK-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1=CCCCC1 ZINC000379582030 558601918 /nfs/dbraw/zinc/60/19/18/558601918.db2.gz NFOZHVXCBKFCMB-UHFFFAOYSA-N -1 3 354.384 2.160 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(C)C ZINC000386759203 558607523 /nfs/dbraw/zinc/60/75/23/558607523.db2.gz DXCMQTYHPJVXTO-LLVKDONJSA-N -1 3 370.427 2.486 20 5 FEBDHM C[C@@]1(C[C@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)NC(=O)[N-]C1=O ZINC000413275888 559094730 /nfs/dbraw/zinc/09/47/30/559094730.db2.gz BUWYCOQPZHKONW-ZMZPIMSZSA-N -1 3 369.381 2.100 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000416421456 559311867 /nfs/dbraw/zinc/31/18/67/559311867.db2.gz CJBCDZNVDLNDQN-LBPRGKRZSA-N -1 3 368.333 2.461 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)[C@@H]1CC1(C)C ZINC000416641804 559326963 /nfs/dbraw/zinc/32/69/63/559326963.db2.gz DZQOLJPNHHXILV-QWHCGFSZSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1ccc([C@H](C)NC(=O)CNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000427148762 559749032 /nfs/dbraw/zinc/74/90/32/559749032.db2.gz ZVBLOZFVIHGPBE-LBPRGKRZSA-N -1 3 357.366 2.216 20 5 FEBDHM Cn1[n-]c(=NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1OC(F)F ZINC000428131311 559770177 /nfs/dbraw/zinc/77/01/77/559770177.db2.gz WUNCENIEUDQDFB-UHFFFAOYSA-N -1 3 351.269 2.663 20 5 FEBDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C2CC2)no1 ZINC000432263360 559854983 /nfs/dbraw/zinc/85/49/83/559854983.db2.gz GTYARCOYRMGOIS-HNNXBMFYSA-N -1 3 366.399 2.198 20 5 FEBDHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)no1 ZINC000432265094 559855109 /nfs/dbraw/zinc/85/51/09/559855109.db2.gz PKXXQEIQJZRNOS-OAHLLOKOSA-N -1 3 366.399 2.198 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000434122548 559894684 /nfs/dbraw/zinc/89/46/84/559894684.db2.gz CHSCYUKIAWDTCL-UHFFFAOYSA-N -1 3 359.386 2.207 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436867161 559954906 /nfs/dbraw/zinc/95/49/06/559954906.db2.gz AJXGBHFTCGMXCR-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM Cn1nc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1C1CC1 ZINC000439146848 559989126 /nfs/dbraw/zinc/98/91/26/559989126.db2.gz KCSMQSXZYPKVBW-UHFFFAOYSA-N -1 3 352.354 2.848 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)no1 ZINC000443144589 560072483 /nfs/dbraw/zinc/07/24/83/560072483.db2.gz VSQRRGOQQCDVTJ-UHFFFAOYSA-N -1 3 368.415 2.371 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000443266753 560076914 /nfs/dbraw/zinc/07/69/14/560076914.db2.gz UPQDEPRPNGWLAN-GFCCVEGCSA-N -1 3 372.349 2.193 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000443267469 560077023 /nfs/dbraw/zinc/07/70/23/560077023.db2.gz ALVLBCSKEJDFPG-CYBMUJFWSA-N -1 3 354.359 2.054 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000451608159 560317128 /nfs/dbraw/zinc/31/71/28/560317128.db2.gz MNCIELPHVZUJOD-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000451807624 560329853 /nfs/dbraw/zinc/32/98/53/560329853.db2.gz YZSPOHBKPDFDPZ-GFCCVEGCSA-N -1 3 370.427 2.231 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451822552 560330906 /nfs/dbraw/zinc/33/09/06/560330906.db2.gz KMECFPSQDRIBQL-SWLSCSKDSA-N -1 3 372.443 2.333 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451850674 560332302 /nfs/dbraw/zinc/33/23/02/560332302.db2.gz ILVUBWMGTOUKIR-CJNGLKHVSA-N -1 3 374.459 2.171 20 5 FEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451947728 560339999 /nfs/dbraw/zinc/33/99/99/560339999.db2.gz QFQDWQLDGRZWTP-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C1(O)CCCC1 ZINC000452052118 560348185 /nfs/dbraw/zinc/34/81/85/560348185.db2.gz LZLXOZYTQRWVHG-UHFFFAOYSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000461612130 560776507 /nfs/dbraw/zinc/77/65/07/560776507.db2.gz GXNCJEHPNKZJIG-UHFFFAOYSA-N -1 3 356.338 2.052 20 5 FEBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000462327872 560806171 /nfs/dbraw/zinc/80/61/71/560806171.db2.gz PQCOKZRUYJOABB-KGLIPLIRSA-N -1 3 358.391 2.360 20 5 FEBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)cc1 ZINC000466553639 560889519 /nfs/dbraw/zinc/88/95/19/560889519.db2.gz XHUCXMWIDBKJRI-HNNXBMFYSA-N -1 3 366.370 2.330 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000467063678 560902583 /nfs/dbraw/zinc/90/25/83/560902583.db2.gz RVHQBZADCKVTNK-KGLIPLIRSA-N -1 3 360.457 2.448 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000467063679 560902614 /nfs/dbraw/zinc/90/26/14/560902614.db2.gz RVHQBZADCKVTNK-UONOGXRCSA-N -1 3 360.457 2.448 20 5 FEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC(C)C ZINC000467087041 560903349 /nfs/dbraw/zinc/90/33/49/560903349.db2.gz WBHFFZCFCRTUEC-SNVBAGLBSA-N -1 3 364.445 2.078 20 5 FEBDHM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CN1Cc1ccccc1 ZINC000467692585 560915025 /nfs/dbraw/zinc/91/50/25/560915025.db2.gz UFVKASSTOJLVEU-OCCSQVGLSA-N -1 3 356.382 2.088 20 5 FEBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000467788894 560917309 /nfs/dbraw/zinc/91/73/09/560917309.db2.gz RWBIFMXMWWCISK-ZDUSSCGKSA-N -1 3 360.432 2.333 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000468771999 560938391 /nfs/dbraw/zinc/93/83/91/560938391.db2.gz AZTWWXSSUGUAGD-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000469163131 560948619 /nfs/dbraw/zinc/94/86/19/560948619.db2.gz OUTHUAVNUWXXQV-GDNZZTSVSA-N -1 3 370.427 2.484 20 5 FEBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469363731 560953400 /nfs/dbraw/zinc/95/34/00/560953400.db2.gz PYNZGHJVBWYMMH-QWRGUYRKSA-N -1 3 358.416 2.484 20 5 FEBDHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000470757279 560988956 /nfs/dbraw/zinc/98/89/56/560988956.db2.gz RPJBHLQRBRVASD-VIFPVBQESA-N -1 3 364.807 2.114 20 5 FEBDHM CCc1ccc(C(=O)[N-]c2nnc(CCC(=O)OC)s2)cc1[N+](=O)[O-] ZINC000471900824 561014042 /nfs/dbraw/zinc/01/40/42/561014042.db2.gz HCYLZJSIVJEFIB-UHFFFAOYSA-N -1 3 364.383 2.367 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000473356114 561048182 /nfs/dbraw/zinc/04/81/82/561048182.db2.gz JBQAGZWZVBNAAY-UHFFFAOYSA-N -1 3 353.331 2.358 20 5 FEBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ncccc1[O-] ZINC000473642230 561054948 /nfs/dbraw/zinc/05/49/48/561054948.db2.gz WUUCRFJXSALQFD-SECBINFHSA-N -1 3 351.746 2.433 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(OC)CCCCC1 ZINC000476192717 561112758 /nfs/dbraw/zinc/11/27/58/561112758.db2.gz ITXYLQZDSRWBCG-UHFFFAOYSA-N -1 3 358.416 2.231 20 5 FEBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000477168064 561138332 /nfs/dbraw/zinc/13/83/32/561138332.db2.gz STIHLDZNIMFRAQ-RYUDHWBXSA-N -1 3 370.427 2.471 20 5 FEBDHM O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Sc1n[n-]c(CO)n1 ZINC000530531347 562414819 /nfs/dbraw/zinc/41/48/19/562414819.db2.gz JIYHQMLLWHNUNI-UHFFFAOYSA-N -1 3 371.247 2.406 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000540738004 562592260 /nfs/dbraw/zinc/59/22/60/562592260.db2.gz TXFCDSJPUNEPLL-TZMCWYRMSA-N -1 3 372.443 2.475 20 5 FEBDHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568074043 567838259 /nfs/dbraw/zinc/83/82/59/567838259.db2.gz UXTXUSULGQAKAW-IRXDYDNUSA-N -1 3 364.398 2.175 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000568769060 568196232 /nfs/dbraw/zinc/19/62/32/568196232.db2.gz AZYVCXKKHWPIIJ-ZDUSSCGKSA-N -1 3 371.459 2.002 20 5 FEBDHM Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568987222 568262861 /nfs/dbraw/zinc/26/28/61/568262861.db2.gz TXXNBJATUHBXDS-MRXNPFEDSA-N -1 3 364.446 2.285 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000604430131 568285393 /nfs/dbraw/zinc/28/53/93/568285393.db2.gz APSSMEDEHTUAAX-UHFFFAOYSA-N -1 3 360.395 2.231 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000570378162 568481841 /nfs/dbraw/zinc/48/18/41/568481841.db2.gz NXWLKQBQXSPZSA-CQSZACIVSA-N -1 3 356.444 2.431 20 5 FEBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000736843294 598914439 /nfs/dbraw/zinc/91/44/39/598914439.db2.gz KCWKGVFQKYJFQQ-CYBMUJFWSA-N -1 3 351.370 2.164 20 5 FEBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000736843294 598914441 /nfs/dbraw/zinc/91/44/41/598914441.db2.gz KCWKGVFQKYJFQQ-CYBMUJFWSA-N -1 3 351.370 2.164 20 5 FEBDHM C[S@@](=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737173891 599063560 /nfs/dbraw/zinc/06/35/60/599063560.db2.gz QPUCWZHEGRMYMM-RUZDIDTESA-N -1 3 358.383 2.397 20 5 FEBDHM C[S@@](=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737173891 599063563 /nfs/dbraw/zinc/06/35/63/599063563.db2.gz QPUCWZHEGRMYMM-RUZDIDTESA-N -1 3 358.383 2.397 20 5 FEBDHM Cc1occc1-c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822553457 599124333 /nfs/dbraw/zinc/12/43/33/599124333.db2.gz KUPLNNKHVTVMGT-UHFFFAOYSA-N -1 3 372.326 2.273 20 5 FEBDHM O=[N+]([O-])c1cccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000738367991 599160167 /nfs/dbraw/zinc/16/01/67/599160167.db2.gz ATODTHYSBQUQDX-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM O=[N+]([O-])c1cccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000738367991 599160169 /nfs/dbraw/zinc/16/01/69/599160169.db2.gz ATODTHYSBQUQDX-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM Cc1cccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC000822284744 599166210 /nfs/dbraw/zinc/16/62/10/599166210.db2.gz YJQSMZSMNYOEDI-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC000822284744 599166211 /nfs/dbraw/zinc/16/62/11/599166211.db2.gz YJQSMZSMNYOEDI-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988298 599203704 /nfs/dbraw/zinc/20/37/04/599203704.db2.gz KCMXOKFEFQZAGQ-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988298 599203707 /nfs/dbraw/zinc/20/37/07/599203707.db2.gz KCMXOKFEFQZAGQ-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823223923 599277883 /nfs/dbraw/zinc/27/78/83/599277883.db2.gz LELQERATUAREFZ-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823223923 599277885 /nfs/dbraw/zinc/27/78/85/599277885.db2.gz LELQERATUAREFZ-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1 ZINC000737226888 598279079 /nfs/dbraw/zinc/27/90/79/598279079.db2.gz FRUQJWRLSIPXMN-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1 ZINC000737226888 598279080 /nfs/dbraw/zinc/27/90/80/598279080.db2.gz FRUQJWRLSIPXMN-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM CC(C)c1n[nH]c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000820183739 607347211 /nfs/dbraw/zinc/34/72/11/607347211.db2.gz JYRNONBCZFMYTL-SECBINFHSA-N -1 3 370.373 2.112 20 5 FEBDHM CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000736644813 598362637 /nfs/dbraw/zinc/36/26/37/598362637.db2.gz QCILAYHPUFABFD-UHFFFAOYSA-N -1 3 359.321 2.320 20 5 FEBDHM CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000736644813 598362639 /nfs/dbraw/zinc/36/26/39/598362639.db2.gz QCILAYHPUFABFD-UHFFFAOYSA-N -1 3 359.321 2.320 20 5 FEBDHM C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736157147 598485729 /nfs/dbraw/zinc/48/57/29/598485729.db2.gz ZMEPZXQDLMXWSW-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736157147 598485730 /nfs/dbraw/zinc/48/57/30/598485730.db2.gz ZMEPZXQDLMXWSW-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087658 598626849 /nfs/dbraw/zinc/62/68/49/598626849.db2.gz JPDCXQWEQSCFAW-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087658 598626851 /nfs/dbraw/zinc/62/68/51/598626851.db2.gz JPDCXQWEQSCFAW-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000736140354 598679104 /nfs/dbraw/zinc/67/91/04/598679104.db2.gz ULUGTSWPGLOSHU-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000736140354 598679106 /nfs/dbraw/zinc/67/91/06/598679106.db2.gz ULUGTSWPGLOSHU-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737963255 599374995 /nfs/dbraw/zinc/37/49/95/599374995.db2.gz TVYDLFRUTNSCHQ-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737963255 599374997 /nfs/dbraw/zinc/37/49/97/599374997.db2.gz TVYDLFRUTNSCHQ-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645944 599483694 /nfs/dbraw/zinc/48/36/94/599483694.db2.gz XIQZWQPBTSLUPG-GXSJLCMTSA-N -1 3 355.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645944 599483695 /nfs/dbraw/zinc/48/36/95/599483695.db2.gz XIQZWQPBTSLUPG-GXSJLCMTSA-N -1 3 355.358 2.039 20 5 FEBDHM Cc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000822201073 599496012 /nfs/dbraw/zinc/49/60/12/599496012.db2.gz PQRLRPOLGFRHBO-UHFFFAOYSA-N -1 3 352.314 2.232 20 5 FEBDHM Cc1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000822201073 599496014 /nfs/dbraw/zinc/49/60/14/599496014.db2.gz PQRLRPOLGFRHBO-UHFFFAOYSA-N -1 3 352.314 2.232 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2coc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000823651111 599587071 /nfs/dbraw/zinc/58/70/71/599587071.db2.gz GHHGWLZWGVZCEZ-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000823651111 599587074 /nfs/dbraw/zinc/58/70/74/599587074.db2.gz GHHGWLZWGVZCEZ-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000826428320 607421769 /nfs/dbraw/zinc/42/17/69/607421769.db2.gz YKCYLFOOOLQVFO-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000826428320 607421771 /nfs/dbraw/zinc/42/17/71/607421771.db2.gz YKCYLFOOOLQVFO-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM CN(C)C(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000825845402 607449924 /nfs/dbraw/zinc/44/99/24/607449924.db2.gz HSMXDCOROGEPKB-UHFFFAOYSA-N -1 3 367.369 2.089 20 5 FEBDHM COc1ccc(COc2ccc([N+](=O)[O-])cc2C=O)cc1-c1nnn[n-]1 ZINC000826207283 607540431 /nfs/dbraw/zinc/54/04/31/607540431.db2.gz IBDPLUXLACHCDC-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(COc2ccc([N+](=O)[O-])cc2C=O)cc1-c1nn[n-]n1 ZINC000826207283 607540433 /nfs/dbraw/zinc/54/04/33/607540433.db2.gz IBDPLUXLACHCDC-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000738769772 603079583 /nfs/dbraw/zinc/07/95/83/603079583.db2.gz GEQXBBCTTVALGY-HNNXBMFYSA-N -1 3 372.809 2.459 20 5 FEBDHM O=C([O-])N1CCC[C@H]1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834106279 606028157 /nfs/dbraw/zinc/02/81/57/606028157.db2.gz IVVMNIHGTKJWNN-DLBZAZTESA-N -1 3 363.414 2.483 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446992 606104581 /nfs/dbraw/zinc/10/45/81/606104581.db2.gz GUJPIIYWZFKQBS-PAUBXPFVSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821446992 606104582 /nfs/dbraw/zinc/10/45/82/606104582.db2.gz GUJPIIYWZFKQBS-PAUBXPFVSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000810110157 674532437 /nfs/dbraw/zinc/53/24/37/674532437.db2.gz QCPIIDSMQHTVGV-VIFPVBQESA-N -1 3 367.221 2.061 20 5 FEBDHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823460346 606668186 /nfs/dbraw/zinc/66/81/86/606668186.db2.gz MVUBMGVAUQAGAZ-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823460346 606668187 /nfs/dbraw/zinc/66/81/87/606668187.db2.gz MVUBMGVAUQAGAZ-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000823421755 606901991 /nfs/dbraw/zinc/90/19/91/606901991.db2.gz HRAPBBPUGYOVDH-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000823421755 606901992 /nfs/dbraw/zinc/90/19/92/606901992.db2.gz HRAPBBPUGYOVDH-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823115128 606990881 /nfs/dbraw/zinc/99/08/81/606990881.db2.gz KMVNMIUVRQYJTL-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823115128 606990882 /nfs/dbraw/zinc/99/08/82/606990882.db2.gz KMVNMIUVRQYJTL-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823422402 607000627 /nfs/dbraw/zinc/00/06/27/607000627.db2.gz UAXSIMWJGCKYPS-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823422402 607000630 /nfs/dbraw/zinc/00/06/30/607000630.db2.gz UAXSIMWJGCKYPS-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823652001 607132004 /nfs/dbraw/zinc/13/20/04/607132004.db2.gz VNPCFVPPDZTXQV-LLVKDONJSA-N -1 3 359.390 2.464 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823652001 607132006 /nfs/dbraw/zinc/13/20/06/607132006.db2.gz VNPCFVPPDZTXQV-LLVKDONJSA-N -1 3 359.390 2.464 20 5 FEBDHM NC(=O)[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388499 607817031 /nfs/dbraw/zinc/81/70/31/607817031.db2.gz BFTYEUUJZOTGOK-CQSZACIVSA-N -1 3 370.394 2.235 20 5 FEBDHM NC(=O)[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388499 607817032 /nfs/dbraw/zinc/81/70/32/607817032.db2.gz BFTYEUUJZOTGOK-CQSZACIVSA-N -1 3 370.394 2.235 20 5 FEBDHM O=[N+]([O-])c1ccc(CSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826498136 607821081 /nfs/dbraw/zinc/82/10/81/607821081.db2.gz IMYQKDFOVANTRV-UHFFFAOYSA-N -1 3 359.327 2.370 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1c(F)cccc1F ZINC000826499465 607876783 /nfs/dbraw/zinc/87/67/83/607876783.db2.gz JNPMFVHLCGBWAR-GFCCVEGCSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1c(F)cccc1F ZINC000826499465 607876784 /nfs/dbraw/zinc/87/67/84/607876784.db2.gz JNPMFVHLCGBWAR-GFCCVEGCSA-N -1 3 363.280 2.166 20 5 FEBDHM C[C@@H](CO)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824436536 607967172 /nfs/dbraw/zinc/96/71/72/607967172.db2.gz UBOWESFFHAGNIY-SNVBAGLBSA-N -1 3 357.374 2.144 20 5 FEBDHM C[C@@H](CO)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824436536 607967173 /nfs/dbraw/zinc/96/71/73/607967173.db2.gz UBOWESFFHAGNIY-SNVBAGLBSA-N -1 3 357.374 2.144 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826172020 608360499 /nfs/dbraw/zinc/36/04/99/608360499.db2.gz JHGFZWWPTPFFRZ-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826172020 608360500 /nfs/dbraw/zinc/36/05/00/608360500.db2.gz JHGFZWWPTPFFRZ-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM CN(Cc1ccccn1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825986283 608374028 /nfs/dbraw/zinc/37/40/28/608374028.db2.gz XFZAKZWCHTYOID-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CN(Cc1ccccn1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825986283 608374030 /nfs/dbraw/zinc/37/40/30/608374030.db2.gz XFZAKZWCHTYOID-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CNc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826090943 608435283 /nfs/dbraw/zinc/43/52/83/608435283.db2.gz RHLCBQXKZSCOFM-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM CNc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826090943 608435285 /nfs/dbraw/zinc/43/52/85/608435285.db2.gz RHLCBQXKZSCOFM-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826442337 609312248 /nfs/dbraw/zinc/31/22/48/609312248.db2.gz RKMSWMXNLNROPY-UHFFFAOYSA-N -1 3 374.307 2.183 20 5 FEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826442337 609312250 /nfs/dbraw/zinc/31/22/50/609312250.db2.gz RKMSWMXNLNROPY-UHFFFAOYSA-N -1 3 374.307 2.183 20 5 FEBDHM Cc1nc2c(s1)[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CCC2 ZINC000826328420 609565782 /nfs/dbraw/zinc/56/57/82/609565782.db2.gz QPOAKHHAXNFMKG-NSHDSACASA-N -1 3 358.387 2.424 20 5 FEBDHM Cc1nc2c(s1)[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CCC2 ZINC000826328420 609565783 /nfs/dbraw/zinc/56/57/83/609565783.db2.gz QPOAKHHAXNFMKG-NSHDSACASA-N -1 3 358.387 2.424 20 5 FEBDHM COCC[C@@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826154297 609588489 /nfs/dbraw/zinc/58/84/89/609588489.db2.gz MCESPYCLGRCDKQ-NSHDSACASA-N -1 3 358.358 2.428 20 5 FEBDHM COCC[C@@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826154297 609588490 /nfs/dbraw/zinc/58/84/90/609588490.db2.gz MCESPYCLGRCDKQ-NSHDSACASA-N -1 3 358.358 2.428 20 5 FEBDHM COC(=O)c1ccc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000564206753 674983815 /nfs/dbraw/zinc/98/38/15/674983815.db2.gz RTBQCQLLCLVOTI-UHFFFAOYSA-N -1 3 364.335 2.482 20 5 FEBDHM O=c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c[nH]1 ZINC000564558929 675036623 /nfs/dbraw/zinc/03/66/23/675036623.db2.gz QNTGQOUNLSCSKH-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM Cc1nc(C)c(CC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[n-]1 ZINC000116599586 670907067 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FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c(F)c1 ZINC000612173467 676071962 /nfs/dbraw/zinc/07/19/62/676071962.db2.gz UMIUSERGENRJCN-NSHDSACASA-N -1 3 374.296 2.424 20 5 FEBDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593539587 672937402 /nfs/dbraw/zinc/93/74/02/672937402.db2.gz XVVKZPPIOMGRNB-UHFFFAOYSA-N -1 3 363.395 2.009 20 5 FEBDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593571704 672947343 /nfs/dbraw/zinc/94/73/43/672947343.db2.gz AGUISDABEFLBGL-TZMCWYRMSA-N -1 3 357.432 2.252 20 5 FEBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000593596696 672954490 /nfs/dbraw/zinc/95/44/90/672954490.db2.gz SVZHHAWEMNPZMS-ZDUSSCGKSA-N -1 3 371.440 2.089 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594807275 673149492 /nfs/dbraw/zinc/14/94/92/673149492.db2.gz WIRBCAIHTXWGEL-JTQLQIEISA-N -1 3 368.333 2.053 20 5 FEBDHM CCN(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 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374.781 2.173 20 5 FEBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](OCCN2CCCCC2)C1 ZINC000157964424 545806300 /nfs/dbraw/zinc/80/63/00/545806300.db2.gz WUCWVXLZTATKQO-AWEZNQCLSA-N -1 3 363.414 2.017 20 5 FEBDHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)C1 ZINC000159423089 545951840 /nfs/dbraw/zinc/95/18/40/545951840.db2.gz UDKLEDUOQVITCE-SECBINFHSA-N -1 3 350.404 2.259 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c(Cl)c1 ZINC000159552505 545962372 /nfs/dbraw/zinc/96/23/72/545962372.db2.gz QAXICRNOOLKNIH-ZDUSSCGKSA-N -1 3 362.835 2.468 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)cc1C ZINC000161057085 546097420 /nfs/dbraw/zinc/09/74/20/546097420.db2.gz CAVUXXHZQBQVFC-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(=O)n(C)c2)c1[N+](=O)[O-] ZINC000479115193 561181712 /nfs/dbraw/zinc/18/17/12/561181712.db2.gz LZZQCRBGVWLPER-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480709685 561214918 /nfs/dbraw/zinc/21/49/18/561214918.db2.gz NCSMZEGHHKVEGV-GFCCVEGCSA-N -1 3 358.416 2.222 20 5 FEBDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000480748492 561215812 /nfs/dbraw/zinc/21/58/12/561215812.db2.gz IAANAHIOKFMTOR-JTQLQIEISA-N -1 3 362.379 2.133 20 5 FEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CC(C)C ZINC000480979046 561221916 /nfs/dbraw/zinc/22/19/16/561221916.db2.gz DPIVWFZRDJOFFP-ZDUSSCGKSA-N -1 3 372.443 2.325 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H](C)CC ZINC000481006882 561222719 /nfs/dbraw/zinc/22/27/19/561222719.db2.gz QHQKFSAORICRNX-IINYFYTJSA-N -1 3 372.443 2.468 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000481054422 561223893 /nfs/dbraw/zinc/22/38/93/561223893.db2.gz HANBFVWKMMLREI-CQSZACIVSA-N -1 3 362.407 2.494 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000481055251 561223898 /nfs/dbraw/zinc/22/38/98/561223898.db2.gz UGGWSCCLUHIFBW-AWEZNQCLSA-N -1 3 368.386 2.363 20 5 FEBDHM Cc1ccc([C@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000177850178 546696070 /nfs/dbraw/zinc/69/60/70/546696070.db2.gz TUMDOQJRMONMRJ-NSHDSACASA-N -1 3 358.398 2.413 20 5 FEBDHM CSc1cc2c(cc1[N-]C(=O)c1cc([N+](=O)[O-])nn1C)OCCO2 ZINC000481875802 561244378 /nfs/dbraw/zinc/24/43/78/561244378.db2.gz PNYQMQUTTALPTK-UHFFFAOYSA-N -1 3 350.356 2.074 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000184861615 547888122 /nfs/dbraw/zinc/88/81/22/547888122.db2.gz GOZGQHHFTQKBSL-HNNXBMFYSA-N -1 3 360.407 2.262 20 5 FEBDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000485899891 561331708 /nfs/dbraw/zinc/33/17/08/561331708.db2.gz PAJRGUAZYUYGGY-UHFFFAOYSA-N -1 3 368.367 2.015 20 5 FEBDHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000486643906 561353097 /nfs/dbraw/zinc/35/30/97/561353097.db2.gz IXSMYBHUKFEVBI-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000489745811 561418295 /nfs/dbraw/zinc/41/82/95/561418295.db2.gz XZNWNWNFWKRRAP-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000490542179 561434838 /nfs/dbraw/zinc/43/48/38/561434838.db2.gz DGNPNCJMUOEBEY-UHFFFAOYSA-N -1 3 358.416 2.136 20 5 FEBDHM CCCc1nnc([N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1 ZINC000491300339 561444554 /nfs/dbraw/zinc/44/45/54/561444554.db2.gz HZEJZPASOJDRHR-UHFFFAOYSA-N -1 3 359.371 2.232 20 5 FEBDHM Cn1cnnc1Sc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000492166473 561449855 /nfs/dbraw/zinc/44/98/55/561449855.db2.gz FFDJMOCSJDYITP-UHFFFAOYSA-N -1 3 372.366 2.227 20 5 FEBDHM C[C@H](CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000270265702 550257506 /nfs/dbraw/zinc/25/75/06/550257506.db2.gz QCCWBDNKOYEBOO-VIFPVBQESA-N -1 3 370.349 2.301 20 5 FEBDHM CC(C)N1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C1 ZINC000273449329 550499319 /nfs/dbraw/zinc/49/93/19/550499319.db2.gz HBTBKYGYWUQQCB-UHFFFAOYSA-N -1 3 363.399 2.171 20 5 FEBDHM C[C@@H](c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000274978951 550568898 /nfs/dbraw/zinc/56/88/98/550568898.db2.gz LHNNIDDCNRGROF-LBPRGKRZSA-N -1 3 372.381 2.341 20 5 FEBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000276931677 550612383 /nfs/dbraw/zinc/61/23/83/550612383.db2.gz MLNNGVBBAWXTKO-UWVGGRQHSA-N -1 3 353.404 2.266 20 5 FEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]N1CCCCC1=O ZINC000284112232 551485825 /nfs/dbraw/zinc/48/58/25/551485825.db2.gz YUDQYPPKDLQFED-UHFFFAOYSA-N -1 3 356.176 2.323 20 5 FEBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000286529362 551896790 /nfs/dbraw/zinc/89/67/90/551896790.db2.gz BMDAZYZCHBDOIM-UHFFFAOYSA-N -1 3 360.432 2.335 20 5 FEBDHM COCc1nc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cs1 ZINC000290109381 552429048 /nfs/dbraw/zinc/42/90/48/552429048.db2.gz JMXAUDJTCFIOLV-UHFFFAOYSA-N -1 3 371.440 2.293 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000500965085 561586612 /nfs/dbraw/zinc/58/66/12/561586612.db2.gz NCPRXIGTPGAPKO-DOMZBBRYSA-N -1 3 372.443 2.035 20 5 FEBDHM CC(C)c1nnc(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000501009657 561587624 /nfs/dbraw/zinc/58/76/24/561587624.db2.gz CPIYYSDWFUATGY-UHFFFAOYSA-N -1 3 370.456 2.232 20 5 FEBDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000295237034 552973948 /nfs/dbraw/zinc/97/39/48/552973948.db2.gz DELNOIYZEUWXSD-LBPRGKRZSA-N -1 3 352.416 2.468 20 5 FEBDHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295246385 552975394 /nfs/dbraw/zinc/97/53/94/552975394.db2.gz JZYMIYLEXQEELE-LLVKDONJSA-N -1 3 368.333 2.459 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)c1 ZINC000295532745 553021594 /nfs/dbraw/zinc/02/15/94/553021594.db2.gz QKXYSFOFIFTQFO-SECBINFHSA-N -1 3 350.824 2.384 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000296223448 553125040 /nfs/dbraw/zinc/12/50/40/553125040.db2.gz WHFXNCMYUJFQOL-UHFFFAOYSA-N -1 3 365.411 2.218 20 5 FEBDHM CCOC(=O)c1nc([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])oc1C ZINC000298052876 553377598 /nfs/dbraw/zinc/37/75/98/553377598.db2.gz QJDGKWMJZZJOAZ-UHFFFAOYSA-N -1 3 367.289 2.468 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000503479983 561642463 /nfs/dbraw/zinc/64/24/63/561642463.db2.gz UONNLBVKAFWCBE-WFASDCNBSA-N -1 3 372.443 2.035 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000326122668 553779197 /nfs/dbraw/zinc/77/91/97/553779197.db2.gz GFFVMTKHKMNUEE-QWRGUYRKSA-N -1 3 356.400 2.238 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@](C)(CO)c1ccccc1 ZINC000326117515 553779286 /nfs/dbraw/zinc/77/92/86/553779286.db2.gz HCWRCNGKIKCIKX-INIZCTEOSA-N -1 3 350.396 2.089 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(CO)cc2)cc1C ZINC000327000008 553785422 /nfs/dbraw/zinc/78/54/22/553785422.db2.gz WIFDYYCDWHNOKA-UHFFFAOYSA-N -1 3 350.396 2.182 20 5 FEBDHM COCCOc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000506881603 561710836 /nfs/dbraw/zinc/71/08/36/561710836.db2.gz IPVCEBYQTUWHFB-UHFFFAOYSA-N -1 3 357.326 2.144 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)N1CCC(C)CC1 ZINC000330763543 554168361 /nfs/dbraw/zinc/16/83/61/554168361.db2.gz OXQOQOXFALXOPB-AWEZNQCLSA-N -1 3 355.460 2.302 20 5 FEBDHM COc1cc([O-])cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000509543678 561804601 /nfs/dbraw/zinc/80/46/01/561804601.db2.gz VRVRIHBXDLTTTN-UHFFFAOYSA-N -1 3 355.310 2.142 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)c1C ZINC000332109633 554381807 /nfs/dbraw/zinc/38/18/07/554381807.db2.gz DYERPFSWTAGUNH-OAHLLOKOSA-N -1 3 356.444 2.287 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000510615823 561840926 /nfs/dbraw/zinc/84/09/26/561840926.db2.gz MLOATWLADNRLKO-QMMMGPOBSA-N -1 3 373.337 2.316 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000511030876 561854338 /nfs/dbraw/zinc/85/43/38/561854338.db2.gz PFUBHIDJUHMZBB-SECBINFHSA-N -1 3 357.338 2.449 20 5 FEBDHM CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1c1cccs1 ZINC000361390544 554920429 /nfs/dbraw/zinc/92/04/29/554920429.db2.gz GVEOTMPGYCIAAA-QMTHXVAHSA-N -1 3 362.411 2.180 20 5 FEBDHM CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000364675935 555371190 /nfs/dbraw/zinc/37/11/90/555371190.db2.gz VNWJDHLRDAETFT-YJBOKZPZSA-N -1 3 370.409 2.460 20 5 FEBDHM Cc1cccc([O-])c1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513639191 561945628 /nfs/dbraw/zinc/94/56/28/561945628.db2.gz YXPCAMGSDROHRF-UHFFFAOYSA-N -1 3 350.352 2.265 20 5 FEBDHM O=[N+]([O-])c1cc2c(nc1[N-]c1cnn(CCN3CCOCC3)c1)CCCC2 ZINC000516967276 562068075 /nfs/dbraw/zinc/06/80/75/562068075.db2.gz HFQQKPZYOIAGJR-UHFFFAOYSA-N -1 3 372.429 2.141 20 5 FEBDHM Cc1c(C(=O)[N-]c2ncn(-c3ccccn3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000371509605 557204946 /nfs/dbraw/zinc/20/49/46/557204946.db2.gz QDKZZGIRWYNWPM-UHFFFAOYSA-N -1 3 369.297 2.039 20 5 FEBDHM COCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cs1 ZINC000522919442 562205917 /nfs/dbraw/zinc/20/59/17/562205917.db2.gz XWMMLVOBMMHUDY-UHFFFAOYSA-N -1 3 351.340 2.237 20 5 FEBDHM CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000378539312 558578583 /nfs/dbraw/zinc/57/85/83/558578583.db2.gz BXORXCUCUSEYOM-ZDUSSCGKSA-N -1 3 357.366 2.270 20 5 FEBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000525149963 562241331 /nfs/dbraw/zinc/24/13/31/562241331.db2.gz QKJVDNPEJQZJFR-UHFFFAOYSA-N -1 3 362.342 2.211 20 5 FEBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000525149963 562241332 /nfs/dbraw/zinc/24/13/32/562241332.db2.gz QKJVDNPEJQZJFR-UHFFFAOYSA-N -1 3 362.342 2.211 20 5 FEBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000525185058 562242216 /nfs/dbraw/zinc/24/22/16/562242216.db2.gz FHKQENFUFHFUPJ-UHFFFAOYSA-N -1 3 363.395 2.340 20 5 FEBDHM C[C@]1(C[C@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)NC(=O)[N-]C1=O ZINC000413275882 559094654 /nfs/dbraw/zinc/09/46/54/559094654.db2.gz BUWYCOQPZHKONW-ADLMAVQZSA-N -1 3 369.381 2.100 20 5 FEBDHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410143 559310906 /nfs/dbraw/zinc/31/09/06/559310906.db2.gz WQFISJSIPWMDMT-JTQLQIEISA-N -1 3 370.349 2.299 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)C ZINC000416531189 559320032 /nfs/dbraw/zinc/32/00/32/559320032.db2.gz NQRYAUYKYRABHH-ZWNOBZJWSA-N -1 3 356.400 2.094 20 5 FEBDHM COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)Cc1ccc([O-])c(F)c1 ZINC000420640181 559494663 /nfs/dbraw/zinc/49/46/63/559494663.db2.gz SMBQPLAOIRNYRA-GFCCVEGCSA-N -1 3 363.345 2.587 20 5 FEBDHM CC(C)(NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000427135615 559748837 /nfs/dbraw/zinc/74/88/37/559748837.db2.gz DOPROCLCWMDGPR-UHFFFAOYSA-N -1 3 357.366 2.082 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)cc2NC(C)=O)n1 ZINC000427459659 559755861 /nfs/dbraw/zinc/75/58/61/559755861.db2.gz RVGHGQDJFMXCLR-UHFFFAOYSA-N -1 3 353.285 2.300 20 5 FEBDHM O=C(Nc1ccccc1[O-])c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431637947 559843169 /nfs/dbraw/zinc/84/31/69/559843169.db2.gz UFADMDHFIAPIEB-UHFFFAOYSA-N -1 3 355.306 2.206 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c1C ZINC000433362329 559878675 /nfs/dbraw/zinc/87/86/75/559878675.db2.gz JOYKVSYBOZOERW-UHFFFAOYSA-N -1 3 368.455 2.433 20 5 FEBDHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000433883023 559889595 /nfs/dbraw/zinc/88/95/95/559889595.db2.gz CMZGMUGETQFOCN-OAQKJQOQSA-N -1 3 362.429 2.141 20 5 FEBDHM COc1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000436927525 559956676 /nfs/dbraw/zinc/95/66/76/559956676.db2.gz RUOCSMJBWMTCLD-LLVKDONJSA-N -1 3 358.354 2.031 20 5 FEBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436945535 559957092 /nfs/dbraw/zinc/95/70/92/559957092.db2.gz ANILZTWCJXXGFB-UHFFFAOYSA-N -1 3 372.381 2.414 20 5 FEBDHM COc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000436946451 559957259 /nfs/dbraw/zinc/95/72/59/559957259.db2.gz PPKINJQGPIKYBP-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445156254 560129985 /nfs/dbraw/zinc/12/99/85/560129985.db2.gz FOVIRRWSDMKHDR-SNVBAGLBSA-N -1 3 359.338 2.299 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC(=O)c2cccn21 ZINC000448113994 560178354 /nfs/dbraw/zinc/17/83/54/560178354.db2.gz OYIXWPFUSZEEHW-HNNXBMFYSA-N -1 3 365.349 2.943 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)cc1C ZINC000451945209 560339859 /nfs/dbraw/zinc/33/98/59/560339859.db2.gz HXNCWXUHDLCGIK-NWDGAFQWSA-N -1 3 350.400 2.392 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCCC1 ZINC000452070463 560349325 /nfs/dbraw/zinc/34/93/25/560349325.db2.gz PNDANCFNBHLHST-JTQLQIEISA-N -1 3 356.400 2.238 20 5 FEBDHM CC[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453151161 560383870 /nfs/dbraw/zinc/38/38/70/560383870.db2.gz VPNBPANHPFDROQ-CQSZACIVSA-N -1 3 364.427 2.009 20 5 FEBDHM CCC1(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000456214975 560511815 /nfs/dbraw/zinc/51/18/15/560511815.db2.gz GUUUNPAISBCPDL-UHFFFAOYSA-N -1 3 369.443 2.102 20 5 FEBDHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461853745 560785472 /nfs/dbraw/zinc/78/54/72/560785472.db2.gz OPLQMQRVXWEUGB-MNOVXSKESA-N -1 3 356.400 2.081 20 5 FEBDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464423100 560841450 /nfs/dbraw/zinc/84/14/50/560841450.db2.gz BLVXZUKZLDAYAF-UHFFFAOYSA-N -1 3 364.408 2.386 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000466587740 560890776 /nfs/dbraw/zinc/89/07/76/560890776.db2.gz RKIPQWPHCJFDIA-GJZGRUSLSA-N -1 3 358.391 2.217 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)c([N+](=O)[O-])c1 ZINC000467774461 560917039 /nfs/dbraw/zinc/91/70/39/560917039.db2.gz YETCODBOAXIRTH-UHFFFAOYSA-N -1 3 356.429 2.357 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000467980693 560920528 /nfs/dbraw/zinc/92/05/28/560920528.db2.gz CNJVBQXGZQHESE-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000468613960 560933967 /nfs/dbraw/zinc/93/39/67/560933967.db2.gz ZABFMRVKFMPDMF-JTQLQIEISA-N -1 3 370.369 2.351 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c(Cl)c1 ZINC000472692068 561033054 /nfs/dbraw/zinc/03/30/54/561033054.db2.gz KXPQSRAMUKGDJN-NSHDSACASA-N -1 3 362.816 2.322 20 5 FEBDHM CC1CCC(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477169358 561138329 /nfs/dbraw/zinc/13/83/29/561138329.db2.gz VVBYGHZSIGHSHZ-UHFFFAOYSA-N -1 3 370.427 2.471 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COc2ccc(C)cc21 ZINC000532419216 562477355 /nfs/dbraw/zinc/47/73/55/562477355.db2.gz JTTNTYKFCDUOLT-CYBMUJFWSA-N -1 3 364.379 2.324 20 5 FEBDHM O=C([O-])c1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000568095060 567879285 /nfs/dbraw/zinc/87/92/85/567879285.db2.gz XQNHSIJZIGRGQT-MRXNPFEDSA-N -1 3 371.393 2.124 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCOCC1CCOCC1 ZINC000738360851 598973705 /nfs/dbraw/zinc/97/37/05/598973705.db2.gz ZWLKNPWHGYXZCH-UHFFFAOYSA-N -1 3 362.390 2.020 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCOCC1CCOCC1 ZINC000738360851 598973706 /nfs/dbraw/zinc/97/37/06/598973706.db2.gz ZWLKNPWHGYXZCH-UHFFFAOYSA-N -1 3 362.390 2.020 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822927868 599181867 /nfs/dbraw/zinc/18/18/67/599181867.db2.gz BPVYHPAOAZXWII-FPYGCLRLSA-N -1 3 368.328 2.244 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822927868 599181870 /nfs/dbraw/zinc/18/18/70/599181870.db2.gz BPVYHPAOAZXWII-FPYGCLRLSA-N -1 3 368.328 2.244 20 5 FEBDHM Cc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cccc1-c1nnn[n-]1 ZINC000822110048 607322037 /nfs/dbraw/zinc/32/20/37/607322037.db2.gz UQANGEMAWIFFCH-UHFFFAOYSA-N -1 3 368.309 2.064 20 5 FEBDHM Cc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cccc1-c1nn[n-]n1 ZINC000822110048 607322038 /nfs/dbraw/zinc/32/20/38/607322038.db2.gz UQANGEMAWIFFCH-UHFFFAOYSA-N -1 3 368.309 2.064 20 5 FEBDHM CC(C)c1nc2c(n1C)CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000735942036 598375454 /nfs/dbraw/zinc/37/54/54/598375454.db2.gz BDOHOCFRRBYSDS-UHFFFAOYSA-N -1 3 368.401 2.195 20 5 FEBDHM Cc1cccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826296313 607357438 /nfs/dbraw/zinc/35/74/38/607357438.db2.gz RGNGFULAMMVFAB-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826296313 607357440 /nfs/dbraw/zinc/35/74/40/607357440.db2.gz RGNGFULAMMVFAB-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM COC(=O)N(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736932357 598499342 /nfs/dbraw/zinc/49/93/42/598499342.db2.gz LBNFWGZPUBBDJI-UHFFFAOYSA-N -1 3 370.329 2.116 20 5 FEBDHM COC(=O)N(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736932357 598499343 /nfs/dbraw/zinc/49/93/43/598499343.db2.gz LBNFWGZPUBBDJI-UHFFFAOYSA-N -1 3 370.329 2.116 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738374584 598538839 /nfs/dbraw/zinc/53/88/39/598538839.db2.gz QQZBWOHNKIONEY-JTQLQIEISA-N -1 3 353.342 2.148 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738374584 598538840 /nfs/dbraw/zinc/53/88/40/598538840.db2.gz QQZBWOHNKIONEY-JTQLQIEISA-N -1 3 353.342 2.148 20 5 FEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738115969 598628001 /nfs/dbraw/zinc/62/80/01/598628001.db2.gz GXLYPTKUPZJZJX-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738115969 598628003 /nfs/dbraw/zinc/62/80/03/598628003.db2.gz GXLYPTKUPZJZJX-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823344156 607364795 /nfs/dbraw/zinc/36/47/95/607364795.db2.gz SDQUFEZBVXWBLQ-UHFFFAOYSA-N -1 3 364.243 2.445 20 5 FEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823344156 607364797 /nfs/dbraw/zinc/36/47/97/607364797.db2.gz SDQUFEZBVXWBLQ-UHFFFAOYSA-N -1 3 364.243 2.445 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000738232038 598711402 /nfs/dbraw/zinc/71/14/02/598711402.db2.gz NOMNOPJKMQUSRP-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000738232038 598711403 /nfs/dbraw/zinc/71/14/03/598711403.db2.gz NOMNOPJKMQUSRP-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736298086 598735784 /nfs/dbraw/zinc/73/57/84/598735784.db2.gz OOZIOEYOYIHERK-JTQLQIEISA-N -1 3 350.338 2.366 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736298086 598735785 /nfs/dbraw/zinc/73/57/85/598735785.db2.gz OOZIOEYOYIHERK-JTQLQIEISA-N -1 3 350.338 2.366 20 5 FEBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000736892673 599322324 /nfs/dbraw/zinc/32/23/24/599322324.db2.gz OTAQPHWBIUPZHN-CQSZACIVSA-N -1 3 368.353 2.144 20 5 FEBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000736892673 599322327 /nfs/dbraw/zinc/32/23/27/599322327.db2.gz OTAQPHWBIUPZHN-CQSZACIVSA-N -1 3 368.353 2.144 20 5 FEBDHM C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820457172 599353682 /nfs/dbraw/zinc/35/36/82/599353682.db2.gz YHTQJKAZPWQSNU-VIFPVBQESA-N -1 3 353.342 2.047 20 5 FEBDHM C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820457172 599353686 /nfs/dbraw/zinc/35/36/86/599353686.db2.gz YHTQJKAZPWQSNU-VIFPVBQESA-N -1 3 353.342 2.047 20 5 FEBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736602167 599518714 /nfs/dbraw/zinc/51/87/14/599518714.db2.gz HYJJOUFZKDTFRJ-UHFFFAOYSA-N -1 3 356.298 2.139 20 5 FEBDHM CCOC(=O)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736598673 599535976 /nfs/dbraw/zinc/53/59/76/599535976.db2.gz FZLMNNAOOMTBJJ-UHFFFAOYSA-N -1 3 369.341 2.019 20 5 FEBDHM CCOC(=O)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736598673 599535978 /nfs/dbraw/zinc/53/59/78/599535978.db2.gz FZLMNNAOOMTBJJ-UHFFFAOYSA-N -1 3 369.341 2.019 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737801026 599546804 /nfs/dbraw/zinc/54/68/04/599546804.db2.gz RPHUTNQQEVSXOU-CMDGGOBGSA-N -1 3 362.349 2.377 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737801026 599546806 /nfs/dbraw/zinc/54/68/06/599546806.db2.gz RPHUTNQQEVSXOU-CMDGGOBGSA-N -1 3 362.349 2.377 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000821749452 607409209 /nfs/dbraw/zinc/40/92/09/607409209.db2.gz NAFRSXOOZAXHGK-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000821749452 607409211 /nfs/dbraw/zinc/40/92/11/607409211.db2.gz NAFRSXOOZAXHGK-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(COc2ccc(C=O)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207419 607540543 /nfs/dbraw/zinc/54/05/43/607540543.db2.gz NJYFCUWYUXWJPB-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(COc2ccc(C=O)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826207419 607540545 /nfs/dbraw/zinc/54/05/45/607540545.db2.gz NJYFCUWYUXWJPB-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000826204476 607560619 /nfs/dbraw/zinc/56/06/19/607560619.db2.gz MRSOPSRPBAKUCO-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000826204476 607560620 /nfs/dbraw/zinc/56/06/20/607560620.db2.gz MRSOPSRPBAKUCO-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821682548 606141294 /nfs/dbraw/zinc/14/12/94/606141294.db2.gz IMEJTBDFGSPNRI-CQSZACIVSA-N -1 3 354.370 2.445 20 5 FEBDHM COC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821682548 606141295 /nfs/dbraw/zinc/14/12/95/606141295.db2.gz IMEJTBDFGSPNRI-CQSZACIVSA-N -1 3 354.370 2.445 20 5 FEBDHM CN(CCOCC1CC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821603631 606733381 /nfs/dbraw/zinc/73/33/81/606733381.db2.gz HRXZYBMBHUPPJX-UHFFFAOYSA-N -1 3 369.385 2.186 20 5 FEBDHM CN(CCOCC1CC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821603631 606733383 /nfs/dbraw/zinc/73/33/83/606733383.db2.gz HRXZYBMBHUPPJX-UHFFFAOYSA-N -1 3 369.385 2.186 20 5 FEBDHM NC(=O)c1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822884922 606785612 /nfs/dbraw/zinc/78/56/12/606785612.db2.gz DPOACVCCFVYOHP-UHFFFAOYSA-N -1 3 374.744 2.106 20 5 FEBDHM NC(=O)c1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822884922 606785614 /nfs/dbraw/zinc/78/56/14/606785614.db2.gz DPOACVCCFVYOHP-UHFFFAOYSA-N -1 3 374.744 2.106 20 5 FEBDHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820231143 606945674 /nfs/dbraw/zinc/94/56/74/606945674.db2.gz BEDUISSPSJXINS-IINYFYTJSA-N -1 3 355.358 2.094 20 5 FEBDHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820231143 606945675 /nfs/dbraw/zinc/94/56/75/606945675.db2.gz BEDUISSPSJXINS-IINYFYTJSA-N -1 3 355.358 2.094 20 5 FEBDHM CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574327 606962803 /nfs/dbraw/zinc/96/28/03/606962803.db2.gz BEBWASYIEKMHNF-UHFFFAOYSA-N -1 3 361.749 2.043 20 5 FEBDHM CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574327 606962805 /nfs/dbraw/zinc/96/28/05/606962805.db2.gz BEBWASYIEKMHNF-UHFFFAOYSA-N -1 3 361.749 2.043 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826400626 607949138 /nfs/dbraw/zinc/94/91/38/607949138.db2.gz CTWYDYLUPMRQPK-BAQGIRSFSA-N -1 3 362.349 2.377 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826400626 607949139 /nfs/dbraw/zinc/94/91/39/607949139.db2.gz CTWYDYLUPMRQPK-BAQGIRSFSA-N -1 3 362.349 2.377 20 5 FEBDHM Cc1cnc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000826319185 608053254 /nfs/dbraw/zinc/05/32/54/608053254.db2.gz RCEYZWLMHYBBKY-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000826319185 608053255 /nfs/dbraw/zinc/05/32/55/608053255.db2.gz RCEYZWLMHYBBKY-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499578 608235804 /nfs/dbraw/zinc/23/58/04/608235804.db2.gz NXKKBIGGCJUFEO-UHFFFAOYSA-N -1 3 367.369 2.082 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499578 608235806 /nfs/dbraw/zinc/23/58/06/608235806.db2.gz NXKKBIGGCJUFEO-UHFFFAOYSA-N -1 3 367.369 2.082 20 5 FEBDHM C[C@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824564548 608563962 /nfs/dbraw/zinc/56/39/62/608563962.db2.gz VNEQKIXTMXYXGI-NSHDSACASA-N -1 3 367.369 2.064 20 5 FEBDHM CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572646349 671027713 /nfs/dbraw/zinc/02/77/13/671027713.db2.gz UZJYCBYRWAWBQN-GFCCVEGCSA-N -1 3 371.821 2.137 20 5 FEBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577640228 671610600 /nfs/dbraw/zinc/61/06/00/671610600.db2.gz HBQBOWQCBQXVBZ-KOLCDFICSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(F)c1 ZINC000580178956 671788131 /nfs/dbraw/zinc/78/81/31/671788131.db2.gz XWRRMBQZWWTJNR-SNVBAGLBSA-N -1 3 352.343 2.188 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@H]21 ZINC000610266126 675962965 /nfs/dbraw/zinc/96/29/65/675962965.db2.gz ZWFIFICXCMKUKL-LERXQTSPSA-N -1 3 358.391 2.216 20 5 FEBDHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)s1 ZINC000610895529 676004212 /nfs/dbraw/zinc/00/42/12/676004212.db2.gz YSCPSIWCDUMSQD-UHFFFAOYSA-N -1 3 366.355 2.274 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589922763 672547887 /nfs/dbraw/zinc/54/78/87/672547887.db2.gz NUDABNPNFOZVJC-BXKDBHETSA-N -1 3 368.333 2.027 20 5 FEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591432 672593745 /nfs/dbraw/zinc/59/37/45/672593745.db2.gz NMSRIIAZRSFVBL-UHFFFAOYSA-N -1 3 357.363 2.168 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591754 672594378 /nfs/dbraw/zinc/59/43/78/672594378.db2.gz UJPHFNDXXDTPBZ-JTQLQIEISA-N -1 3 356.379 2.124 20 5 FEBDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593536992 672936763 /nfs/dbraw/zinc/93/67/63/672936763.db2.gz ZZPMLVPVOMEJJE-GFCCVEGCSA-N -1 3 365.411 2.298 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c(F)c1 ZINC000594474757 673080872 /nfs/dbraw/zinc/08/08/72/673080872.db2.gz RYDXYVBNQQIYCW-ZFWWWQNUSA-N -1 3 358.391 2.360 20 5 FEBDHM O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596230309 673370001 /nfs/dbraw/zinc/37/00/01/673370001.db2.gz XAWUWXPCYQHXSQ-UHFFFAOYSA-N -1 3 365.777 2.394 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000538285949 673431743 /nfs/dbraw/zinc/43/17/43/673431743.db2.gz BCZSHDUODBDSRM-NHYWBVRUSA-N -1 3 374.390 2.134 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000734848220 673474372 /nfs/dbraw/zinc/47/43/72/673474372.db2.gz KYOQOIAHBKEVGS-CQSZACIVSA-N -1 3 366.374 2.188 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCC(F)(F)F)c(F)c1 ZINC000539857572 673510243 /nfs/dbraw/zinc/51/02/43/673510243.db2.gz XECLSUBSGWBERG-UHFFFAOYSA-N -1 3 362.326 2.308 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000736061840 673512357 /nfs/dbraw/zinc/51/23/57/673512357.db2.gz LICONOCLVXSLAG-UHFFFAOYSA-N -1 3 370.774 2.458 20 5 FEBDHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000543253221 673636248 /nfs/dbraw/zinc/63/62/48/673636248.db2.gz HENWXHRHCIWMFQ-BDAKNGLRSA-N -1 3 364.807 2.114 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000742322566 673722246 /nfs/dbraw/zinc/72/22/46/673722246.db2.gz UAJRTVPLIDUQSX-UHFFFAOYSA-N -1 3 369.330 2.163 20 5 FEBDHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000603440166 675799525 /nfs/dbraw/zinc/79/95/25/675799525.db2.gz VCORFOMNUQDQNR-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM Cn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000748069786 679927247 /nfs/dbraw/zinc/92/72/47/679927247.db2.gz WTUIHWPMEASKNA-UHFFFAOYSA-N -1 3 374.216 2.174 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C(=O)OC2CCCC2)cc1[N+](=O)[O-] ZINC000767803987 680927347 /nfs/dbraw/zinc/92/73/47/680927347.db2.gz JQMOSVYKNVWNSM-QMMMGPOBSA-N -1 3 362.429 2.117 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000848509631 681567083 /nfs/dbraw/zinc/56/70/83/681567083.db2.gz LMOMAKKHUOBPST-CHWSQXEVSA-N -1 3 357.407 2.029 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000848584367 681583591 /nfs/dbraw/zinc/58/35/91/681583591.db2.gz WDNSVZVDQGTBJH-LBPRGKRZSA-N -1 3 356.281 2.318 20 5 FEBDHM CCOC(=O)c1c(N)sc2c1CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000853413651 682412711 /nfs/dbraw/zinc/41/27/11/682412711.db2.gz SWZPWQWAEXLWPC-UHFFFAOYSA-N -1 3 364.383 2.079 20 5 FEBDHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853456560 682416603 /nfs/dbraw/zinc/41/66/03/682416603.db2.gz ROUMGDYYADCNTI-MNOVXSKESA-N -1 3 352.391 2.435 20 5 FEBDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853471052 682419295 /nfs/dbraw/zinc/41/92/95/682419295.db2.gz BRMJFEXXICVFJO-MNOVXSKESA-N -1 3 352.391 2.435 20 5 FEBDHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853642866 682451103 /nfs/dbraw/zinc/45/11/03/682451103.db2.gz TZZFQSUVDGIDEK-UWVGGRQHSA-N -1 3 356.354 2.455 20 5 FEBDHM COc1cc(C)c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1Cl ZINC000788492128 682533649 /nfs/dbraw/zinc/53/36/49/682533649.db2.gz SPEXYPBKORGLAV-UHFFFAOYSA-N -1 3 372.790 2.266 20 5 FEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000791331542 682735333 /nfs/dbraw/zinc/73/53/33/682735333.db2.gz DQXQRDDQZAPRAE-UHFFFAOYSA-N -1 3 351.241 2.439 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC000920046223 683315591 /nfs/dbraw/zinc/31/55/91/683315591.db2.gz AXAWNUXVBNHYJX-UHFFFAOYSA-N -1 3 373.368 2.052 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000921320229 683421656 /nfs/dbraw/zinc/42/16/56/683421656.db2.gz FTANZOSOTJIHEY-GOEBONIOSA-N -1 3 366.370 2.486 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC23CCOCC3)c(F)c1 ZINC000867777068 684381348 /nfs/dbraw/zinc/38/13/48/684381348.db2.gz PUYCBEWSJOOSSN-LLVKDONJSA-N -1 3 358.391 2.219 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC2(COC2)CC1 ZINC000882824311 687504898 /nfs/dbraw/zinc/50/48/98/687504898.db2.gz PCNQBPNSCPGURN-UHFFFAOYSA-N -1 3 360.819 2.486 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007026328 539444707 /nfs/dbraw/zinc/44/47/07/539444707.db2.gz FERWLQSUDSFGHC-UHFFFAOYSA-N -1 3 350.352 2.228 20 5 FEBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000024485127 539733337 /nfs/dbraw/zinc/73/33/37/539733337.db2.gz QNYYYOGTJXFJCH-GFCCVEGCSA-N -1 3 370.408 2.239 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000047355127 540304943 /nfs/dbraw/zinc/30/49/43/540304943.db2.gz NUMUXUWYNJJGTJ-UHFFFAOYSA-N -1 3 368.342 2.367 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000055963293 540690708 /nfs/dbraw/zinc/69/07/08/540690708.db2.gz KLIOICOVICOZAA-GFCCVEGCSA-N -1 3 373.818 2.422 20 5 FEBDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056139244 540706299 /nfs/dbraw/zinc/70/62/99/540706299.db2.gz YOOARSKHGFNFGF-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000629 541277695 /nfs/dbraw/zinc/27/76/95/541277695.db2.gz YZSPFCHHVUIPEM-UHFFFAOYSA-N -1 3 357.413 2.317 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000066333720 541303264 /nfs/dbraw/zinc/30/32/64/541303264.db2.gz ZXCMDMREFIBQBG-UHFFFAOYSA-N -1 3 358.397 2.152 20 5 FEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068961994 541644153 /nfs/dbraw/zinc/64/41/53/541644153.db2.gz GIKCAPLOVVLAAS-UHFFFAOYSA-N -1 3 370.394 2.183 20 5 FEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068961994 541644154 /nfs/dbraw/zinc/64/41/54/541644154.db2.gz GIKCAPLOVVLAAS-UHFFFAOYSA-N -1 3 370.394 2.183 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000069125049 541660495 /nfs/dbraw/zinc/66/04/95/541660495.db2.gz OPPSRXMNNZMHNA-GFCCVEGCSA-N -1 3 352.416 2.293 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](c1ccccc1)N(C)C ZINC000076190283 542241372 /nfs/dbraw/zinc/24/13/72/542241372.db2.gz OWIOLQUQSHXHHT-MRXNPFEDSA-N -1 3 363.439 2.484 20 5 FEBDHM O=C(NCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc([O-])cc1 ZINC000076990962 542339367 /nfs/dbraw/zinc/33/93/67/542339367.db2.gz UBPVELITSLEMDK-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000096996770 543001791 /nfs/dbraw/zinc/00/17/91/543001791.db2.gz SHTSEZOMDNMFQU-HNNXBMFYSA-N -1 3 367.402 2.315 20 5 FEBDHM O=C(NC1CCN(Cc2ccsc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115717077 543583411 /nfs/dbraw/zinc/58/34/11/543583411.db2.gz DXEJZOOMUCCUGY-UHFFFAOYSA-N -1 3 362.411 2.151 20 5 FEBDHM Cc1ccc([O-])c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000122687495 543718447 /nfs/dbraw/zinc/71/84/47/543718447.db2.gz DBOHRDNQQXFBHD-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000122954795 543733535 /nfs/dbraw/zinc/73/35/35/543733535.db2.gz UUNKVPTXXFTNMF-UHFFFAOYSA-N -1 3 366.424 2.133 20 5 FEBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000128796745 544073805 /nfs/dbraw/zinc/07/38/05/544073805.db2.gz QOOQHCBCMOKDPE-JTQLQIEISA-N -1 3 350.824 2.324 20 5 FEBDHM CN(CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131823727 544208077 /nfs/dbraw/zinc/20/80/77/544208077.db2.gz PRCUDRVUISRAIS-UHFFFAOYSA-N -1 3 360.395 2.404 20 5 FEBDHM COc1cc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C ZINC000153315666 544760244 /nfs/dbraw/zinc/76/02/44/544760244.db2.gz FRPHIWCKLJKPDC-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180051125 327669264 /nfs/dbraw/zinc/66/92/64/327669264.db2.gz ZEYIVLPINSPBOR-UHFFFAOYSA-N -1 3 372.834 2.385 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000186329323 327957386 /nfs/dbraw/zinc/95/73/86/327957386.db2.gz BKQHVTDLYVPZMO-UHFFFAOYSA-N -1 3 360.388 2.325 20 5 FEBDHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000190132472 328190335 /nfs/dbraw/zinc/19/03/35/328190335.db2.gz NDMWSHDNDLAEON-LLVKDONJSA-N -1 3 370.349 2.299 20 5 FEBDHM COc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1[O-] ZINC000192522458 328323548 /nfs/dbraw/zinc/32/35/48/328323548.db2.gz ORLFZUGNLKGDNZ-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CNC2 ZINC000193430252 328374770 /nfs/dbraw/zinc/37/47/70/328374770.db2.gz ORWFGYWVBLDTOW-UHFFFAOYSA-N -1 3 367.814 2.330 20 5 FEBDHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000193691970 328389836 /nfs/dbraw/zinc/38/98/36/328389836.db2.gz FSMALCGSHACQAR-IUODEOHRSA-N -1 3 356.382 2.088 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007907973 324358999 /nfs/dbraw/zinc/35/89/99/324358999.db2.gz AZGPLWXXFGRKHH-UHFFFAOYSA-N -1 3 357.338 2.263 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000088780667 325301953 /nfs/dbraw/zinc/30/19/53/325301953.db2.gz QMCLKNUSQPEFMN-UHFFFAOYSA-N -1 3 353.400 2.495 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)NCCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000119962081 326215956 /nfs/dbraw/zinc/21/59/56/326215956.db2.gz PDNMTIMBAPJROU-UHFFFAOYSA-N -1 3 371.393 2.088 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000123377478 326429317 /nfs/dbraw/zinc/42/93/17/326429317.db2.gz ZEYRFTOGGGUEDA-LLVKDONJSA-N -1 3 361.489 2.363 20 5 FEBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000123760886 326441912 /nfs/dbraw/zinc/44/19/12/326441912.db2.gz ROKNFYOZLMSURL-JTQLQIEISA-N -1 3 350.824 2.325 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000153983051 326748008 /nfs/dbraw/zinc/74/80/08/326748008.db2.gz KHKRSPKXUFXYRE-MRXNPFEDSA-N -1 3 368.386 2.061 20 5 FEBDHM Cc1nn2c(nnc2SCc2c(Cl)cccc2[N+](=O)[O-])[n-]c1=O ZINC000154555401 326763066 /nfs/dbraw/zinc/76/30/66/326763066.db2.gz LRXJZPSWWJVTKU-UHFFFAOYSA-N -1 3 352.763 2.387 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)cc1C ZINC000162636726 327030298 /nfs/dbraw/zinc/03/02/98/327030298.db2.gz KQICVRDGSZSZKK-HIFRSBDPSA-N -1 3 354.428 2.448 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000174669865 327342458 /nfs/dbraw/zinc/34/24/58/327342458.db2.gz MRKSLTAZUFUTBE-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000175404851 327391030 /nfs/dbraw/zinc/39/10/30/327391030.db2.gz YYODHNKLFPNQDO-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249766142 328780327 /nfs/dbraw/zinc/78/03/27/328780327.db2.gz INAHTEGDRRYZJB-HOSYDEDBSA-N -1 3 360.819 2.402 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCSC2)c1 ZINC000266280827 329207686 /nfs/dbraw/zinc/20/76/86/329207686.db2.gz JGKBWHQISDPSKF-MRVPVSSYSA-N -1 3 367.246 2.141 20 5 FEBDHM COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1[N+](=O)[O-] ZINC000267248825 329306576 /nfs/dbraw/zinc/30/65/76/329306576.db2.gz GFDFRIMTHMRUEV-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1C(C)C ZINC000267826293 329360973 /nfs/dbraw/zinc/36/09/73/329360973.db2.gz ZACLDTOPXLUEBA-MLGOLLRUSA-N -1 3 372.443 2.333 20 5 FEBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269488778 329525078 /nfs/dbraw/zinc/52/50/78/329525078.db2.gz RLSCIDHRFIZVEJ-SSDOTTSWSA-N -1 3 369.262 2.387 20 5 FEBDHM CCOC(CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])OCC ZINC000276406890 330149194 /nfs/dbraw/zinc/14/91/94/330149194.db2.gz UFRJTJZFJHNQFV-UHFFFAOYSA-N -1 3 360.432 2.279 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000175651196 546328082 /nfs/dbraw/zinc/32/80/82/546328082.db2.gz IHTROHWUZGHLKF-BTELXILVSA-N -1 3 374.484 2.261 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(F)(F)F)c1C ZINC000480963734 561221438 /nfs/dbraw/zinc/22/14/38/561221438.db2.gz XBODYVSDLPWOEU-UHFFFAOYSA-N -1 3 356.322 2.069 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H](C)CC ZINC000481006884 561222666 /nfs/dbraw/zinc/22/26/66/561222666.db2.gz QHQKFSAORICRNX-YGRLFVJLSA-N -1 3 372.443 2.468 20 5 FEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000481073479 561224555 /nfs/dbraw/zinc/22/45/55/561224555.db2.gz PIFBQPBNFDUFAB-UHFFFAOYSA-N -1 3 350.400 2.419 20 5 FEBDHM CC(C)(C)c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000179094970 546898444 /nfs/dbraw/zinc/89/84/44/546898444.db2.gz GSWKMOHODWMHAY-UHFFFAOYSA-N -1 3 356.382 2.174 20 5 FEBDHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2N1 ZINC000482107500 561248446 /nfs/dbraw/zinc/24/84/46/561248446.db2.gz WKGBAZCZZHOZCO-UHFFFAOYSA-N -1 3 365.342 2.419 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000184472265 547832836 /nfs/dbraw/zinc/83/28/36/547832836.db2.gz DBLWUIKEHJPOGX-LBPRGKRZSA-N -1 3 363.395 2.041 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000184762318 547875551 /nfs/dbraw/zinc/87/55/51/547875551.db2.gz RJIGPFCQBCAKNV-MRXNPFEDSA-N -1 3 368.386 2.061 20 5 FEBDHM CN(C)C(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000485370229 561317566 /nfs/dbraw/zinc/31/75/66/561317566.db2.gz LOUUPYNEZKSJHY-UHFFFAOYSA-N -1 3 364.745 2.303 20 5 FEBDHM COc1cccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1[N+](=O)[O-] ZINC000185326331 547971295 /nfs/dbraw/zinc/97/12/95/547971295.db2.gz LHAQVWRTYKMITJ-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000490086191 561426090 /nfs/dbraw/zinc/42/60/90/561426090.db2.gz FRILUFPBQOGLBB-CQSZACIVSA-N -1 3 360.407 2.199 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)cc1C ZINC000268809255 550118564 /nfs/dbraw/zinc/11/85/64/550118564.db2.gz SVQKVTLPKDLIST-LBPRGKRZSA-N -1 3 350.400 2.291 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000269804616 550226753 /nfs/dbraw/zinc/22/67/53/550226753.db2.gz OYDSDMKDRAHWBS-UHFFFAOYSA-N -1 3 364.383 2.367 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000269833522 550229084 /nfs/dbraw/zinc/22/90/84/550229084.db2.gz ZZHNLJIDFGVKRH-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000272412115 550445842 /nfs/dbraw/zinc/44/58/42/550445842.db2.gz CMWYEXPDTKVBTC-MRVPVSSYSA-N -1 3 373.822 2.277 20 5 FEBDHM CCN1CCC(n2nccc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272499302 550453449 /nfs/dbraw/zinc/45/34/49/550453449.db2.gz IDPWRHMFNRADFI-UHFFFAOYSA-N -1 3 359.386 2.406 20 5 FEBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000272572412 550458513 /nfs/dbraw/zinc/45/85/13/550458513.db2.gz QXWNUAIDUGFKPQ-VIFPVBQESA-N -1 3 351.313 2.102 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000273604210 550504949 /nfs/dbraw/zinc/50/49/49/550504949.db2.gz GNZHTQJEADAGBN-GFCCVEGCSA-N -1 3 358.416 2.231 20 5 FEBDHM Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1[C@@H](C)O ZINC000273621323 550505417 /nfs/dbraw/zinc/50/54/17/550505417.db2.gz VUIWCIDGCDXMET-GFCCVEGCSA-N -1 3 365.411 2.138 20 5 FEBDHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000277614706 550692252 /nfs/dbraw/zinc/69/22/52/550692252.db2.gz AYIDPHUNHXFMBH-KCJUWKMLSA-N -1 3 368.333 2.317 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000280397712 550989305 /nfs/dbraw/zinc/98/93/05/550989305.db2.gz AGXTZRKFFZVVKO-QMMMGPOBSA-N -1 3 368.333 2.456 20 5 FEBDHM COC(=O)c1cccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1OC(C)C ZINC000281054984 551058771 /nfs/dbraw/zinc/05/87/71/551058771.db2.gz GYDBSUGADCWSLO-UHFFFAOYSA-N -1 3 362.342 2.154 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)cc1C ZINC000497774468 561508521 /nfs/dbraw/zinc/50/85/21/561508521.db2.gz UZJJALPOLXFMAS-AWEZNQCLSA-N -1 3 372.443 2.076 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1c(C)noc1C ZINC000285467778 551760980 /nfs/dbraw/zinc/76/09/80/551760980.db2.gz NNLPIGQQNPRDAE-UHFFFAOYSA-N -1 3 369.399 2.422 20 5 FEBDHM CCC(=O)c1ccc(N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)c([N+](=O)[O-])c1 ZINC000286536318 551897304 /nfs/dbraw/zinc/89/73/04/551897304.db2.gz YYKPGCXMKCPDAR-XIKOKIGWSA-N -1 3 374.397 2.145 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000288501730 552164921 /nfs/dbraw/zinc/16/49/21/552164921.db2.gz XGYFQJMETPRUGG-LLVKDONJSA-N -1 3 364.379 2.058 20 5 FEBDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])nc21 ZINC000293822881 552859762 /nfs/dbraw/zinc/85/97/62/552859762.db2.gz DHDGZMFBERHQMC-ZETCQYMHSA-N -1 3 365.371 2.010 20 5 FEBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295235686 552973243 /nfs/dbraw/zinc/97/32/43/552973243.db2.gz IWJXCDVAGCPLAR-UHFFFAOYSA-N -1 3 370.349 2.301 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000295299520 552983905 /nfs/dbraw/zinc/98/39/05/552983905.db2.gz OAICZXQLMNTVEO-UHFFFAOYSA-N -1 3 371.806 2.031 20 5 FEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000295587353 553029719 /nfs/dbraw/zinc/02/97/19/553029719.db2.gz WGICWZFFXHWZQG-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM C[C@@]1(C[C@@H]2CCCN2c2nccc3cc([N+](=O)[O-])ccc32)NC(=O)[N-]C1=O ZINC000295644448 553038610 /nfs/dbraw/zinc/03/86/10/553038610.db2.gz FEPORPZHSVHUGG-UGSOOPFHSA-N -1 3 369.381 2.100 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@H](O)C(F)F ZINC000295884300 553071416 /nfs/dbraw/zinc/07/14/16/553071416.db2.gz ZZZAIPWNCYEQSR-CPCISQLKSA-N -1 3 372.777 2.240 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](OC)c1ccccc1 ZINC000298473154 553428826 /nfs/dbraw/zinc/42/88/26/553428826.db2.gz CNDYMHQSDSUFAE-OAHLLOKOSA-N -1 3 366.395 2.269 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000323589946 553770094 /nfs/dbraw/zinc/77/00/94/553770094.db2.gz DMQDDHAZEZKMCX-WDEREUQCSA-N -1 3 362.835 2.325 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000326870631 553784044 /nfs/dbraw/zinc/78/40/44/553784044.db2.gz XNCVHFZXNFJQIQ-SDDRHHMPSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000507508238 561731212 /nfs/dbraw/zinc/73/12/12/561731212.db2.gz XQVPXKLODXOXEQ-UHFFFAOYSA-N -1 3 350.352 2.110 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000507515032 561731418 /nfs/dbraw/zinc/73/14/18/561731418.db2.gz CRRJFQRAFJJKON-ZDUSSCGKSA-N -1 3 353.400 2.077 20 5 FEBDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507549696 561732752 /nfs/dbraw/zinc/73/27/52/561732752.db2.gz ILXFXYGLLADOHR-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485278 554127775 /nfs/dbraw/zinc/12/77/75/554127775.db2.gz ARYCKTHKMACXOH-STQMWFEESA-N -1 3 371.459 2.002 20 5 FEBDHM COc1cc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)ccc1[N+](=O)[O-] ZINC000508768781 561772000 /nfs/dbraw/zinc/77/20/00/561772000.db2.gz HBPPQXJORNFIEX-UHFFFAOYSA-N -1 3 368.342 2.398 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)cc1C ZINC000332142516 554388952 /nfs/dbraw/zinc/38/89/52/554388952.db2.gz MQOYBPFESVVKMJ-OAHLLOKOSA-N -1 3 356.444 2.287 20 5 FEBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000510240895 561829519 /nfs/dbraw/zinc/82/95/19/561829519.db2.gz FLUFFJTYYPQBMP-UHFFFAOYSA-N -1 3 368.349 2.185 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccncc1F ZINC000510621213 561840755 /nfs/dbraw/zinc/84/07/55/561840755.db2.gz FGXHJEOVUAVCDI-SECBINFHSA-N -1 3 355.347 2.177 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000510642495 561841692 /nfs/dbraw/zinc/84/16/92/561841692.db2.gz AYBUPALZPBMKFB-CQSZACIVSA-N -1 3 360.432 2.333 20 5 FEBDHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000351140102 554839261 /nfs/dbraw/zinc/83/92/61/554839261.db2.gz BBYKOEBFNVJCHB-UHFFFAOYSA-N -1 3 354.388 2.173 20 5 FEBDHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000514600725 561968949 /nfs/dbraw/zinc/96/89/49/561968949.db2.gz TWADVLIPFNORRV-PWSUYJOCSA-N -1 3 358.416 2.159 20 5 FEBDHM Cn1cc2c(n1)CCC[C@H]2C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000369860688 556714678 /nfs/dbraw/zinc/71/46/78/556714678.db2.gz CYOBKUZJJDLLKW-CYBMUJFWSA-N -1 3 366.381 2.777 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000371067114 557064545 /nfs/dbraw/zinc/06/45/45/557064545.db2.gz BWGGBSVBQWBDDR-GLQYFDAESA-N -1 3 370.427 2.085 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373595566 557725776 /nfs/dbraw/zinc/72/57/76/557725776.db2.gz KMVJVBJZRRTVIU-LBPRGKRZSA-N -1 3 363.349 2.183 20 5 FEBDHM O=C([N-]C1=NCCS1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000376736779 558215005 /nfs/dbraw/zinc/21/50/05/558215005.db2.gz MVQGZMMSVGRQLD-DZGCQCFKSA-N -1 3 360.439 2.345 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCc2nccn21 ZINC000377783122 558418895 /nfs/dbraw/zinc/41/88/95/558418895.db2.gz QFMMUTYWOUMQFT-AWEZNQCLSA-N -1 3 352.354 2.698 20 5 FEBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000412382858 559032367 /nfs/dbraw/zinc/03/23/67/559032367.db2.gz IBHGJDKCUZAVOO-AWEZNQCLSA-N -1 3 370.409 2.290 20 5 FEBDHM CCOCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416364358 559307574 /nfs/dbraw/zinc/30/75/74/559307574.db2.gz WAHDMDKKVMEQAD-UHFFFAOYSA-N -1 3 356.322 2.319 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000416468273 559315419 /nfs/dbraw/zinc/31/54/19/559315419.db2.gz FFZYAQFVFFYKIW-PSASIEDQSA-N -1 3 368.333 2.053 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000416491785 559317237 /nfs/dbraw/zinc/31/72/37/559317237.db2.gz ZRVLJFAZQIOBQP-UHFFFAOYSA-N -1 3 366.342 2.095 20 5 FEBDHM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000416557658 559321725 /nfs/dbraw/zinc/32/17/25/559321725.db2.gz ZVSFIUSDNMKPDK-NSHDSACASA-N -1 3 366.370 2.188 20 5 FEBDHM CN1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416568361 559322318 /nfs/dbraw/zinc/32/23/18/559322318.db2.gz WXYBAVPKVZBBKV-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)c1[N+](=O)[O-] ZINC000416620072 559325575 /nfs/dbraw/zinc/32/55/75/559325575.db2.gz GNYWXPVPRHLTLA-MFKMUULPSA-N -1 3 364.370 2.039 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)COC(C)C)cc1[N+](=O)[O-] ZINC000416623561 559325826 /nfs/dbraw/zinc/32/58/26/559325826.db2.gz NGAFCOFXLXOZKN-UHFFFAOYSA-N -1 3 364.395 2.224 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)c1cccnc1 ZINC000416632222 559326381 /nfs/dbraw/zinc/32/63/81/559326381.db2.gz MSEWFTSQSSWGPL-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c1[N+](=O)[O-] ZINC000416637357 559326607 /nfs/dbraw/zinc/32/66/07/559326607.db2.gz YBWHPEAPGUMZKB-UHFFFAOYSA-N -1 3 368.440 2.419 20 5 FEBDHM COCC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000417596092 559368717 /nfs/dbraw/zinc/36/87/17/559368717.db2.gz PNJRJUQAWDVBFB-CQSZACIVSA-N -1 3 364.354 2.443 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(Br)c1 ZINC000425232617 559692670 /nfs/dbraw/zinc/69/26/70/559692670.db2.gz FKZCBKZNXJZGDK-AYMMMOKOSA-N -1 3 361.217 2.434 20 5 FEBDHM CN(C(N)=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000427942533 559765852 /nfs/dbraw/zinc/76/58/52/559765852.db2.gz VROAIKRJIWIPFU-UHFFFAOYSA-N -1 3 354.326 2.238 20 5 FEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436754614 559950917 /nfs/dbraw/zinc/95/09/17/559950917.db2.gz IWQDEQPVXOHIED-UHFFFAOYSA-N -1 3 370.365 2.290 20 5 FEBDHM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000440130160 560005189 /nfs/dbraw/zinc/00/51/89/560005189.db2.gz GPXKQEYEKLLCSS-UHFFFAOYSA-N -1 3 370.365 2.396 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000443214357 560074640 /nfs/dbraw/zinc/07/46/40/560074640.db2.gz KLNZESOANCFWJO-ZDUSSCGKSA-N -1 3 364.379 2.275 20 5 FEBDHM COc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c([O-])c1 ZINC000443562344 560087470 /nfs/dbraw/zinc/08/74/70/560087470.db2.gz UDYKGOLVEHBQBY-UHFFFAOYSA-N -1 3 360.322 2.261 20 5 FEBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000443756319 560091888 /nfs/dbraw/zinc/09/18/88/560091888.db2.gz JXGJIEAWOJQQIA-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000443981569 560098270 /nfs/dbraw/zinc/09/82/70/560098270.db2.gz PEPBTTQAWQVUQL-UHFFFAOYSA-N -1 3 361.489 2.365 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000447033398 560155394 /nfs/dbraw/zinc/15/53/94/560155394.db2.gz HMNBTFOWLZYVIG-GFCCVEGCSA-N -1 3 368.333 2.319 20 5 FEBDHM CCCC[C@H](CCC)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000450103048 560250696 /nfs/dbraw/zinc/25/06/96/560250696.db2.gz INIUZTNEJBHADD-ZDUSSCGKSA-N -1 3 371.459 2.348 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)c1[N+](=O)[O-] ZINC000451947010 560339974 /nfs/dbraw/zinc/33/99/74/560339974.db2.gz OECIBYNYKLWOJO-RYUDHWBXSA-N -1 3 350.400 2.392 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000452044863 560347458 /nfs/dbraw/zinc/34/74/58/560347458.db2.gz HSXLMUMBXJMRHR-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CN(C)c1nc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc(=O)[n-]1 ZINC000452833760 560375707 /nfs/dbraw/zinc/37/57/07/560375707.db2.gz BGGBVYLSGKJCHE-ZDUSSCGKSA-N -1 3 371.397 2.176 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C ZINC000461820839 560784979 /nfs/dbraw/zinc/78/49/79/560784979.db2.gz VASPELUKIGQBEO-WDEREUQCSA-N -1 3 356.400 2.096 20 5 FEBDHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000464198500 560835490 /nfs/dbraw/zinc/83/54/90/560835490.db2.gz KKGIYAMTSGJYRC-UHFFFAOYSA-N -1 3 364.379 2.073 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000466720620 560893635 /nfs/dbraw/zinc/89/36/35/560893635.db2.gz RHGLWBBCBGMBLG-ZDUSSCGKSA-N -1 3 370.452 2.155 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000467063677 560902668 /nfs/dbraw/zinc/90/26/68/560902668.db2.gz RVHQBZADCKVTNK-KBPBESRZSA-N -1 3 360.457 2.448 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467071047 560902955 /nfs/dbraw/zinc/90/29/55/560902955.db2.gz RFEPRYJXWDXVSF-LLVKDONJSA-N -1 3 360.388 2.116 20 5 FEBDHM O=C(Nc1cccc(N2CCC2=O)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000468696444 560936416 /nfs/dbraw/zinc/93/64/16/560936416.db2.gz MQQHPBDTLOQFHI-UHFFFAOYSA-N -1 3 351.322 2.460 20 5 FEBDHM CO[C@H](CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC000469304655 560952029 /nfs/dbraw/zinc/95/20/29/560952029.db2.gz QXVVPBFKJSUQLQ-LLVKDONJSA-N -1 3 370.349 2.457 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469510259 560956691 /nfs/dbraw/zinc/95/66/91/560956691.db2.gz JSSUUCXHNOVCBS-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470697487 560987775 /nfs/dbraw/zinc/98/77/75/560987775.db2.gz RGOOJYUCZIQEMH-UHFFFAOYSA-N -1 3 372.312 2.178 20 5 FEBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000477180704 561138637 /nfs/dbraw/zinc/13/86/37/561138637.db2.gz UXHFBAZPOSRBNA-UTUOFQBUSA-N -1 3 370.427 2.469 20 5 FEBDHM C[C@]1(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000531557489 562449774 /nfs/dbraw/zinc/44/97/74/562449774.db2.gz IXJQQIWCCLVONU-QGZVFWFLSA-N -1 3 372.312 2.041 20 5 FEBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000533553213 562512889 /nfs/dbraw/zinc/51/28/89/562512889.db2.gz XQFXZBNWRGKFAW-HNNXBMFYSA-N -1 3 350.396 2.224 20 5 FEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000534755516 562541772 /nfs/dbraw/zinc/54/17/72/562541772.db2.gz RXZGZHXITPWGKO-UHFFFAOYSA-N -1 3 372.381 2.130 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC000534978417 562546651 /nfs/dbraw/zinc/54/66/51/562546651.db2.gz YRZPUNDYJQYTPU-SNVBAGLBSA-N -1 3 353.404 2.184 20 5 FEBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536518790 562577560 /nfs/dbraw/zinc/57/75/60/562577560.db2.gz RFIOVPGQSHOUCZ-UHFFFAOYSA-N -1 3 363.337 2.432 20 5 FEBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536518790 562577561 /nfs/dbraw/zinc/57/75/61/562577561.db2.gz RFIOVPGQSHOUCZ-UHFFFAOYSA-N -1 3 363.337 2.432 20 5 FEBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000569047934 568285490 /nfs/dbraw/zinc/28/54/90/568285490.db2.gz OBHNVAGKSUNOCQ-SNVBAGLBSA-N -1 3 360.395 2.156 20 5 FEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000736041515 598883224 /nfs/dbraw/zinc/88/32/24/598883224.db2.gz XCHYRJIEMKEEPH-NSHDSACASA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000736041515 598883226 /nfs/dbraw/zinc/88/32/26/598883226.db2.gz XCHYRJIEMKEEPH-NSHDSACASA-N -1 3 369.337 2.399 20 5 FEBDHM COc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821720897 599048303 /nfs/dbraw/zinc/04/83/03/599048303.db2.gz ZKORHAJTTIYLIJ-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM O=[N+]([O-])c1ccccc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738368687 598253801 /nfs/dbraw/zinc/25/38/01/598253801.db2.gz IOYHLNMTYCTWEQ-UHFFFAOYSA-N -1 3 365.397 2.097 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737409164 598368396 /nfs/dbraw/zinc/36/83/96/598368396.db2.gz BHSCDXQIMXBCPD-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737409164 598368398 /nfs/dbraw/zinc/36/83/98/598368398.db2.gz BHSCDXQIMXBCPD-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM O=C(Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C1CC1 ZINC000738171547 598498096 /nfs/dbraw/zinc/49/80/96/598498096.db2.gz CBIBCMIDIDTXGL-UHFFFAOYSA-N -1 3 366.341 2.262 20 5 FEBDHM O=C(Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C1CC1 ZINC000738171547 598498098 /nfs/dbraw/zinc/49/80/98/598498098.db2.gz CBIBCMIDIDTXGL-UHFFFAOYSA-N -1 3 366.341 2.262 20 5 FEBDHM Cc1ccc(C)n1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737332408 598500374 /nfs/dbraw/zinc/50/03/74/598500374.db2.gz VKEGLYQHQODPIP-UHFFFAOYSA-N -1 3 368.401 2.430 20 5 FEBDHM Cc1ccc(C)n1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737332408 598500376 /nfs/dbraw/zinc/50/03/76/598500376.db2.gz VKEGLYQHQODPIP-UHFFFAOYSA-N -1 3 368.401 2.430 20 5 FEBDHM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114979 598567971 /nfs/dbraw/zinc/56/79/71/598567971.db2.gz FPMPUNZRFHNEGJ-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114979 598567974 /nfs/dbraw/zinc/56/79/74/598567974.db2.gz FPMPUNZRFHNEGJ-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736823626 598568571 /nfs/dbraw/zinc/56/85/71/598568571.db2.gz YSGLEODOVMBCHV-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736823626 598568573 /nfs/dbraw/zinc/56/85/73/598568573.db2.gz YSGLEODOVMBCHV-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[S@](=O)Cc1ccccc1 ZINC000738358033 598628907 /nfs/dbraw/zinc/62/89/07/598628907.db2.gz JZXTZYKYONOOGM-SANMLTNESA-N -1 3 372.410 2.136 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[S@](=O)Cc1ccccc1 ZINC000738358033 598628909 /nfs/dbraw/zinc/62/89/09/598628909.db2.gz JZXTZYKYONOOGM-SANMLTNESA-N -1 3 372.410 2.136 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738124956 598629936 /nfs/dbraw/zinc/62/99/36/598629936.db2.gz XGVFVDWCYJJENW-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738124956 598629938 /nfs/dbraw/zinc/62/99/38/598629938.db2.gz XGVFVDWCYJJENW-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM COc1ccccc1OCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737152058 598796293 /nfs/dbraw/zinc/79/62/93/598796293.db2.gz LVHGGPYCPFFKLB-UHFFFAOYSA-N -1 3 371.357 2.060 20 5 FEBDHM COc1ccccc1OCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737152058 598796295 /nfs/dbraw/zinc/79/62/95/598796295.db2.gz LVHGGPYCPFFKLB-UHFFFAOYSA-N -1 3 371.357 2.060 20 5 FEBDHM CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000736636888 599304765 /nfs/dbraw/zinc/30/47/65/599304765.db2.gz KUPLHVMZRYFOKD-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000736636888 599304767 /nfs/dbraw/zinc/30/47/67/599304767.db2.gz KUPLHVMZRYFOKD-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508829 599314377 /nfs/dbraw/zinc/31/43/77/599314377.db2.gz OFLTWJLTVZCGII-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508829 599314380 /nfs/dbraw/zinc/31/43/80/599314380.db2.gz OFLTWJLTVZCGII-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CN(CCOc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821604790 599322660 /nfs/dbraw/zinc/32/26/60/599322660.db2.gz GZZWFWDZMFELLJ-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM CN(CCOc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821604790 599322662 /nfs/dbraw/zinc/32/26/62/599322662.db2.gz GZZWFWDZMFELLJ-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000823647532 599482021 /nfs/dbraw/zinc/48/20/21/599482021.db2.gz LPCBKUCFJNYLAX-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000823647532 599482022 /nfs/dbraw/zinc/48/20/22/599482022.db2.gz LPCBKUCFJNYLAX-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM CN(Cc1cscn1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821616865 599495410 /nfs/dbraw/zinc/49/54/10/599495410.db2.gz LHALDOBSBQZLOW-UHFFFAOYSA-N -1 3 368.382 2.416 20 5 FEBDHM CN(Cc1cscn1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821616865 599495412 /nfs/dbraw/zinc/49/54/12/599495412.db2.gz LHALDOBSBQZLOW-UHFFFAOYSA-N -1 3 368.382 2.416 20 5 FEBDHM CC(=O)c1ccc(OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824029611 607538923 /nfs/dbraw/zinc/53/89/23/607538923.db2.gz OODIQAHBADQIGY-UHFFFAOYSA-N -1 3 367.321 2.239 20 5 FEBDHM CC(=O)c1ccc(OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029611 607538924 /nfs/dbraw/zinc/53/89/24/607538924.db2.gz OODIQAHBADQIGY-UHFFFAOYSA-N -1 3 367.321 2.239 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@](C)(CNC(=O)[O-])C(C)C ZINC000740151335 603138995 /nfs/dbraw/zinc/13/89/95/603138995.db2.gz AHRGPYZDAUTRFE-INIZCTEOSA-N -1 3 352.391 2.114 20 5 FEBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824392832 607733033 /nfs/dbraw/zinc/73/30/33/607733033.db2.gz OUYOVTAUMCAARV-GZMMTYOYSA-N -1 3 361.387 2.156 20 5 FEBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824392832 607733034 /nfs/dbraw/zinc/73/30/34/607733034.db2.gz OUYOVTAUMCAARV-GZMMTYOYSA-N -1 3 361.387 2.156 20 5 FEBDHM COCc1cc([N+](=O)[O-])ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821695390 606137443 /nfs/dbraw/zinc/13/74/43/606137443.db2.gz WWHWDFOOEPUCSP-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000823112181 606144435 /nfs/dbraw/zinc/14/44/35/606144435.db2.gz TYLXQBCYALPHQZ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000823112181 606144436 /nfs/dbraw/zinc/14/44/36/606144436.db2.gz TYLXQBCYALPHQZ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820813367 606493252 /nfs/dbraw/zinc/49/32/52/606493252.db2.gz FMDAFAVVTJOJFF-MRVPVSSYSA-N -1 3 356.367 2.428 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820813367 606493253 /nfs/dbraw/zinc/49/32/53/606493253.db2.gz FMDAFAVVTJOJFF-MRVPVSSYSA-N -1 3 356.367 2.428 20 5 FEBDHM Cc1ccn2cc(CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)nc2c1 ZINC000822373981 606645772 /nfs/dbraw/zinc/64/57/72/606645772.db2.gz HCWXJPLRHVJZIS-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1ccn2cc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)nc2c1 ZINC000822373981 606645773 /nfs/dbraw/zinc/64/57/73/606645773.db2.gz HCWXJPLRHVJZIS-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1nc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2n1C ZINC000822458913 606714018 /nfs/dbraw/zinc/71/40/18/606714018.db2.gz ITTHWXSZVXJBCI-UHFFFAOYSA-N -1 3 351.330 2.109 20 5 FEBDHM Cc1nc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2n1C ZINC000822458913 606714019 /nfs/dbraw/zinc/71/40/19/606714019.db2.gz ITTHWXSZVXJBCI-UHFFFAOYSA-N -1 3 351.330 2.109 20 5 FEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440376 606758095 /nfs/dbraw/zinc/75/80/95/606758095.db2.gz QCICJJLKXLAVEN-UHFFFAOYSA-N -1 3 367.293 2.472 20 5 FEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440376 606758097 /nfs/dbraw/zinc/75/80/97/606758097.db2.gz QCICJJLKXLAVEN-UHFFFAOYSA-N -1 3 367.293 2.472 20 5 FEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160727 606799517 /nfs/dbraw/zinc/79/95/17/606799517.db2.gz PIVIGEJJRLRRAD-NSHDSACASA-N -1 3 367.369 2.393 20 5 FEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160727 606799519 /nfs/dbraw/zinc/79/95/19/606799519.db2.gz PIVIGEJJRLRRAD-NSHDSACASA-N -1 3 367.369 2.393 20 5 FEBDHM Cc1nc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822449462 606813022 /nfs/dbraw/zinc/81/30/22/606813022.db2.gz ANVILUUSRJWRJM-UHFFFAOYSA-N -1 3 371.382 2.209 20 5 FEBDHM Cc1nc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449462 606813024 /nfs/dbraw/zinc/81/30/24/606813024.db2.gz ANVILUUSRJWRJM-UHFFFAOYSA-N -1 3 371.382 2.209 20 5 FEBDHM Cc1nc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822449804 606813046 /nfs/dbraw/zinc/81/30/46/606813046.db2.gz PMIBXZGHOMSCKC-TWGQIWQCSA-N -1 3 351.326 2.130 20 5 FEBDHM Cc1nc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822449804 606813047 /nfs/dbraw/zinc/81/30/47/606813047.db2.gz PMIBXZGHOMSCKC-TWGQIWQCSA-N -1 3 351.326 2.130 20 5 FEBDHM C[C@H]1N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCOC1(C)C ZINC000820820696 606877220 /nfs/dbraw/zinc/87/72/20/606877220.db2.gz PKMRKFJOZFVQMH-SNVBAGLBSA-N -1 3 369.385 2.327 20 5 FEBDHM C[C@H]1N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCOC1(C)C ZINC000820820696 606877221 /nfs/dbraw/zinc/87/72/21/606877221.db2.gz PKMRKFJOZFVQMH-SNVBAGLBSA-N -1 3 369.385 2.327 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823040831 607073121 /nfs/dbraw/zinc/07/31/21/607073121.db2.gz PRRPASFQSQZLRX-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823040831 607073122 /nfs/dbraw/zinc/07/31/22/607073122.db2.gz PRRPASFQSQZLRX-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CCCO)Cc1ccccc1 ZINC000823629824 607129636 /nfs/dbraw/zinc/12/96/36/607129636.db2.gz IUCLSPBIGRFROT-UHFFFAOYSA-N -1 3 354.370 2.164 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CCCO)Cc1ccccc1 ZINC000823629824 607129638 /nfs/dbraw/zinc/12/96/38/607129638.db2.gz IUCLSPBIGRFROT-UHFFFAOYSA-N -1 3 354.370 2.164 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640173 607176913 /nfs/dbraw/zinc/17/69/13/607176913.db2.gz WMNPWVRQHJILEV-BONVTDFDSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640173 607176914 /nfs/dbraw/zinc/17/69/14/607176914.db2.gz WMNPWVRQHJILEV-BONVTDFDSA-N -1 3 362.415 2.242 20 5 FEBDHM Cc1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826292242 607863807 /nfs/dbraw/zinc/86/38/07/607863807.db2.gz MPAVCPKMCDPOLD-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826292242 607863808 /nfs/dbraw/zinc/86/38/08/607863808.db2.gz MPAVCPKMCDPOLD-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500855 608052804 /nfs/dbraw/zinc/05/28/04/608052804.db2.gz OWKICVBMBNWLCQ-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500855 608052805 /nfs/dbraw/zinc/05/28/05/608052805.db2.gz OWKICVBMBNWLCQ-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826159038 608375295 /nfs/dbraw/zinc/37/52/95/608375295.db2.gz NUAKCQFUQCZCAM-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826159038 608375296 /nfs/dbraw/zinc/37/52/96/608375296.db2.gz NUAKCQFUQCZCAM-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826269486 609244073 /nfs/dbraw/zinc/24/40/73/609244073.db2.gz NRJLFJGYCQUTRP-LLVKDONJSA-N -1 3 368.353 2.489 20 5 FEBDHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826269486 609244075 /nfs/dbraw/zinc/24/40/75/609244075.db2.gz NRJLFJGYCQUTRP-LLVKDONJSA-N -1 3 368.353 2.489 20 5 FEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825953746 609420671 /nfs/dbraw/zinc/42/06/71/609420671.db2.gz OMTWFAPZVJYTIU-UHFFFAOYSA-N -1 3 361.749 2.029 20 5 FEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825953746 609420674 /nfs/dbraw/zinc/42/06/74/609420674.db2.gz OMTWFAPZVJYTIU-UHFFFAOYSA-N -1 3 361.749 2.029 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCOc2ccccc2-c2nnn[n-]2)n1 ZINC000826263980 609436282 /nfs/dbraw/zinc/43/62/82/609436282.db2.gz XYZBRSALCQAINE-UHFFFAOYSA-N -1 3 356.342 2.245 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCOc2ccccc2-c2nn[n-]n2)n1 ZINC000826263980 609436284 /nfs/dbraw/zinc/43/62/84/609436284.db2.gz XYZBRSALCQAINE-UHFFFAOYSA-N -1 3 356.342 2.245 20 5 FEBDHM Cc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cccc1-c1nnn[n-]1 ZINC000826242494 609452994 /nfs/dbraw/zinc/45/29/94/609452994.db2.gz RJKQLFUVCMFSGS-UHFFFAOYSA-N -1 3 368.309 2.064 20 5 FEBDHM Cc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cccc1-c1nn[n-]n1 ZINC000826242494 609452996 /nfs/dbraw/zinc/45/29/96/609452996.db2.gz RJKQLFUVCMFSGS-UHFFFAOYSA-N -1 3 368.309 2.064 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499366 609603670 /nfs/dbraw/zinc/60/36/70/609603670.db2.gz GCYJRGLVGOABQS-JTQLQIEISA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499366 609603672 /nfs/dbraw/zinc/60/36/72/609603672.db2.gz GCYJRGLVGOABQS-JTQLQIEISA-N -1 3 355.358 2.162 20 5 FEBDHM COCc1cc(Cl)cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000811686879 674620548 /nfs/dbraw/zinc/62/05/48/674620548.db2.gz BOANWSOPFFAOBG-UHFFFAOYSA-N -1 3 372.790 2.095 20 5 FEBDHM C[C@H](O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571333885 670857343 /nfs/dbraw/zinc/85/73/43/670857343.db2.gz QICGAJWJWCVKOA-ZBEGNZNMSA-N -1 3 368.386 2.275 20 5 FEBDHM O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000573786676 671164699 /nfs/dbraw/zinc/16/46/99/671164699.db2.gz OPYAXMFDUYORJH-UHFFFAOYSA-N -1 3 360.717 2.386 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C3CCOCC3)cs2)n1 ZINC000582982192 672051844 /nfs/dbraw/zinc/05/18/44/672051844.db2.gz QJWGIEKERQBEAY-UHFFFAOYSA-N -1 3 351.388 2.414 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000611109978 676018555 /nfs/dbraw/zinc/01/85/55/676018555.db2.gz NKBIAXOLQKBRSL-SECBINFHSA-N -1 3 368.333 2.053 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(F)cc1[N+](=O)[O-] ZINC000590590200 672593254 /nfs/dbraw/zinc/59/32/54/672593254.db2.gz VPSGSRSRNDSEQL-UHFFFAOYSA-N -1 3 368.342 2.250 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)O ZINC000591325503 672669906 /nfs/dbraw/zinc/66/99/06/672669906.db2.gz DNBGAVYXXDRCSC-ZETCQYMHSA-N -1 3 356.322 2.051 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1 ZINC000192740627 672700348 /nfs/dbraw/zinc/70/03/48/672700348.db2.gz CZQKWMBKVGYEHV-CYBMUJFWSA-N -1 3 356.787 2.260 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)nc1 ZINC000593595516 672954034 /nfs/dbraw/zinc/95/40/34/672954034.db2.gz HWCCYZJPQKCGKM-CABCVRRESA-N -1 3 363.395 2.188 20 5 FEBDHM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593606746 672956363 /nfs/dbraw/zinc/95/63/63/672956363.db2.gz XYBSEBULYHIXKW-JTQLQIEISA-N -1 3 369.374 2.047 20 5 FEBDHM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@H]1CCCN1C1CCCCC1 ZINC000594781490 673140379 /nfs/dbraw/zinc/14/03/79/673140379.db2.gz QCICASXMDLCGFV-CQSZACIVSA-N -1 3 368.459 2.065 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000594832509 673155836 /nfs/dbraw/zinc/15/58/36/673155836.db2.gz ZAQFLEZGILHUDK-CQSZACIVSA-N -1 3 366.395 2.269 20 5 FEBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736165641 673513654 /nfs/dbraw/zinc/51/36/54/673513654.db2.gz DHPOCTYBEOJJEM-UHFFFAOYSA-N -1 3 371.352 2.220 20 5 FEBDHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000598734015 673604279 /nfs/dbraw/zinc/60/42/79/673604279.db2.gz DKDGHOZRMPYIOG-LBPRGKRZSA-N -1 3 350.400 2.350 20 5 FEBDHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000543975553 673680655 /nfs/dbraw/zinc/68/06/55/673680655.db2.gz VFSUHJRLZLGZTF-JGVFFNPUSA-N -1 3 356.322 2.051 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c1 ZINC000544630468 673721790 /nfs/dbraw/zinc/72/17/90/673721790.db2.gz KLBZHWYUPWCNLR-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])s1 ZINC000601377640 673851585 /nfs/dbraw/zinc/85/15/85/673851585.db2.gz HHAWLHDDELURHM-MVWJERBFSA-N -1 3 358.441 2.201 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CSC1 ZINC000603385273 673928548 /nfs/dbraw/zinc/92/85/48/673928548.db2.gz QFLFXSHDMYBSDD-UHFFFAOYSA-N -1 3 356.347 2.255 20 5 FEBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2c[nH]nc2Cl)c([N+](=O)[O-])c1 ZINC000830648194 677052168 /nfs/dbraw/zinc/05/21/68/677052168.db2.gz CAVBIHPWNOOVLZ-UHFFFAOYSA-N -1 3 373.822 2.060 20 5 FEBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000750566770 680122765 /nfs/dbraw/zinc/12/27/65/680122765.db2.gz MXQHUKUNDUIREI-UHFFFAOYSA-N -1 3 351.160 2.416 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c(Cl)c1 ZINC000758436627 680579515 /nfs/dbraw/zinc/57/95/15/680579515.db2.gz BUSQTIVZCNDZKH-VIFPVBQESA-N -1 3 368.889 2.375 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCCC3)O2)c(F)c1 ZINC000775729318 681329135 /nfs/dbraw/zinc/32/91/35/681329135.db2.gz QQIFHJPUVZXSKF-GFCCVEGCSA-N -1 3 374.390 2.088 20 5 FEBDHM C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849468034 681751122 /nfs/dbraw/zinc/75/11/22/681751122.db2.gz CCDMYHUWGLBAJH-GFCCVEGCSA-N -1 3 359.423 2.133 20 5 FEBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cncc(Cl)n1 ZINC000790170501 682659453 /nfs/dbraw/zinc/65/94/53/682659453.db2.gz TYUVJLRVJHYJMG-UHFFFAOYSA-N -1 3 350.718 2.452 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(F)(F)F ZINC000857252426 682870098 /nfs/dbraw/zinc/87/00/98/682870098.db2.gz QDYQEXJMFYQEEX-GFCCVEGCSA-N -1 3 370.349 2.457 20 5 FEBDHM CCC(F)(F)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000859323050 683083831 /nfs/dbraw/zinc/08/38/31/683083831.db2.gz QQMBERFZPKEKRV-UHFFFAOYSA-N -1 3 367.330 2.443 20 5 FEBDHM CC(C)OCCO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868493672 684501892 /nfs/dbraw/zinc/50/18/92/684501892.db2.gz VTVZCAJZAUPHAL-UHFFFAOYSA-N -1 3 361.192 2.373 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)c(F)c1 ZINC000549523921 674046487 /nfs/dbraw/zinc/04/64/87/674046487.db2.gz BUTCEHCWYLQHIX-LBPRGKRZSA-N -1 3 360.407 2.201 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000047032688 540286098 /nfs/dbraw/zinc/28/60/98/540286098.db2.gz ALPGRFVNZZJDRP-HNNXBMFYSA-N -1 3 367.402 2.315 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000056013259 540694287 /nfs/dbraw/zinc/69/42/87/540694287.db2.gz ORSPSFDHOIEKTM-UHFFFAOYSA-N -1 3 357.775 2.130 20 5 FEBDHM CCO[N-]C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000057140118 540771893 /nfs/dbraw/zinc/77/18/93/540771893.db2.gz FTFIGERUKNOXLL-UHFFFAOYSA-N -1 3 353.356 2.320 20 5 FEBDHM CC[C@@H](C)n1nc([N-]c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000540491704 541066612 /nfs/dbraw/zinc/06/66/12/541066612.db2.gz LUMHJJFNFAKJDH-SECBINFHSA-N -1 3 353.404 2.462 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000014230579 211087067 /nfs/dbraw/zinc/08/70/67/211087067.db2.gz RHLFPLQKMVTWSH-UHFFFAOYSA-N -1 3 358.379 2.259 20 5 FEBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000079911673 542550157 /nfs/dbraw/zinc/55/01/57/542550157.db2.gz KGCVIFPCXVAXFX-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc12 ZINC000080786892 542608650 /nfs/dbraw/zinc/60/86/50/542608650.db2.gz ASISJFAVFCUIET-UHFFFAOYSA-N -1 3 360.395 2.072 20 5 FEBDHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])OC)c1 ZINC000096390267 542998680 /nfs/dbraw/zinc/99/86/80/542998680.db2.gz IUCNSOFSILLYHF-HNNXBMFYSA-N -1 3 366.395 2.269 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123796461 543783472 /nfs/dbraw/zinc/78/34/72/543783472.db2.gz YLUIBPVBJBUCJQ-LLVKDONJSA-N -1 3 359.473 2.260 20 5 FEBDHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126830714 543958529 /nfs/dbraw/zinc/95/85/29/543958529.db2.gz FKEBFJYYFSQVNL-UHFFFAOYSA-N -1 3 372.834 2.120 20 5 FEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000131270830 544183219 /nfs/dbraw/zinc/18/32/19/544183219.db2.gz HINQGRRLFUBSTC-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000130966507 544172713 /nfs/dbraw/zinc/17/27/13/544172713.db2.gz QARQWLYDQFYZKO-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000130999660 544173713 /nfs/dbraw/zinc/17/37/13/544173713.db2.gz GDOZDWMOOVZRPD-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)[n-]1 ZINC000154667115 544934981 /nfs/dbraw/zinc/93/49/81/544934981.db2.gz GPCTVVUNYKJVIS-UHFFFAOYSA-N -1 3 370.409 2.419 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000186261778 327954237 /nfs/dbraw/zinc/95/42/37/327954237.db2.gz WAFBDBQWKGYOMY-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188214896 328073759 /nfs/dbraw/zinc/07/37/59/328073759.db2.gz DPKCKWJFMBKIEO-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000190051979 328184733 /nfs/dbraw/zinc/18/47/33/328184733.db2.gz DCRSIWDRIQARSM-CJNGLKHVSA-N -1 3 356.444 2.431 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000030518175 324459407 /nfs/dbraw/zinc/45/94/07/324459407.db2.gz XBUAOUKKPCPCHU-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015307 325351542 /nfs/dbraw/zinc/35/15/42/325351542.db2.gz WTFDKJFDJNKUFT-GFCCVEGCSA-N -1 3 353.400 2.125 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000091212704 325380065 /nfs/dbraw/zinc/38/00/65/325380065.db2.gz CZEYUHKTNMZYAB-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM Cc1ccc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000116922585 326042259 /nfs/dbraw/zinc/04/22/59/326042259.db2.gz LVVZIJNPXKELIS-UHFFFAOYSA-N -1 3 367.402 2.110 20 5 FEBDHM Cc1ccc([C@@H](C)NC(=O)c2cnc3c(cnn3C)c2[O-])cc1[N+](=O)[O-] ZINC000119318660 326148720 /nfs/dbraw/zinc/14/87/20/326148720.db2.gz LYGCOBNEIXZNKS-SNVBAGLBSA-N -1 3 355.354 2.382 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c1C ZINC000119324214 326149528 /nfs/dbraw/zinc/14/95/28/326149528.db2.gz YSILLKRHMZSJDR-AWEZNQCLSA-N -1 3 367.427 2.386 20 5 FEBDHM COc1cc(NCC[N-]S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000120010977 326221362 /nfs/dbraw/zinc/22/13/62/326221362.db2.gz CRQCEYAPBYPDPL-UHFFFAOYSA-N -1 3 357.413 2.055 20 5 FEBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000156526033 326834481 /nfs/dbraw/zinc/83/44/81/326834481.db2.gz UNDXYSABQHPGNN-AWEZNQCLSA-N -1 3 350.396 2.169 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000162667935 327031484 /nfs/dbraw/zinc/03/14/84/327031484.db2.gz QWUOOUQLIYWGNW-SECBINFHSA-N -1 3 354.306 2.071 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2)c(C(F)(F)F)c1 ZINC000162677234 327031731 /nfs/dbraw/zinc/03/17/31/327031731.db2.gz GCVLRJJNKPGKIK-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(Cl)c1 ZINC000173965495 327298178 /nfs/dbraw/zinc/29/81/78/327298178.db2.gz SWKOHYCRSDAWFS-UHFFFAOYSA-N -1 3 366.733 2.318 20 5 FEBDHM CCc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000175335998 327387809 /nfs/dbraw/zinc/38/78/09/327387809.db2.gz JGSLIFKPAFEURJ-UHFFFAOYSA-N -1 3 371.393 2.413 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000175403826 327390969 /nfs/dbraw/zinc/39/09/69/327390969.db2.gz AWXVVQMEINOTAS-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178776334 327606399 /nfs/dbraw/zinc/60/63/99/327606399.db2.gz SUCNJPSLMHIRJD-JTQLQIEISA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c1[N+](=O)[O-] ZINC000253352449 328797279 /nfs/dbraw/zinc/79/72/79/328797279.db2.gz OQDGTEFMMBQJCG-MJBXVCDLSA-N -1 3 354.428 2.448 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265536089 329136816 /nfs/dbraw/zinc/13/68/16/329136816.db2.gz OGXGJXNFQMSDOG-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)cc1Br ZINC000266330819 329212335 /nfs/dbraw/zinc/21/23/35/329212335.db2.gz SULDBPOGCBVBIJ-SSDOTTSWSA-N -1 3 367.246 2.141 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000269768785 329547281 /nfs/dbraw/zinc/54/72/81/329547281.db2.gz LZJIVYVCQZYHMU-LBPRGKRZSA-N -1 3 374.802 2.470 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000270538856 329608790 /nfs/dbraw/zinc/60/87/90/329608790.db2.gz WZQIRZHVJGOHMO-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM O=C([N-]CC1N=NC(=S)N1C1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272470046 329783957 /nfs/dbraw/zinc/78/39/57/329783957.db2.gz FMFQWDZZIHYPSG-UHFFFAOYSA-N -1 3 369.353 2.218 20 5 FEBDHM O=C([N-]Cc1nnc2n1CCCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272622290 329798250 /nfs/dbraw/zinc/79/82/50/329798250.db2.gz YOJJTWQSSCTQPU-UHFFFAOYSA-N -1 3 365.340 2.321 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275342074 330037398 /nfs/dbraw/zinc/03/73/98/330037398.db2.gz HSSBPJJXMIDWPA-UHFFFAOYSA-N -1 3 368.393 2.231 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000276295480 330137841 /nfs/dbraw/zinc/13/78/41/330137841.db2.gz BWPJCWFYUSVIPR-UHFFFAOYSA-N -1 3 354.384 2.160 20 5 FEBDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000156546584 545634876 /nfs/dbraw/zinc/63/48/76/545634876.db2.gz YHWZMVZFBXQEDP-OAHLLOKOSA-N -1 3 364.423 2.478 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000158725421 545890436 /nfs/dbraw/zinc/89/04/36/545890436.db2.gz FMONPSFURCNTRV-SECBINFHSA-N -1 3 369.399 2.290 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000163202941 546144149 /nfs/dbraw/zinc/14/41/49/546144149.db2.gz NQAPNAWKOVAIAK-UHFFFAOYSA-N -1 3 359.367 2.489 20 5 FEBDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000479206249 561184563 /nfs/dbraw/zinc/18/45/63/561184563.db2.gz PBMHUDOJEZENSV-VIFPVBQESA-N -1 3 362.379 2.133 20 5 FEBDHM Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000177869614 546700347 /nfs/dbraw/zinc/70/03/47/546700347.db2.gz DLHAZQLSORIVBM-JTQLQIEISA-N -1 3 353.334 2.278 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000481502932 561234456 /nfs/dbraw/zinc/23/44/56/561234456.db2.gz RCTFUNNYJROGHB-NSHDSACASA-N -1 3 360.432 2.069 20 5 FEBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178776345 546847555 /nfs/dbraw/zinc/84/75/55/546847555.db2.gz SUCNJPSLMHIRJD-SNVBAGLBSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)c([N+](=O)[O-])c1 ZINC000481959462 561246338 /nfs/dbraw/zinc/24/63/38/561246338.db2.gz GTPGUVXOTWJMKK-UHFFFAOYSA-N -1 3 372.200 2.283 20 5 FEBDHM C[C@@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000482231555 561250735 /nfs/dbraw/zinc/25/07/35/561250735.db2.gz OERCPXVVDDROOK-ZCFIWIBFSA-N -1 3 361.255 2.291 20 5 FEBDHM C[C@@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000482231555 561250736 /nfs/dbraw/zinc/25/07/36/561250736.db2.gz OERCPXVVDDROOK-ZCFIWIBFSA-N -1 3 361.255 2.291 20 5 FEBDHM C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000482231555 561250737 /nfs/dbraw/zinc/25/07/37/561250737.db2.gz OERCPXVVDDROOK-ZCFIWIBFSA-N -1 3 361.255 2.291 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOCC2)c(C(F)(F)F)c1 ZINC000183386492 547648244 /nfs/dbraw/zinc/64/82/44/547648244.db2.gz RVMBZBHGGRPXIE-VIFPVBQESA-N -1 3 368.333 2.461 20 5 FEBDHM Cn1cnnc1Sc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000485380891 561317898 /nfs/dbraw/zinc/31/78/98/561317898.db2.gz FMLRFDIKRLNBDW-UHFFFAOYSA-N -1 3 372.366 2.227 20 5 FEBDHM CC(C)(O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000186466821 548139329 /nfs/dbraw/zinc/13/93/29/548139329.db2.gz KVIOLNBLRBTIJW-UHFFFAOYSA-N -1 3 350.396 2.301 20 5 FEBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000248562809 549458199 /nfs/dbraw/zinc/45/81/99/549458199.db2.gz OHFJRIUXVSJQMO-KMFMINBZSA-N -1 3 373.409 2.202 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000490541651 561434715 /nfs/dbraw/zinc/43/47/15/561434715.db2.gz YCHOPEWWCFVNKF-UHFFFAOYSA-N -1 3 372.443 2.179 20 5 FEBDHM C[C@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494039914 561461303 /nfs/dbraw/zinc/46/13/03/561461303.db2.gz VZWHJVJZYUAASD-WFASDCNBSA-N -1 3 356.382 2.088 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H]1CCO[C@@H](C)C1 ZINC000273580627 550504095 /nfs/dbraw/zinc/50/40/95/550504095.db2.gz PGGZVDBKDLDCQS-NWDGAFQWSA-N -1 3 358.416 2.087 20 5 FEBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277002894 550620674 /nfs/dbraw/zinc/62/06/74/550620674.db2.gz UOPKWEBVLSTTFK-NXEZZACHSA-N -1 3 353.404 2.266 20 5 FEBDHM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000279113408 550855248 /nfs/dbraw/zinc/85/52/48/550855248.db2.gz KZGFBJFEECFWGF-ZDUSSCGKSA-N -1 3 356.342 2.308 20 5 FEBDHM O=c1nc(C2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)[nH][n-]1 ZINC000280721383 551025034 /nfs/dbraw/zinc/02/50/34/551025034.db2.gz CFJZLLGFKCRYHV-UHFFFAOYSA-N -1 3 370.369 2.041 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c1[N+](=O)[O-] ZINC000287507584 552013396 /nfs/dbraw/zinc/01/33/96/552013396.db2.gz SFEMCILEIVHNNF-UHFFFAOYSA-N -1 3 372.353 2.418 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000288432651 552152620 /nfs/dbraw/zinc/15/26/20/552152620.db2.gz PPAVGVQTRDAEOF-LLVKDONJSA-N -1 3 364.379 2.058 20 5 FEBDHM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cs1 ZINC000290189528 552440192 /nfs/dbraw/zinc/44/01/92/552440192.db2.gz RUICUIKOTNKAGR-UHFFFAOYSA-N -1 3 371.440 2.293 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290204332 552442153 /nfs/dbraw/zinc/44/21/53/552442153.db2.gz NDXFUUXFEDDMEB-YOEHRIQHSA-N -1 3 362.407 2.039 20 5 FEBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000291631561 552645805 /nfs/dbraw/zinc/64/58/05/552645805.db2.gz DJEXHSJLKHACJZ-UHFFFAOYSA-N -1 3 353.400 2.463 20 5 FEBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000293037604 552782899 /nfs/dbraw/zinc/78/28/99/552782899.db2.gz JMXOWALWOKNNLQ-HNNXBMFYSA-N -1 3 365.411 2.028 20 5 FEBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000295237032 552973794 /nfs/dbraw/zinc/97/37/94/552973794.db2.gz DELNOIYZEUWXSD-GFCCVEGCSA-N -1 3 352.416 2.468 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000502446527 561618805 /nfs/dbraw/zinc/61/88/05/561618805.db2.gz YOBFKOACBISBHO-LLVKDONJSA-N -1 3 352.416 2.468 20 5 FEBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297190718 553261454 /nfs/dbraw/zinc/26/14/54/553261454.db2.gz UHDIBXLGVPBLGV-QMMMGPOBSA-N -1 3 358.807 2.330 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000298342137 553414324 /nfs/dbraw/zinc/41/43/24/553414324.db2.gz QUJYKNFTRXXLGQ-UHFFFAOYSA-N -1 3 367.383 2.307 20 5 FEBDHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298427577 553423629 /nfs/dbraw/zinc/42/36/29/553423629.db2.gz MJUHHPAZUBIMSP-UHFFFAOYSA-N -1 3 358.354 2.093 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000326427487 553780571 /nfs/dbraw/zinc/78/05/71/553780571.db2.gz NZTPEMDNJRSKEW-SNVBAGLBSA-N -1 3 356.400 2.238 20 5 FEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(CC(=O)OC)cs1 ZINC000327442453 553789241 /nfs/dbraw/zinc/78/92/41/553789241.db2.gz GZDATUGQYGICPP-UHFFFAOYSA-N -1 3 365.367 2.418 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000327927421 553791985 /nfs/dbraw/zinc/79/19/85/553791985.db2.gz BRNPDFRPMDAHSB-LLVKDONJSA-N -1 3 364.379 2.421 20 5 FEBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507457343 561729966 /nfs/dbraw/zinc/72/99/66/561729966.db2.gz UBUQAMWWCXRSNH-UHFFFAOYSA-N -1 3 363.395 2.340 20 5 FEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)Cc2n[n-]c(-c3cccs3)n2)c1 ZINC000509134264 561786193 /nfs/dbraw/zinc/78/61/93/561786193.db2.gz BJWKZGIMVVICSA-UHFFFAOYSA-N -1 3 350.381 2.415 20 5 FEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)Cc2nnc(-c3cccs3)[n-]2)c1 ZINC000509134264 561786194 /nfs/dbraw/zinc/78/61/94/561786194.db2.gz BJWKZGIMVVICSA-UHFFFAOYSA-N -1 3 350.381 2.415 20 5 FEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)c1 ZINC000509134264 561786195 /nfs/dbraw/zinc/78/61/95/561786195.db2.gz BJWKZGIMVVICSA-UHFFFAOYSA-N -1 3 350.381 2.415 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000509760307 561812924 /nfs/dbraw/zinc/81/29/24/561812924.db2.gz FXZXYGXFOUQSDP-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000509809232 561814845 /nfs/dbraw/zinc/81/48/45/561814845.db2.gz VQVWKLONQBJWOC-UHFFFAOYSA-N -1 3 369.443 2.021 20 5 FEBDHM COc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1[O-] ZINC000509863949 561816474 /nfs/dbraw/zinc/81/64/74/561816474.db2.gz MFNVJBIKDATUSP-GFCCVEGCSA-N -1 3 358.354 2.031 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000362664667 554979156 /nfs/dbraw/zinc/97/91/56/554979156.db2.gz KIXOXVXOIKMJDC-UHFFFAOYSA-N -1 3 359.367 2.489 20 5 FEBDHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366020756 555729675 /nfs/dbraw/zinc/72/96/75/555729675.db2.gz DURNNDVVNIYHSA-BBRMVZONSA-N -1 3 363.414 2.443 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000516566510 562048448 /nfs/dbraw/zinc/04/84/48/562048448.db2.gz BYWJPUVYBGRIHQ-BDAKNGLRSA-N -1 3 350.343 2.302 20 5 FEBDHM Cc1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371136978 557085685 /nfs/dbraw/zinc/08/56/85/557085685.db2.gz FURYWHCHHPQSNV-UHFFFAOYSA-N -1 3 364.427 2.223 20 5 FEBDHM COC(=O)C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000373106950 557630069 /nfs/dbraw/zinc/63/00/69/557630069.db2.gz OCRPXYMTYICVAO-NSHDSACASA-N -1 3 357.322 2.003 20 5 FEBDHM Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375677740 558066368 /nfs/dbraw/zinc/06/63/68/558066368.db2.gz ZOXZLBDVXPJOMH-TZMCWYRMSA-N -1 3 361.329 2.091 20 5 FEBDHM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000392379280 558617371 /nfs/dbraw/zinc/61/73/71/558617371.db2.gz KNKMZQFSBFVOMI-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM CC(C)Oc1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)ccc1[N+](=O)[O-] ZINC000412253289 559022768 /nfs/dbraw/zinc/02/27/68/559022768.db2.gz CVGHXYNRRGQDRN-UHFFFAOYSA-N -1 3 370.312 2.969 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000416451112 559313689 /nfs/dbraw/zinc/31/36/89/559313689.db2.gz AVGJIPWSWKVWHK-SECBINFHSA-N -1 3 368.333 2.319 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCOC1 ZINC000416454843 559314086 /nfs/dbraw/zinc/31/40/86/559314086.db2.gz SURKKODPZFTORX-GFCCVEGCSA-N -1 3 368.333 2.461 20 5 FEBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416469875 559315536 /nfs/dbraw/zinc/31/55/36/559315536.db2.gz KWHXGWXFABWSTN-ZJUUUORDSA-N -1 3 368.333 2.459 20 5 FEBDHM COCc1nc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000416484121 559316638 /nfs/dbraw/zinc/31/66/38/559316638.db2.gz QOHHBFKZTDSSMW-UHFFFAOYSA-N -1 3 371.440 2.293 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)c1cccnc1 ZINC000416632303 559326434 /nfs/dbraw/zinc/32/64/34/559326434.db2.gz MXMGLXATQXFFTB-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM Cc1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426726331 559740950 /nfs/dbraw/zinc/74/09/50/559740950.db2.gz IWHDHSNSRYOTKA-LLVKDONJSA-N -1 3 372.303 2.362 20 5 FEBDHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000427985082 559766962 /nfs/dbraw/zinc/76/69/62/559766962.db2.gz RUTWYKNJTWSJLJ-UHFFFAOYSA-N -1 3 359.342 2.398 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428546127 559777839 /nfs/dbraw/zinc/77/78/39/559777839.db2.gz WOMULAXZUJASJZ-INIZCTEOSA-N -1 3 357.366 2.119 20 5 FEBDHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000429640917 559802759 /nfs/dbraw/zinc/80/27/59/559802759.db2.gz PXVBGTOMFZXPGX-QMMMGPOBSA-N -1 3 355.301 2.812 20 5 FEBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N(C)CC(F)(F)F ZINC000431782528 559845874 /nfs/dbraw/zinc/84/58/74/559845874.db2.gz GBBLAZACQLSSBU-VIFPVBQESA-N -1 3 371.319 2.806 20 5 FEBDHM Cc1cc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1[N+](=O)[O-] ZINC000435580942 559925511 /nfs/dbraw/zinc/92/55/11/559925511.db2.gz SPBNAYBYBMSSJL-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1[N+](=O)[O-] ZINC000435580942 559925512 /nfs/dbraw/zinc/92/55/12/559925512.db2.gz SPBNAYBYBMSSJL-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000435580942 559925513 /nfs/dbraw/zinc/92/55/13/559925513.db2.gz SPBNAYBYBMSSJL-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM COc1cccc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1[N+](=O)[O-] ZINC000435635302 559927015 /nfs/dbraw/zinc/92/70/15/559927015.db2.gz JAYXSMASNPNNLQ-UHFFFAOYSA-N -1 3 368.342 2.398 20 5 FEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436766070 559951200 /nfs/dbraw/zinc/95/12/00/559951200.db2.gz ZMOQUSQFDFQMOX-UHFFFAOYSA-N -1 3 370.365 2.290 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000436768355 559951378 /nfs/dbraw/zinc/95/13/78/559951378.db2.gz IXPBJRGSMDHFJH-UHFFFAOYSA-N -1 3 362.338 2.256 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000443214356 560074746 /nfs/dbraw/zinc/07/47/46/560074746.db2.gz KLNZESOANCFWJO-CYBMUJFWSA-N -1 3 364.379 2.275 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000443310324 560079106 /nfs/dbraw/zinc/07/91/06/560079106.db2.gz UPVYXNRNTPQCHT-CQSZACIVSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c([O-])c1 ZINC000443563326 560087539 /nfs/dbraw/zinc/08/75/39/560087539.db2.gz WUWRIGDIBJYNKE-UHFFFAOYSA-N -1 3 355.310 2.142 20 5 FEBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3cccc(F)c3F)nc2c1 ZINC000443988542 560098479 /nfs/dbraw/zinc/09/84/79/560098479.db2.gz PDUCLRRQNMLHAY-UHFFFAOYSA-N -1 3 368.321 2.228 20 5 FEBDHM COC(=O)C(C)(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445012268 560126514 /nfs/dbraw/zinc/12/65/14/560126514.db2.gz XVXRYXSBLAOJIL-UHFFFAOYSA-N -1 3 359.338 2.398 20 5 FEBDHM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000445140348 560129617 /nfs/dbraw/zinc/12/96/17/560129617.db2.gz SHJTVCAUXUMWGL-KBPBESRZSA-N -1 3 370.409 2.430 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000451807627 560329906 /nfs/dbraw/zinc/32/99/06/560329906.db2.gz YZSPOHBKPDFDPZ-LBPRGKRZSA-N -1 3 370.427 2.231 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000451823615 560330901 /nfs/dbraw/zinc/33/09/01/560330901.db2.gz NWTHQNQDUVLTER-SECBINFHSA-N -1 3 350.343 2.317 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000451824524 560331019 /nfs/dbraw/zinc/33/10/19/560331019.db2.gz PEAQATYPVDPHTR-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000451862804 560333110 /nfs/dbraw/zinc/33/31/10/560333110.db2.gz VQUNQVRPGFHEJZ-GJZGRUSLSA-N -1 3 368.455 2.287 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)O ZINC000451889137 560334878 /nfs/dbraw/zinc/33/48/78/560334878.db2.gz JZVHGDMUTDVHRD-XVKPBYJWSA-N -1 3 356.322 2.051 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c(F)c1 ZINC000461794453 560784042 /nfs/dbraw/zinc/78/40/42/560784042.db2.gz GFMGWRHUKMZLJQ-GFCCVEGCSA-N -1 3 360.407 2.201 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000461797404 560784225 /nfs/dbraw/zinc/78/42/25/560784225.db2.gz RCRQVVVAJMYCQE-CQSZACIVSA-N -1 3 356.444 2.370 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466554120 560889810 /nfs/dbraw/zinc/88/98/10/560889810.db2.gz ZKVGZEWOOKJYLS-LBPRGKRZSA-N -1 3 368.342 2.155 20 5 FEBDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC2 ZINC000467044701 560902392 /nfs/dbraw/zinc/90/23/92/560902392.db2.gz JRDFDNTYGSRYSO-LLVKDONJSA-N -1 3 370.456 2.326 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1O ZINC000533093586 562498157 /nfs/dbraw/zinc/49/81/57/562498157.db2.gz FPCYAALGLAVPMW-UHFFFAOYSA-N -1 3 352.368 2.096 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000533632017 562514793 /nfs/dbraw/zinc/51/47/93/562514793.db2.gz UZMCJRQRNZQDLI-UHFFFAOYSA-N -1 3 356.791 2.034 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533819644 562519036 /nfs/dbraw/zinc/51/90/36/562519036.db2.gz OQJSQOXAKFPZIL-OAHLLOKOSA-N -1 3 361.423 2.368 20 5 FEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822109596 607321387 /nfs/dbraw/zinc/32/13/87/607321387.db2.gz SBOYLKWYYBKWRT-UHFFFAOYSA-N -1 3 369.297 2.244 20 5 FEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822109596 607321388 /nfs/dbraw/zinc/32/13/88/607321388.db2.gz SBOYLKWYYBKWRT-UHFFFAOYSA-N -1 3 369.297 2.244 20 5 FEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820548944 607355947 /nfs/dbraw/zinc/35/59/47/607355947.db2.gz JBCRIDPYWAUTCI-VIFPVBQESA-N -1 3 373.300 2.287 20 5 FEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820548944 607355949 /nfs/dbraw/zinc/35/59/49/607355949.db2.gz JBCRIDPYWAUTCI-VIFPVBQESA-N -1 3 373.300 2.287 20 5 FEBDHM C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155771 598487528 /nfs/dbraw/zinc/48/75/28/598487528.db2.gz QMJMFZMGGSXTGY-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155771 598487529 /nfs/dbraw/zinc/48/75/29/598487529.db2.gz QMJMFZMGGSXTGY-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM COC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736939688 598499463 /nfs/dbraw/zinc/49/94/63/598499463.db2.gz KQMUDXTZQIQUBN-UHFFFAOYSA-N -1 3 356.302 2.092 20 5 FEBDHM COC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736939688 598499465 /nfs/dbraw/zinc/49/94/65/598499465.db2.gz KQMUDXTZQIQUBN-UHFFFAOYSA-N -1 3 356.302 2.092 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737026631 598568798 /nfs/dbraw/zinc/56/87/98/598568798.db2.gz YYXOARBSSASSNJ-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737026631 598568799 /nfs/dbraw/zinc/56/87/99/598568799.db2.gz YYXOARBSSASSNJ-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COC(=O)Cc1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736931300 598580060 /nfs/dbraw/zinc/58/00/60/598580060.db2.gz UKGJLLHFWZRIHX-UHFFFAOYSA-N -1 3 355.310 2.283 20 5 FEBDHM COC(=O)Cc1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736931300 598580062 /nfs/dbraw/zinc/58/00/62/598580062.db2.gz UKGJLLHFWZRIHX-UHFFFAOYSA-N -1 3 355.310 2.283 20 5 FEBDHM CNc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736887762 598701931 /nfs/dbraw/zinc/70/19/31/598701931.db2.gz QEQPPYGMLQJDOA-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM CNc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736887762 598701933 /nfs/dbraw/zinc/70/19/33/598701933.db2.gz QEQPPYGMLQJDOA-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000736137228 598747183 /nfs/dbraw/zinc/74/71/83/598747183.db2.gz IZPDARQKHZGPKB-JTQLQIEISA-N -1 3 353.342 2.214 20 5 FEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000736137228 598747185 /nfs/dbraw/zinc/74/71/85/598747185.db2.gz IZPDARQKHZGPKB-JTQLQIEISA-N -1 3 353.342 2.214 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000808341371 674454451 /nfs/dbraw/zinc/45/44/51/674454451.db2.gz WFYVYOOBPGOMKB-BONVTDFDSA-N -1 3 354.359 2.134 20 5 FEBDHM CC(=O)Nc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735485893 598756536 /nfs/dbraw/zinc/75/65/36/598756536.db2.gz XRSDGVDBDMCLTB-UHFFFAOYSA-N -1 3 367.369 2.388 20 5 FEBDHM CC(=O)Nc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735485893 598756538 /nfs/dbraw/zinc/75/65/38/598756538.db2.gz XRSDGVDBDMCLTB-UHFFFAOYSA-N -1 3 367.369 2.388 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000823650792 599408587 /nfs/dbraw/zinc/40/85/87/599408587.db2.gz AUPLPLUMABMQIY-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000823650792 599408591 /nfs/dbraw/zinc/40/85/91/599408591.db2.gz AUPLPLUMABMQIY-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM Cc1nccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822471400 599488749 /nfs/dbraw/zinc/48/87/49/599488749.db2.gz AQDLQLSEHWKLCB-UHFFFAOYSA-N -1 3 363.341 2.034 20 5 FEBDHM Cc1nccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822471400 599488751 /nfs/dbraw/zinc/48/87/51/599488751.db2.gz AQDLQLSEHWKLCB-UHFFFAOYSA-N -1 3 363.341 2.034 20 5 FEBDHM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333468 599522077 /nfs/dbraw/zinc/52/20/77/599522077.db2.gz CTIRAPNMGNOTQG-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333468 599522080 /nfs/dbraw/zinc/52/20/80/599522080.db2.gz CTIRAPNMGNOTQG-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](O)C[C@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820473584 599568323 /nfs/dbraw/zinc/56/83/23/599568323.db2.gz HDCDOVUTWGNNHV-UWVGGRQHSA-N -1 3 357.374 2.142 20 5 FEBDHM C[C@H](O)C[C@H](C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820473584 599568326 /nfs/dbraw/zinc/56/83/26/599568326.db2.gz HDCDOVUTWGNNHV-UWVGGRQHSA-N -1 3 357.374 2.142 20 5 FEBDHM O=C([O-])c1cccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000740231257 600565542 /nfs/dbraw/zinc/56/55/42/600565542.db2.gz JMTQNMADZMFSPW-AWEZNQCLSA-N -1 3 372.381 2.253 20 5 FEBDHM CN(Cc1ccnc(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825986345 607516871 /nfs/dbraw/zinc/51/68/71/607516871.db2.gz ZNGBWDWWZXXNOC-UHFFFAOYSA-N -1 3 359.777 2.455 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC000826201559 607581835 /nfs/dbraw/zinc/58/18/35/607581835.db2.gz WWARZZZVGCPXJC-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nn[n-]n1 ZINC000826201559 607581836 /nfs/dbraw/zinc/58/18/36/607581836.db2.gz WWARZZZVGCPXJC-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C ZINC000809821052 674512929 /nfs/dbraw/zinc/51/29/29/674512929.db2.gz HHFQCVBJYICEOP-DTWKUNHWSA-N -1 3 365.814 2.148 20 5 FEBDHM Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809831773 674514237 /nfs/dbraw/zinc/51/42/37/674514237.db2.gz INDWAUNPQBWXNS-UHFFFAOYSA-N -1 3 359.766 2.448 20 5 FEBDHM COc1ccc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205625 607607532 /nfs/dbraw/zinc/60/75/32/607607532.db2.gz DGOKQEOCCRPCDC-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205625 607607533 /nfs/dbraw/zinc/60/75/33/607607533.db2.gz DGOKQEOCCRPCDC-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809861193 674518041 /nfs/dbraw/zinc/51/80/41/674518041.db2.gz SJMDHGWDRCRRNL-VIFPVBQESA-N -1 3 367.830 2.394 20 5 FEBDHM Cc1nn(CN(C2CC2)C2CCN(C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12 ZINC000830870666 603912125 /nfs/dbraw/zinc/91/21/25/603912125.db2.gz LUEYAUBMKIDAPA-UHFFFAOYSA-N -1 3 374.401 2.212 20 5 FEBDHM O=C([O-])/C=C\c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000833196185 604627475 /nfs/dbraw/zinc/62/74/75/604627475.db2.gz NWMZOJXOYRLLSG-NSRYLSIASA-N -1 3 361.398 2.358 20 5 FEBDHM Cc1cc(-n2cc([N+](=O)[O-])cn2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822154021 606174422 /nfs/dbraw/zinc/17/44/22/606174422.db2.gz SRNSGRBTVRQXLJ-UHFFFAOYSA-N -1 3 361.325 2.070 20 5 FEBDHM Cc1cc(-n2cc([N+](=O)[O-])cn2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822154021 606174423 /nfs/dbraw/zinc/17/44/23/606174423.db2.gz SRNSGRBTVRQXLJ-UHFFFAOYSA-N -1 3 361.325 2.070 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822969646 606269063 /nfs/dbraw/zinc/26/90/63/606269063.db2.gz VGKHNGXDZGZZSP-UHFFFAOYSA-N -1 3 371.332 2.355 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822969646 606269065 /nfs/dbraw/zinc/26/90/65/606269065.db2.gz VGKHNGXDZGZZSP-UHFFFAOYSA-N -1 3 371.332 2.355 20 5 FEBDHM CCOC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821343264 606428913 /nfs/dbraw/zinc/42/89/13/606428913.db2.gz MROHGQCDJHENIP-UHFFFAOYSA-N -1 3 358.314 2.157 20 5 FEBDHM CCOC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821343264 606428916 /nfs/dbraw/zinc/42/89/16/606428916.db2.gz MROHGQCDJHENIP-UHFFFAOYSA-N -1 3 358.314 2.157 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820813368 606493150 /nfs/dbraw/zinc/49/31/50/606493150.db2.gz FMDAFAVVTJOJFF-QMMMGPOBSA-N -1 3 356.367 2.428 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820813368 606493152 /nfs/dbraw/zinc/49/31/52/606493152.db2.gz FMDAFAVVTJOJFF-QMMMGPOBSA-N -1 3 356.367 2.428 20 5 FEBDHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000820921094 606588571 /nfs/dbraw/zinc/58/85/71/606588571.db2.gz VUBNCLLDUAJFSZ-ZDUSSCGKSA-N -1 3 353.342 2.051 20 5 FEBDHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000820921094 606588572 /nfs/dbraw/zinc/58/85/72/606588572.db2.gz VUBNCLLDUAJFSZ-ZDUSSCGKSA-N -1 3 353.342 2.051 20 5 FEBDHM COC(=O)c1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821668625 606644821 /nfs/dbraw/zinc/64/48/21/606644821.db2.gz BAKRGEGSUFVVNO-UHFFFAOYSA-N -1 3 368.353 2.198 20 5 FEBDHM Cc1nc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822449803 606813052 /nfs/dbraw/zinc/81/30/52/606813052.db2.gz PMIBXZGHOMSCKC-RMKNXTFCSA-N -1 3 351.326 2.130 20 5 FEBDHM Cc1nc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822449803 606813053 /nfs/dbraw/zinc/81/30/53/606813053.db2.gz PMIBXZGHOMSCKC-RMKNXTFCSA-N -1 3 351.326 2.130 20 5 FEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000822978628 606824412 /nfs/dbraw/zinc/82/44/12/606824412.db2.gz OKWVSXMDINNBLJ-UHFFFAOYSA-N -1 3 367.365 2.493 20 5 FEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000822978628 606824414 /nfs/dbraw/zinc/82/44/14/606824414.db2.gz OKWVSXMDINNBLJ-UHFFFAOYSA-N -1 3 367.365 2.493 20 5 FEBDHM Cc1nn(C)cc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822496709 607048235 /nfs/dbraw/zinc/04/82/35/607048235.db2.gz SXBSPJNWORVEHY-CQSZACIVSA-N -1 3 354.374 2.158 20 5 FEBDHM Cc1nn(C)cc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822496709 607048237 /nfs/dbraw/zinc/04/82/37/607048237.db2.gz SXBSPJNWORVEHY-CQSZACIVSA-N -1 3 354.374 2.158 20 5 FEBDHM CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377223 607796637 /nfs/dbraw/zinc/79/66/37/607796637.db2.gz XKEBNTPYIYJQLF-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377223 607796638 /nfs/dbraw/zinc/79/66/38/607796638.db2.gz XKEBNTPYIYJQLF-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826499712 607968412 /nfs/dbraw/zinc/96/84/12/607968412.db2.gz UFYQQLMZHMZREU-UHFFFAOYSA-N -1 3 355.314 2.338 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826499712 607968413 /nfs/dbraw/zinc/96/84/13/607968413.db2.gz UFYQQLMZHMZREU-UHFFFAOYSA-N -1 3 355.314 2.338 20 5 FEBDHM C[C@H](OCC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824728683 608163221 /nfs/dbraw/zinc/16/32/21/608163221.db2.gz GPPWLAFIBDPEII-ZETCQYMHSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@H](OCC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824728683 608163222 /nfs/dbraw/zinc/16/32/22/608163222.db2.gz GPPWLAFIBDPEII-ZETCQYMHSA-N -1 3 366.765 2.182 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826273144 608337008 /nfs/dbraw/zinc/33/70/08/608337008.db2.gz RGIJCVUOYWXJOJ-UHFFFAOYSA-N -1 3 364.365 2.215 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826273144 608337011 /nfs/dbraw/zinc/33/70/11/608337011.db2.gz RGIJCVUOYWXJOJ-UHFFFAOYSA-N -1 3 364.365 2.215 20 5 FEBDHM COc1ccc2c(c1)OC[C@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000826213437 608440793 /nfs/dbraw/zinc/44/07/93/608440793.db2.gz WVDTVRGAHCADFV-GFCCVEGCSA-N -1 3 368.353 2.199 20 5 FEBDHM COc1ccc2c(c1)OC[C@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000826213437 608440795 /nfs/dbraw/zinc/44/07/95/608440795.db2.gz WVDTVRGAHCADFV-GFCCVEGCSA-N -1 3 368.353 2.199 20 5 FEBDHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480081 608567915 /nfs/dbraw/zinc/56/79/15/608567915.db2.gz SNQYVIVNGLNWHL-LLVKDONJSA-N -1 3 367.369 2.064 20 5 FEBDHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000826460136 608571203 /nfs/dbraw/zinc/57/12/03/608571203.db2.gz OITFIDUODHTLPJ-UHFFFAOYSA-N -1 3 365.353 2.301 20 5 FEBDHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000826460136 608571205 /nfs/dbraw/zinc/57/12/05/608571205.db2.gz OITFIDUODHTLPJ-UHFFFAOYSA-N -1 3 365.353 2.301 20 5 FEBDHM COc1cc(COC(=O)c2sccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826179950 609467180 /nfs/dbraw/zinc/46/71/80/609467180.db2.gz MEESSXVTLKEUSN-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COCC[C@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826154296 609588050 /nfs/dbraw/zinc/58/80/50/609588050.db2.gz MCESPYCLGRCDKQ-LLVKDONJSA-N -1 3 358.358 2.428 20 5 FEBDHM COCC[C@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826154296 609588054 /nfs/dbraw/zinc/58/80/54/609588054.db2.gz MCESPYCLGRCDKQ-LLVKDONJSA-N -1 3 358.358 2.428 20 5 FEBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000826465160 609617534 /nfs/dbraw/zinc/61/75/34/609617534.db2.gz AVUVQNLKWPEABB-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC000826465160 609617536 /nfs/dbraw/zinc/61/75/36/609617536.db2.gz AVUVQNLKWPEABB-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM CCN(CC)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814972507 674891040 /nfs/dbraw/zinc/89/10/40/674891040.db2.gz IGOMNEUDRRDRLA-UHFFFAOYSA-N -1 3 353.803 2.007 20 5 FEBDHM CN(C)CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815041744 674905894 /nfs/dbraw/zinc/90/58/94/674905894.db2.gz SCGISUIXAKVEBA-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM COCc1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cs1 ZINC000571651508 670906880 /nfs/dbraw/zinc/90/68/80/670906880.db2.gz BKKYUDIMDZJXHN-UHFFFAOYSA-N -1 3 371.440 2.293 20 5 FEBDHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000573551555 671136066 /nfs/dbraw/zinc/13/60/66/671136066.db2.gz XTOJVSDAGIYBAI-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(F)c1 ZINC000580178955 671788176 /nfs/dbraw/zinc/78/81/76/671788176.db2.gz XWRRMBQZWWTJNR-JTQLQIEISA-N -1 3 352.343 2.188 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC000610266124 675962900 /nfs/dbraw/zinc/96/29/00/675962900.db2.gz ZWFIFICXCMKUKL-GDLCADMTSA-N -1 3 358.391 2.216 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000610590807 675983434 /nfs/dbraw/zinc/98/34/34/675983434.db2.gz XIDOBTYZKQZUHG-UHFFFAOYSA-N -1 3 368.367 2.151 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000153947923 672207491 /nfs/dbraw/zinc/20/74/91/672207491.db2.gz XCTZTEKKOAZBCU-OAHLLOKOSA-N -1 3 372.349 2.059 20 5 FEBDHM C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862755 672486656 /nfs/dbraw/zinc/48/66/56/672486656.db2.gz SLLWWJPOSRTRFR-DTWKUNHWSA-N -1 3 364.383 2.150 20 5 FEBDHM CCN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593527408 672933897 /nfs/dbraw/zinc/93/38/97/672933897.db2.gz UHSJRCJRRUFWAE-UHFFFAOYSA-N -1 3 364.427 2.185 20 5 FEBDHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593554418 672941714 /nfs/dbraw/zinc/94/17/14/672941714.db2.gz CQYVGPPZDTYAIH-GFCCVEGCSA-N -1 3 351.384 2.044 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)nc1 ZINC000593574026 672948075 /nfs/dbraw/zinc/94/80/75/672948075.db2.gz XEROVXQRIHTEJY-CYBMUJFWSA-N -1 3 367.358 2.321 20 5 FEBDHM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593606748 672956540 /nfs/dbraw/zinc/95/65/40/672956540.db2.gz XYBSEBULYHIXKW-SNVBAGLBSA-N -1 3 369.374 2.047 20 5 FEBDHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594818966 673152077 /nfs/dbraw/zinc/15/20/77/673152077.db2.gz WSNHIQRTIKCNDH-UHFFFAOYSA-N -1 3 372.424 2.460 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1(F)F ZINC000594858586 673167347 /nfs/dbraw/zinc/16/73/47/673167347.db2.gz SYOOEIWQQJKLQN-CYBMUJFWSA-N -1 3 357.338 2.467 20 5 FEBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC2)cn1 ZINC000599527205 673688511 /nfs/dbraw/zinc/68/85/11/673688511.db2.gz HMOXIOWAWWTBKJ-CQSZACIVSA-N -1 3 369.424 2.490 20 5 FEBDHM Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000545464513 673770876 /nfs/dbraw/zinc/77/08/76/673770876.db2.gz DXLCSWUCYOTXKL-UHFFFAOYSA-N -1 3 358.379 2.325 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356975 673847492 /nfs/dbraw/zinc/84/74/92/673847492.db2.gz KBOCEUZYJRIFQM-JLLWLGSASA-N -1 3 360.457 2.447 20 5 FEBDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000548696037 673987876 /nfs/dbraw/zinc/98/78/76/673987876.db2.gz KWDZNWHEFPKLSB-UHFFFAOYSA-N -1 3 365.411 2.466 20 5 FEBDHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868954 675625978 /nfs/dbraw/zinc/62/59/78/675625978.db2.gz YDURNEBEXYEWFJ-YUMQZZPRSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868954 675625979 /nfs/dbraw/zinc/62/59/79/675625979.db2.gz YDURNEBEXYEWFJ-YUMQZZPRSA-N -1 3 366.765 2.182 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000617873552 676309807 /nfs/dbraw/zinc/30/98/07/676309807.db2.gz BUHOICNOVXHAKF-UHFFFAOYSA-N -1 3 352.734 2.329 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c[n-]1 ZINC000617873552 676309809 /nfs/dbraw/zinc/30/98/09/676309809.db2.gz BUHOICNOVXHAKF-UHFFFAOYSA-N -1 3 352.734 2.329 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1F ZINC000832439511 680134624 /nfs/dbraw/zinc/13/46/24/680134624.db2.gz BEKNNKUKQBNIKB-UHFFFAOYSA-N -1 3 365.218 2.248 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CC2(Cl)Cl)nc1 ZINC000846024848 681175008 /nfs/dbraw/zinc/17/50/08/681175008.db2.gz YIVQXSUVICVNQH-QMMMGPOBSA-N -1 3 354.215 2.242 20 5 FEBDHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000775906034 681347025 /nfs/dbraw/zinc/34/70/25/681347025.db2.gz FWESBWBNERFCJI-VURMDHGXSA-N -1 3 355.276 2.451 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000849424491 681729251 /nfs/dbraw/zinc/72/92/51/681729251.db2.gz SPUXRKQDIKCHCA-DTWKUNHWSA-N -1 3 371.806 2.132 20 5 FEBDHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779890183 681766488 /nfs/dbraw/zinc/76/64/88/681766488.db2.gz IPZOMWQSDNZKPI-UHFFFAOYSA-N -1 3 364.807 2.177 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000779910049 681770207 /nfs/dbraw/zinc/77/02/07/681770207.db2.gz LCDQNKZHDKBZMB-ZETCQYMHSA-N -1 3 360.779 2.288 20 5 FEBDHM O=c1[n-]ccc(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000853364883 682408718 /nfs/dbraw/zinc/40/87/18/682408718.db2.gz MGFRMVFRRJGROL-NSHDSACASA-N -1 3 367.745 2.266 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCn2ccnc2)c(Cl)cc1Cl ZINC000798225142 683324319 /nfs/dbraw/zinc/32/43/19/683324319.db2.gz TVCPJAAVCAOHDR-UHFFFAOYSA-N -1 3 365.198 2.077 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000921852337 683592610 /nfs/dbraw/zinc/59/26/10/683592610.db2.gz YHKNAGXGAMUOHJ-DGCLKSJQSA-N -1 3 360.457 2.448 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(COC3)CC2)c(Cl)c1 ZINC000882824170 687504918 /nfs/dbraw/zinc/50/49/18/687504918.db2.gz JDBWBQSRBPFXDH-UHFFFAOYSA-N -1 3 360.819 2.486 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000014210719 539598891 /nfs/dbraw/zinc/59/88/91/539598891.db2.gz IHZRITQFEIAUJS-SNVBAGLBSA-N -1 3 350.352 2.363 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Cn2cccn2)cc1 ZINC000016736715 539636044 /nfs/dbraw/zinc/63/60/44/539636044.db2.gz LSIPITOXWKJRNT-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000042566787 540066914 /nfs/dbraw/zinc/06/69/14/540066914.db2.gz GRHLLONFQHLYAH-UHFFFAOYSA-N -1 3 364.335 2.482 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOc1cccc(C)c1 ZINC000042986144 540084650 /nfs/dbraw/zinc/08/46/50/540084650.db2.gz OEVGTMVTFFVMSL-UHFFFAOYSA-N -1 3 366.395 2.269 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000044771449 540140419 /nfs/dbraw/zinc/14/04/19/540140419.db2.gz SNVHWTVJOXHVCU-UHFFFAOYSA-N -1 3 357.775 2.130 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)cc1C ZINC000060498542 541115001 /nfs/dbraw/zinc/11/50/01/541115001.db2.gz RCYXTVUAQFSFQP-UHFFFAOYSA-N -1 3 353.444 2.117 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000072075945 541783234 /nfs/dbraw/zinc/78/32/34/541783234.db2.gz MNVNYCUVCJAJHR-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000080797417 542609370 /nfs/dbraw/zinc/60/93/70/542609370.db2.gz SJFRJXCUUUJCRJ-OAHLLOKOSA-N -1 3 364.423 2.439 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000106891625 543252878 /nfs/dbraw/zinc/25/28/78/543252878.db2.gz OVNGKHHEWZZPKE-NSHDSACASA-N -1 3 357.407 2.029 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000124012152 543796328 /nfs/dbraw/zinc/79/63/28/543796328.db2.gz DNAMAPVEXMJYFD-UWVGGRQHSA-N -1 3 359.835 2.152 20 5 FEBDHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000126210830 543923953 /nfs/dbraw/zinc/92/39/53/543923953.db2.gz CIMUEDQNVVHWPC-QMMMGPOBSA-N -1 3 356.322 2.053 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000127772766 544012611 /nfs/dbraw/zinc/01/26/11/544012611.db2.gz NZMXYZPMMKOGID-RISCZKNCSA-N -1 3 360.407 2.344 20 5 FEBDHM CN(CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccsc2c(=O)[n-]1 ZINC000131827062 544208348 /nfs/dbraw/zinc/20/83/48/544208348.db2.gz GRWQBAHCVBGWBS-UHFFFAOYSA-N -1 3 360.395 2.404 20 5 FEBDHM Cc1nc(C)c(CC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000803280181 674233776 /nfs/dbraw/zinc/23/37/76/674233776.db2.gz CLZBYBBTTIHXHY-UHFFFAOYSA-N -1 3 353.281 2.271 20 5 FEBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186763465 327980878 /nfs/dbraw/zinc/98/08/78/327980878.db2.gz FQUDZSPWUUBWPG-MRXNPFEDSA-N -1 3 356.382 2.262 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c1[N+](=O)[O-] ZINC000189989282 328180872 /nfs/dbraw/zinc/18/08/72/328180872.db2.gz IGUYOSTZODHUNB-AWEZNQCLSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000190155008 328191389 /nfs/dbraw/zinc/19/13/89/328191389.db2.gz IYFGNLKBYMKVJG-ZIAGYGMSSA-N -1 3 354.428 2.448 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000190163543 328191796 /nfs/dbraw/zinc/19/17/96/328191796.db2.gz WKADCDMXUHLJAV-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c1[N+](=O)[O-] ZINC000190160499 328191908 /nfs/dbraw/zinc/19/19/08/328191908.db2.gz WFWTUTHPABBGOJ-LBPRGKRZSA-N -1 3 354.384 2.207 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCOCC(F)F)c1 ZINC000190960356 328242240 /nfs/dbraw/zinc/24/22/40/328242240.db2.gz CEYDRAODOUXGKX-UHFFFAOYSA-N -1 3 358.750 2.117 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000032590941 324478486 /nfs/dbraw/zinc/47/84/86/324478486.db2.gz HFXJASOEEAEQTF-UHFFFAOYSA-N -1 3 369.786 2.456 20 5 FEBDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077656839 325002500 /nfs/dbraw/zinc/00/25/00/325002500.db2.gz LYOPAFFGDYYEAE-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077656836 325002786 /nfs/dbraw/zinc/00/27/86/325002786.db2.gz LYOPAFFGDYYEAE-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000081012161 325153502 /nfs/dbraw/zinc/15/35/02/325153502.db2.gz JJKMKBUPYXPMBH-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000090015514 325351512 /nfs/dbraw/zinc/35/15/12/325351512.db2.gz VPPIBSXRGQEPPY-LLVKDONJSA-N -1 3 355.441 2.285 20 5 FEBDHM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)N2CCCC2)o1 ZINC000101678676 325476959 /nfs/dbraw/zinc/47/69/59/325476959.db2.gz KPERUALHOYODFM-CQSZACIVSA-N -1 3 360.370 2.164 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(=O)Nc1ccccc1 ZINC000113303104 325840867 /nfs/dbraw/zinc/84/08/67/325840867.db2.gz CMYUPLZJIMJZMY-UHFFFAOYSA-N -1 3 363.395 2.210 20 5 FEBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119209616 326137890 /nfs/dbraw/zinc/13/78/90/326137890.db2.gz ODUJJDCKFJRYIR-ZANVPECISA-N -1 3 350.824 2.324 20 5 FEBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000121168903 326318572 /nfs/dbraw/zinc/31/85/72/326318572.db2.gz OCWBFYJUHUUTBQ-GFCCVEGCSA-N -1 3 371.397 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)c(Cl)c1 ZINC000125414901 326471229 /nfs/dbraw/zinc/47/12/29/326471229.db2.gz LEGTVTXNCHJONP-GFCCVEGCSA-N -1 3 370.814 2.303 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c(F)c1 ZINC000161987951 327014295 /nfs/dbraw/zinc/01/42/95/327014295.db2.gz QMGMIQBUTKSEHM-CQSZACIVSA-N -1 3 360.407 2.344 20 5 FEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000174105296 327306548 /nfs/dbraw/zinc/30/65/48/327306548.db2.gz CGRIUQYNJDCLCS-GFCCVEGCSA-N -1 3 367.402 2.363 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@H]21 ZINC000247159462 328671542 /nfs/dbraw/zinc/67/15/42/328671542.db2.gz XZJZIVWHDGYBEA-ZWKOPEQDSA-N -1 3 360.819 2.340 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1C(C)C ZINC000267826297 329361028 /nfs/dbraw/zinc/36/10/28/329361028.db2.gz ZACLDTOPXLUEBA-WBMJQRKESA-N -1 3 372.443 2.333 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000269783058 329548447 /nfs/dbraw/zinc/54/84/47/329548447.db2.gz IOSIRQKGKDNSRH-CQSZACIVSA-N -1 3 366.395 2.005 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccco1 ZINC000272382075 329776275 /nfs/dbraw/zinc/77/62/75/329776275.db2.gz GWTBHCZBUMTNNG-LBPRGKRZSA-N -1 3 370.383 2.253 20 5 FEBDHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1[O-] ZINC000272443874 329781786 /nfs/dbraw/zinc/78/17/86/329781786.db2.gz MSYZLNUWZNFMPG-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000273667440 329882930 /nfs/dbraw/zinc/88/29/30/329882930.db2.gz YXXGDPSYKAETDN-SECBINFHSA-N -1 3 356.429 2.411 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1c(C)noc1C ZINC000159831942 545983712 /nfs/dbraw/zinc/98/37/12/545983712.db2.gz QCZUNOLXSVKUQS-VIFPVBQESA-N -1 3 369.399 2.118 20 5 FEBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000159870462 545988283 /nfs/dbraw/zinc/98/82/83/545988283.db2.gz QUPXLUMSRIOKDH-JTQLQIEISA-N -1 3 353.400 2.418 20 5 FEBDHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000160265374 546024630 /nfs/dbraw/zinc/02/46/30/546024630.db2.gz YVUSFQWWQNWXLJ-GFCCVEGCSA-N -1 3 359.423 2.133 20 5 FEBDHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480694684 561214662 /nfs/dbraw/zinc/21/46/62/561214662.db2.gz NDDJKIVUIXUMLH-SNVBAGLBSA-N -1 3 358.416 2.079 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000480738621 561215661 /nfs/dbraw/zinc/21/56/61/561215661.db2.gz HNBOSGQBKSTOAF-NSHDSACASA-N -1 3 358.416 2.220 20 5 FEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000481221907 561228219 /nfs/dbraw/zinc/22/82/19/561228219.db2.gz XPMICOHIKSBJKO-GHMZBOCLSA-N -1 3 356.400 2.081 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000481502931 561234445 /nfs/dbraw/zinc/23/44/45/561234445.db2.gz RCTFUNNYJROGHB-LLVKDONJSA-N -1 3 360.432 2.069 20 5 FEBDHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000482834451 561260894 /nfs/dbraw/zinc/26/08/94/561260894.db2.gz YKSZVDLDJIAYLP-ZETCQYMHSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000482834451 561260895 /nfs/dbraw/zinc/26/08/95/561260895.db2.gz YKSZVDLDJIAYLP-ZETCQYMHSA-N -1 3 358.280 2.292 20 5 FEBDHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000482834451 561260896 /nfs/dbraw/zinc/26/08/96/561260896.db2.gz YKSZVDLDJIAYLP-ZETCQYMHSA-N -1 3 358.280 2.292 20 5 FEBDHM Cn1cnnc1-c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000183387589 547648272 /nfs/dbraw/zinc/64/82/72/547648272.db2.gz VPJUVLPIEHBILE-UHFFFAOYSA-N -1 3 373.394 2.332 20 5 FEBDHM Cc1c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000184622949 547856546 /nfs/dbraw/zinc/85/65/46/547856546.db2.gz OLOFRRBLSOXDNZ-UHFFFAOYSA-N -1 3 368.357 2.122 20 5 FEBDHM CC(=O)c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000485143357 561313750 /nfs/dbraw/zinc/31/37/50/561313750.db2.gz DGOHETLENDQMSO-UHFFFAOYSA-N -1 3 369.424 2.249 20 5 FEBDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000485849042 561329646 /nfs/dbraw/zinc/32/96/46/561329646.db2.gz MSNNOILXZLFLME-UHFFFAOYSA-N -1 3 368.367 2.015 20 5 FEBDHM Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000262136334 549791908 /nfs/dbraw/zinc/79/19/08/549791908.db2.gz LLBYAHQVTZENBV-FHSNZYRGSA-N -1 3 361.398 2.417 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000494023917 561460942 /nfs/dbraw/zinc/46/09/42/561460942.db2.gz VGOMTGYZMHSUNB-UHFFFAOYSA-N -1 3 368.346 2.061 20 5 FEBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000276799519 550597143 /nfs/dbraw/zinc/59/71/43/550597143.db2.gz GEKUFWOYVOMYBF-VHSXEESVSA-N -1 3 353.404 2.266 20 5 FEBDHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000276799519 550597145 /nfs/dbraw/zinc/59/71/45/550597145.db2.gz GEKUFWOYVOMYBF-VHSXEESVSA-N -1 3 353.404 2.266 20 5 FEBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000289553399 552339733 /nfs/dbraw/zinc/33/97/33/552339733.db2.gz NECGUDPYGNGTJF-SFYZADRCSA-N -1 3 367.221 2.059 20 5 FEBDHM CC(C)(CCc1noc(-c2ccc(F)c([N-]S(C)(=O)=O)c2)n1)[N+](=O)[O-] ZINC000291134296 552591312 /nfs/dbraw/zinc/59/13/12/552591312.db2.gz WXGPTASBXXDHND-UHFFFAOYSA-N -1 3 372.378 2.235 20 5 FEBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000295469260 553012141 /nfs/dbraw/zinc/01/21/41/553012141.db2.gz YUAIYKOJNKPKSS-GFCCVEGCSA-N -1 3 352.416 2.468 20 5 FEBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000295473715 553012812 /nfs/dbraw/zinc/01/28/12/553012812.db2.gz ZDEYCFBDKNUXFU-GFCCVEGCSA-N -1 3 352.416 2.468 20 5 FEBDHM COCCCn1cc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000295970308 553083129 /nfs/dbraw/zinc/08/31/29/553083129.db2.gz SJBNTCVKVMFFJI-UHFFFAOYSA-N -1 3 358.358 2.265 20 5 FEBDHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000502659005 561622966 /nfs/dbraw/zinc/62/29/66/561622966.db2.gz UJXZIDJGQIGEDE-LLVKDONJSA-N -1 3 366.443 2.331 20 5 FEBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000326373027 553780549 /nfs/dbraw/zinc/78/05/49/553780549.db2.gz ZVXWQMJOUKKASI-MNOVXSKESA-N -1 3 358.416 2.484 20 5 FEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000508092438 561751258 /nfs/dbraw/zinc/75/12/58/561751258.db2.gz DEVRUPZGKQYBCB-LBPRGKRZSA-N -1 3 368.333 2.157 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000330695072 554158646 /nfs/dbraw/zinc/15/86/46/554158646.db2.gz IXIQJNQMXNXTGS-ZDUSSCGKSA-N -1 3 358.416 2.228 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000330710043 554161699 /nfs/dbraw/zinc/16/16/99/554161699.db2.gz OQJKQWCXMKJUAQ-UHFFFAOYSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cn3cc(C)ccc3n2)c([N+](=O)[O-])c1 ZINC000509778062 561813547 /nfs/dbraw/zinc/81/35/47/561813547.db2.gz SHPSQCZDRUDOIA-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1c(F)cncc1F ZINC000511025599 561854163 /nfs/dbraw/zinc/85/41/63/561854163.db2.gz FZDKVRNLVJHNEV-MRVPVSSYSA-N -1 3 373.337 2.316 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnn3ccccc23)c1C ZINC000511249745 561862707 /nfs/dbraw/zinc/86/27/07/561862707.db2.gz IRGUZTQIWCAMPB-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1c1cccs1 ZINC000361390545 554920462 /nfs/dbraw/zinc/92/04/62/554920462.db2.gz GVEOTMPGYCIAAA-YGRLFVJLSA-N -1 3 362.411 2.180 20 5 FEBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1noc(-c2ccccc2[O-])n1 ZINC000363086015 555027276 /nfs/dbraw/zinc/02/72/76/555027276.db2.gz NDZIRLGUJFTOBS-UHFFFAOYSA-N -1 3 366.289 2.147 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000364126280 555255012 /nfs/dbraw/zinc/25/50/12/555255012.db2.gz LRIMNTCPOPIHMW-CVEARBPZSA-N -1 3 370.427 2.087 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC1=CCCC1)OCCO2 ZINC000513160397 561927567 /nfs/dbraw/zinc/92/75/67/561927567.db2.gz MOLWQDVIUXGATB-UHFFFAOYSA-N -1 3 354.384 2.145 20 5 FEBDHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366326446 555812920 /nfs/dbraw/zinc/81/29/20/555812920.db2.gz FAUYGCRCXSXRGZ-UHFFFAOYSA-N -1 3 369.377 2.335 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000371070839 557066064 /nfs/dbraw/zinc/06/60/64/557066064.db2.gz XRQBJKLWIQJLII-GLQYFDAESA-N -1 3 370.427 2.085 20 5 FEBDHM Cc1nc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)no1 ZINC000517468337 562090861 /nfs/dbraw/zinc/09/08/61/562090861.db2.gz ISRUHOQALIZMGK-UHFFFAOYSA-N -1 3 371.309 2.218 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000517484735 562091066 /nfs/dbraw/zinc/09/10/66/562091066.db2.gz GYTUZFKOMHYOGV-CQSZACIVSA-N -1 3 353.444 2.198 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520975237 562166679 /nfs/dbraw/zinc/16/66/79/562166679.db2.gz HNLGMNCUMISFPO-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376156426 558134536 /nfs/dbraw/zinc/13/45/36/558134536.db2.gz HYFDUPACYDPJID-CABCVRRESA-N -1 3 371.393 2.242 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(C)(C)C1CC1 ZINC000392843229 558619472 /nfs/dbraw/zinc/61/94/72/558619472.db2.gz VISUTDWBLKPLRC-UHFFFAOYSA-N -1 3 370.427 2.486 20 5 FEBDHM CC(=O)c1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[O-] ZINC000412291532 559025205 /nfs/dbraw/zinc/02/52/05/559025205.db2.gz RNPIXTAYEHGNIN-UHFFFAOYSA-N -1 3 358.354 2.177 20 5 FEBDHM C[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416436675 559312595 /nfs/dbraw/zinc/31/25/95/559312595.db2.gz DNCHJHMWESKXMH-NSHDSACASA-N -1 3 354.306 2.071 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416462551 559314872 /nfs/dbraw/zinc/31/48/72/559314872.db2.gz RBWTYOOFLLCGIV-GFCCVEGCSA-N -1 3 368.333 2.053 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416485209 559316784 /nfs/dbraw/zinc/31/67/84/559316784.db2.gz ZYDUGAMUZKURCH-SECBINFHSA-N -1 3 356.322 2.317 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCOC(C)(C)C1 ZINC000416502647 559318100 /nfs/dbraw/zinc/31/81/00/559318100.db2.gz MRXQSRPZQYRDCF-LLVKDONJSA-N -1 3 358.416 2.087 20 5 FEBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C12CCC2 ZINC000416570444 559322624 /nfs/dbraw/zinc/32/26/24/559322624.db2.gz ZWDDOWIQICZMHH-CHWSQXEVSA-N -1 3 354.428 2.448 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)c(Cl)c1 ZINC000416624083 559325812 /nfs/dbraw/zinc/32/58/12/559325812.db2.gz OJZAIZNVRZWHFH-GXSJLCMTSA-N -1 3 370.761 2.075 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(=O)OC)c(C3CC3)s2)n1 ZINC000429503605 559800108 /nfs/dbraw/zinc/80/01/08/559800108.db2.gz MXQVEJOOEZVJHL-UHFFFAOYSA-N -1 3 365.371 2.184 20 5 FEBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N(C)CC(F)(F)F ZINC000431782526 559845882 /nfs/dbraw/zinc/84/58/82/559845882.db2.gz GBBLAZACQLSSBU-SECBINFHSA-N -1 3 371.319 2.806 20 5 FEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000433475508 559882801 /nfs/dbraw/zinc/88/28/01/559882801.db2.gz RZYAIJXKAIBURG-JTQLQIEISA-N -1 3 364.445 2.222 20 5 FEBDHM COc1cccc(C(=O)[N-]c2ccccc2SCC(N)=O)c1[N+](=O)[O-] ZINC000435662443 559927600 /nfs/dbraw/zinc/92/76/00/559927600.db2.gz DIMMDTMVSTWSDT-UHFFFAOYSA-N -1 3 361.379 2.433 20 5 FEBDHM CC(=O)c1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1[O-] ZINC000436572120 559945752 /nfs/dbraw/zinc/94/57/52/559945752.db2.gz DDXFWAWTKVIWQB-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000436958456 559957531 /nfs/dbraw/zinc/95/75/31/559957531.db2.gz BBNRIBCTCDQXGG-UHFFFAOYSA-N -1 3 359.386 2.324 20 5 FEBDHM CCCc1[nH]nc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)c1[N+](=O)[O-] ZINC000438347293 559977718 /nfs/dbraw/zinc/97/77/18/559977718.db2.gz GCPYZXJVPPXWSA-UHFFFAOYSA-N -1 3 372.341 2.186 20 5 FEBDHM CCCc1[nH]nc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c1[N+](=O)[O-] ZINC000438347293 559977719 /nfs/dbraw/zinc/97/77/19/559977719.db2.gz GCPYZXJVPPXWSA-UHFFFAOYSA-N -1 3 372.341 2.186 20 5 FEBDHM COC(=O)c1cc([N-]S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000438722528 559982855 /nfs/dbraw/zinc/98/28/55/559982855.db2.gz MLNWOFRGKRWHIL-PHIMTYICSA-N -1 3 371.415 2.016 20 5 FEBDHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000443024083 560066503 /nfs/dbraw/zinc/06/65/03/560066503.db2.gz TZMURVCPVBPXPW-VIFPVBQESA-N -1 3 370.408 2.482 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)cc1C ZINC000443271201 560077191 /nfs/dbraw/zinc/07/71/91/560077191.db2.gz YRJLWAWIJNCNHI-AWEZNQCLSA-N -1 3 368.386 2.363 20 5 FEBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443555896 560087330 /nfs/dbraw/zinc/08/73/30/560087330.db2.gz CVPNTVKOJKVCJL-NSHDSACASA-N -1 3 363.374 2.180 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000443781829 560092644 /nfs/dbraw/zinc/09/26/44/560092644.db2.gz OMPXXDNSCTWQFV-UHFFFAOYSA-N -1 3 360.395 2.301 20 5 FEBDHM COCCCn1ccc([N-]c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)n1 ZINC000447804337 560169381 /nfs/dbraw/zinc/16/93/81/560169381.db2.gz FDMBCWVMLFJJEB-UHFFFAOYSA-N -1 3 368.777 3.011 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000451819813 560330729 /nfs/dbraw/zinc/33/07/29/560330729.db2.gz BNDBJVQORUBYFZ-OCCSQVGLSA-N -1 3 372.443 2.333 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000451825289 560331001 /nfs/dbraw/zinc/33/10/01/560331001.db2.gz QMAMIXQRNHUNEU-QMMMGPOBSA-N -1 3 368.333 2.456 20 5 FEBDHM CC[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453151160 560383926 /nfs/dbraw/zinc/38/39/26/560383926.db2.gz VPNBPANHPFDROQ-AWEZNQCLSA-N -1 3 364.427 2.009 20 5 FEBDHM Cc1c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nn2c1OCCC2 ZINC000459892617 560717254 /nfs/dbraw/zinc/71/72/54/560717254.db2.gz AVGHQTVHJMULRR-UHFFFAOYSA-N -1 3 374.353 2.296 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000461788660 560783602 /nfs/dbraw/zinc/78/36/02/560783602.db2.gz ATFWAANOBWTSOM-CYBMUJFWSA-N -1 3 372.443 2.071 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461792548 560784020 /nfs/dbraw/zinc/78/40/20/560784020.db2.gz WHIGGRNIXLPLKI-ZDUSSCGKSA-N -1 3 372.443 2.071 20 5 FEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467399636 560909367 /nfs/dbraw/zinc/90/93/67/560909367.db2.gz PVAMFUHRWLFBCE-UHFFFAOYSA-N -1 3 369.424 2.402 20 5 FEBDHM COc1cc(CCO)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000468152957 560923698 /nfs/dbraw/zinc/92/36/98/560923698.db2.gz MDCHQEOWXKMOEF-UHFFFAOYSA-N -1 3 356.338 2.267 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2noc3ccccc32)c([N+](=O)[O-])c1 ZINC000470266463 560977648 /nfs/dbraw/zinc/97/76/48/560977648.db2.gz ZEJAAHVWXBEDOS-UHFFFAOYSA-N -1 3 363.351 2.223 20 5 FEBDHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000470767068 560989330 /nfs/dbraw/zinc/98/93/30/560989330.db2.gz SCNPHCZOAYBMTJ-VIFPVBQESA-N -1 3 364.807 2.114 20 5 FEBDHM COC(=O)CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000472693580 561033280 /nfs/dbraw/zinc/03/32/80/561033280.db2.gz QPBGFOVWYXWVCK-UHFFFAOYSA-N -1 3 370.427 2.387 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1c(F)cccc1F)OCCO2 ZINC000476744685 561127469 /nfs/dbraw/zinc/12/74/69/561127469.db2.gz WZDCPHVGFFUTSY-UHFFFAOYSA-N -1 3 372.305 2.445 20 5 FEBDHM NC(=O)c1ccc(SCC(=O)Nc2cc(F)ccc2[O-])c([N+](=O)[O-])c1 ZINC000533970425 562522478 /nfs/dbraw/zinc/52/24/78/562522478.db2.gz RWJKUMPKBORYRS-UHFFFAOYSA-N -1 3 365.342 2.269 20 5 FEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000535042007 562549232 /nfs/dbraw/zinc/54/92/32/562549232.db2.gz UHXJDCQHIKAETG-UHFFFAOYSA-N -1 3 372.349 2.371 20 5 FEBDHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000535532806 562560548 /nfs/dbraw/zinc/56/05/48/562560548.db2.gz OJWAWUCCUDPPTK-SECBINFHSA-N -1 3 364.807 2.116 20 5 FEBDHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000568622923 568100032 /nfs/dbraw/zinc/10/00/32/568100032.db2.gz HUXUBITUBLMIPY-TZMCWYRMSA-N -1 3 372.443 2.035 20 5 FEBDHM Cc1ccc(NCCCNc2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC000737362954 598857197 /nfs/dbraw/zinc/85/71/97/598857197.db2.gz ZNSXDRZWCLQVLS-UHFFFAOYSA-N -1 3 354.374 2.392 20 5 FEBDHM Cc1ccc(NCCCNc2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC000737362954 598857198 /nfs/dbraw/zinc/85/71/98/598857198.db2.gz ZNSXDRZWCLQVLS-UHFFFAOYSA-N -1 3 354.374 2.392 20 5 FEBDHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000737214221 598306159 /nfs/dbraw/zinc/30/61/59/598306159.db2.gz GMONIYNCYTUPRP-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000737214221 598306160 /nfs/dbraw/zinc/30/61/60/598306160.db2.gz GMONIYNCYTUPRP-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368918 598375301 /nfs/dbraw/zinc/37/53/01/598375301.db2.gz FQMCXLCMPRKKEK-CYBMUJFWSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368918 598375303 /nfs/dbraw/zinc/37/53/03/598375303.db2.gz FQMCXLCMPRKKEK-CYBMUJFWSA-N -1 3 351.370 2.466 20 5 FEBDHM COC(=O)c1ccc2c(c1)CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000736948752 598388018 /nfs/dbraw/zinc/38/80/18/598388018.db2.gz PEVZKJSKAHZNTH-UHFFFAOYSA-N -1 3 366.337 2.082 20 5 FEBDHM COC(=O)c1ccc2c(c1)CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000736948752 598388019 /nfs/dbraw/zinc/38/80/19/598388019.db2.gz PEVZKJSKAHZNTH-UHFFFAOYSA-N -1 3 366.337 2.082 20 5 FEBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154720 598488662 /nfs/dbraw/zinc/48/86/62/598488662.db2.gz AVXSXOBWBKIZPI-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154720 598488664 /nfs/dbraw/zinc/48/86/64/598488664.db2.gz AVXSXOBWBKIZPI-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM Cc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822115541 607360405 /nfs/dbraw/zinc/36/04/05/607360405.db2.gz FRSQGODHQHYIGF-UHFFFAOYSA-N -1 3 356.346 2.182 20 5 FEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738165054 598601451 /nfs/dbraw/zinc/60/14/51/598601451.db2.gz DFDZRSXANOZWCX-UHFFFAOYSA-N -1 3 368.288 2.043 20 5 FEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738165054 598601452 /nfs/dbraw/zinc/60/14/52/598601452.db2.gz DFDZRSXANOZWCX-UHFFFAOYSA-N -1 3 368.288 2.043 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[S@](=O)Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370781 598629114 /nfs/dbraw/zinc/62/91/14/598629114.db2.gz QHMKAHVYOKWQRD-SANMLTNESA-N -1 3 372.410 2.136 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[S@](=O)Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370781 598629115 /nfs/dbraw/zinc/62/91/15/598629115.db2.gz QHMKAHVYOKWQRD-SANMLTNESA-N -1 3 372.410 2.136 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc([N+](=O)[O-])ccc1OC ZINC000821731890 607369046 /nfs/dbraw/zinc/36/90/46/607369046.db2.gz HWNGUZBGWYKQHS-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc([N+](=O)[O-])ccc1OC ZINC000821731890 607369047 /nfs/dbraw/zinc/36/90/47/607369047.db2.gz HWNGUZBGWYKQHS-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736191991 598805790 /nfs/dbraw/zinc/80/57/90/598805790.db2.gz JQYBVUWHVUTUNZ-SECBINFHSA-N -1 3 371.382 2.289 20 5 FEBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736191991 598805791 /nfs/dbraw/zinc/80/57/91/598805791.db2.gz JQYBVUWHVUTUNZ-SECBINFHSA-N -1 3 371.382 2.289 20 5 FEBDHM CNC(=O)c1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821635060 599356144 /nfs/dbraw/zinc/35/61/44/599356144.db2.gz KBLCVPXYQWBPHE-JTQLQIEISA-N -1 3 367.369 2.308 20 5 FEBDHM CNC(=O)c1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821635060 599356146 /nfs/dbraw/zinc/35/61/46/599356146.db2.gz KBLCVPXYQWBPHE-JTQLQIEISA-N -1 3 367.369 2.308 20 5 FEBDHM COc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821769747 599499607 /nfs/dbraw/zinc/49/96/07/599499607.db2.gz KKIQEXWVELKVJK-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM COc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821769747 599499610 /nfs/dbraw/zinc/49/96/10/599499610.db2.gz KKIQEXWVELKVJK-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3nccs3)cc(-c3nnn[n-]3)c2c1 ZINC000823645916 599507648 /nfs/dbraw/zinc/50/76/48/599507648.db2.gz VWVUWWKIEUOVBV-UHFFFAOYSA-N -1 3 368.382 2.434 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3nccs3)cc(-c3nn[n-]n3)c2c1 ZINC000823645916 599507649 /nfs/dbraw/zinc/50/76/49/599507649.db2.gz VWVUWWKIEUOVBV-UHFFFAOYSA-N -1 3 368.382 2.434 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821845137 599536864 /nfs/dbraw/zinc/53/68/64/599536864.db2.gz BJDZJYYOXIFRRS-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821845137 599536867 /nfs/dbraw/zinc/53/68/67/599536867.db2.gz BJDZJYYOXIFRRS-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820392705 599634256 /nfs/dbraw/zinc/63/42/56/599634256.db2.gz ZHKZBQWNSSTXKU-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820392705 599634257 /nfs/dbraw/zinc/63/42/57/599634257.db2.gz ZHKZBQWNSSTXKU-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM CCN1CCCC[C@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829771155 601444513 /nfs/dbraw/zinc/44/45/13/601444513.db2.gz TXPKDCMARTZYHY-JTQLQIEISA-N -1 3 352.347 2.488 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212395 607540875 /nfs/dbraw/zinc/54/08/75/607540875.db2.gz OXCQWANFHQLAPK-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212395 607540877 /nfs/dbraw/zinc/54/08/77/607540877.db2.gz OXCQWANFHQLAPK-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206134 607595863 /nfs/dbraw/zinc/59/58/63/607595863.db2.gz FFJZDVDARWJZFT-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206134 607595865 /nfs/dbraw/zinc/59/58/65/607595865.db2.gz FFJZDVDARWJZFT-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(COC(=O)c2csc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826206766 607602677 /nfs/dbraw/zinc/60/26/77/607602677.db2.gz KKTUTXQVSBJDGF-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1ccc(COC(=O)c2csc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826206766 607602678 /nfs/dbraw/zinc/60/26/78/607602678.db2.gz KKTUTXQVSBJDGF-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM C[C@@](CNC(=O)[O-])(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000824952154 605166569 /nfs/dbraw/zinc/16/65/69/605166569.db2.gz KUBCQXCLPGYHRB-HNNXBMFYSA-N -1 3 370.793 2.213 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@]2(O)CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826499008 607739529 /nfs/dbraw/zinc/73/95/29/607739529.db2.gz RMXYABVONZZQLY-QGZVFWFLSA-N -1 3 352.354 2.021 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@]2(O)CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826499008 607739530 /nfs/dbraw/zinc/73/95/30/607739530.db2.gz RMXYABVONZZQLY-QGZVFWFLSA-N -1 3 352.354 2.021 20 5 FEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833506434 605192669 /nfs/dbraw/zinc/19/26/69/605192669.db2.gz BHHNWSGNONMRRG-CQSZACIVSA-N -1 3 365.430 2.363 20 5 FEBDHM Cn1cc(CN2CCC[C@@H](CNC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833947214 605553410 /nfs/dbraw/zinc/55/34/10/605553410.db2.gz AVMKNKPKNCNPIO-ZDUSSCGKSA-N -1 3 373.413 2.475 20 5 FEBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000820995906 606421375 /nfs/dbraw/zinc/42/13/75/606421375.db2.gz ZZAQHYQBHVHXCB-ZIAGYGMSSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000820995906 606421376 /nfs/dbraw/zinc/42/13/76/606421376.db2.gz ZZAQHYQBHVHXCB-ZIAGYGMSSA-N -1 3 373.417 2.001 20 5 FEBDHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821612335 606477409 /nfs/dbraw/zinc/47/74/09/606477409.db2.gz QWPUEPPEWGDTGG-SANMLTNESA-N -1 3 372.410 2.149 20 5 FEBDHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821612335 606477411 /nfs/dbraw/zinc/47/74/11/606477411.db2.gz QWPUEPPEWGDTGG-SANMLTNESA-N -1 3 372.410 2.149 20 5 FEBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000823472383 606511773 /nfs/dbraw/zinc/51/17/73/606511773.db2.gz KKFYEFKYUWLNQR-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000823472383 606511774 /nfs/dbraw/zinc/51/17/74/606511774.db2.gz KKFYEFKYUWLNQR-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM O=c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc2[nH]1 ZINC000823665737 606643057 /nfs/dbraw/zinc/64/30/57/606643057.db2.gz UCSVXFAWIIKUAO-UHFFFAOYSA-N -1 3 364.325 2.036 20 5 FEBDHM O=c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc2[nH]1 ZINC000823665737 606643058 /nfs/dbraw/zinc/64/30/58/606643058.db2.gz UCSVXFAWIIKUAO-UHFFFAOYSA-N -1 3 364.325 2.036 20 5 FEBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000823405825 606942696 /nfs/dbraw/zinc/94/26/96/606942696.db2.gz WQGQWSHDWPFZHU-UHFFFAOYSA-N -1 3 369.337 2.401 20 5 FEBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000823405825 606942699 /nfs/dbraw/zinc/94/26/99/606942699.db2.gz WQGQWSHDWPFZHU-UHFFFAOYSA-N -1 3 369.337 2.401 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000823629660 607226212 /nfs/dbraw/zinc/22/62/12/607226212.db2.gz DKKZDLYWLQHCBS-INIZCTEOSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000823629660 607226213 /nfs/dbraw/zinc/22/62/13/607226213.db2.gz DKKZDLYWLQHCBS-INIZCTEOSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccc(F)cc1F ZINC000826499386 607876720 /nfs/dbraw/zinc/87/67/20/607876720.db2.gz GZJMZYUENLPIMJ-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccc(F)cc1F ZINC000826499386 607876721 /nfs/dbraw/zinc/87/67/21/607876721.db2.gz GZJMZYUENLPIMJ-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM Cc1c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000826241700 608007846 /nfs/dbraw/zinc/00/78/46/608007846.db2.gz LQVYULKLEKRRJN-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM Cc1c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000826241700 608007847 /nfs/dbraw/zinc/00/78/47/608007847.db2.gz LQVYULKLEKRRJN-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826098741 608237973 /nfs/dbraw/zinc/23/79/73/608237973.db2.gz NIQMETZEDJSIEF-NSHDSACASA-N -1 3 374.401 2.191 20 5 FEBDHM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826098741 608237975 /nfs/dbraw/zinc/23/79/75/608237975.db2.gz NIQMETZEDJSIEF-NSHDSACASA-N -1 3 374.401 2.191 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nnn[n-]2)c1F ZINC000826420044 608435931 /nfs/dbraw/zinc/43/59/31/608435931.db2.gz WLJIHFDKHOEMTA-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nn[n-]n2)c1F ZINC000826420044 608435933 /nfs/dbraw/zinc/43/59/33/608435933.db2.gz WLJIHFDKHOEMTA-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000814278710 674829754 /nfs/dbraw/zinc/82/97/54/674829754.db2.gz QWAXUPMCVILNIU-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000609387861 675921242 /nfs/dbraw/zinc/92/12/42/675921242.db2.gz LKOYLECMLJTDGQ-UHFFFAOYSA-N -1 3 363.395 2.290 20 5 FEBDHM Cc1c(Br)c(N2CCc3nc[n-]c(=O)c3C2)ncc1[N+](=O)[O-] ZINC000580980208 671852513 /nfs/dbraw/zinc/85/25/13/671852513.db2.gz MUSRGMUOLVVZJM-UHFFFAOYSA-N -1 3 366.175 2.119 20 5 FEBDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593536929 672936680 /nfs/dbraw/zinc/93/66/80/672936680.db2.gz XTNHABIWNYPWHN-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000593560917 672943222 /nfs/dbraw/zinc/94/32/22/672943222.db2.gz VZDWRYSUBZYYFM-OHUAYANFSA-N -1 3 363.395 2.221 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000593560918 672943338 /nfs/dbraw/zinc/94/33/38/672943338.db2.gz VZDWRYSUBZYYFM-XMZIXOGTSA-N -1 3 363.395 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)nc1 ZINC000593595518 672953984 /nfs/dbraw/zinc/95/39/84/672953984.db2.gz HWCCYZJPQKCGKM-HUUCEWRRSA-N -1 3 363.395 2.188 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCN(C2CCCCC2)C1 ZINC000594854182 673164839 /nfs/dbraw/zinc/16/48/39/673164839.db2.gz FHIKZJCEJLXZMT-LBPRGKRZSA-N -1 3 371.434 2.419 20 5 FEBDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814290 673292123 /nfs/dbraw/zinc/29/21/23/673292123.db2.gz LNVVPZXMDCVLSC-VXGBXAGGSA-N -1 3 359.423 2.275 20 5 FEBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732223588 673359314 /nfs/dbraw/zinc/35/93/14/673359314.db2.gz IOSBTXGKIVFGEF-GFCCVEGCSA-N -1 3 361.851 2.401 20 5 FEBDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000540484292 673542172 /nfs/dbraw/zinc/54/21/72/673542172.db2.gz DDUZCTYFTFMWCJ-NSHDSACASA-N -1 3 360.407 2.201 20 5 FEBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599411362 673671598 /nfs/dbraw/zinc/67/15/98/673671598.db2.gz ZYTDZWOSOVVJSA-NSHDSACASA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)nc1 ZINC000599466874 673679411 /nfs/dbraw/zinc/67/94/11/673679411.db2.gz DGAVBQMKOBRCKN-BYCMXARLSA-N -1 3 365.798 2.260 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601394070 673854442 /nfs/dbraw/zinc/85/44/42/673854442.db2.gz NIYVWTMIYWCGIR-GXTWGEPZSA-N -1 3 360.457 2.448 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601393736 673854599 /nfs/dbraw/zinc/85/45/99/673854599.db2.gz KFTDBVBKXYHOFL-FZMZJTMJSA-N -1 3 358.391 2.278 20 5 FEBDHM O=[N+]([O-])c1ccsc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000619651843 676389351 /nfs/dbraw/zinc/38/93/51/676389351.db2.gz AXWNTHKAGQGMNH-UHFFFAOYSA-N -1 3 363.367 2.325 20 5 FEBDHM Cc1csc([N-]C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)n1 ZINC000751208296 680159805 /nfs/dbraw/zinc/15/98/05/680159805.db2.gz QBPFGCJZHOBOGQ-UHFFFAOYSA-N -1 3 366.311 2.291 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000758426703 680578573 /nfs/dbraw/zinc/57/85/73/680578573.db2.gz JXQWJRDSOZVVRT-ONEGZZNKSA-N -1 3 358.339 2.439 20 5 FEBDHM Cc1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000759170056 680632744 /nfs/dbraw/zinc/63/27/44/680632744.db2.gz XVAAXANKNVUPTG-UHFFFAOYSA-N -1 3 366.399 2.391 20 5 FEBDHM CCOc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1C ZINC000759167049 680632768 /nfs/dbraw/zinc/63/27/68/680632768.db2.gz CACOHWLMQXEFKN-UHFFFAOYSA-N -1 3 352.372 2.002 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000921320228 683421571 /nfs/dbraw/zinc/42/15/71/683421571.db2.gz FTANZOSOTJIHEY-GDBMZVCRSA-N -1 3 366.370 2.486 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000867734474 684365889 /nfs/dbraw/zinc/36/58/89/684365889.db2.gz UHAZCSUWIIVELL-WCQYABFASA-N -1 3 360.457 2.448 20 5 FEBDHM COCCN(CCC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000903713063 690966180 /nfs/dbraw/zinc/96/61/80/690966180.db2.gz YIBCZOJZPYDKCT-UHFFFAOYSA-N -1 3 361.192 2.280 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000023397668 539714100 /nfs/dbraw/zinc/71/41/00/539714100.db2.gz QJQPLYZCQJSUJP-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM CNc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000024886520 539743646 /nfs/dbraw/zinc/74/36/46/539743646.db2.gz NPJMOCBMVIIZDH-UHFFFAOYSA-N -1 3 364.383 2.260 20 5 FEBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)c(C)c1 ZINC000028498816 539833367 /nfs/dbraw/zinc/83/33/67/539833367.db2.gz OODXOMHLHNRGBL-UHFFFAOYSA-N -1 3 365.411 2.417 20 5 FEBDHM CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000029167204 539845752 /nfs/dbraw/zinc/84/57/52/539845752.db2.gz RGJDWPHWHSKVOA-MRXNPFEDSA-N -1 3 358.398 2.096 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCN(C2CC2)CC1 ZINC000029966181 539870516 /nfs/dbraw/zinc/87/05/16/539870516.db2.gz DZPCRKWAMXDYPZ-UHFFFAOYSA-N -1 3 359.835 2.153 20 5 FEBDHM O=c1nc(Cn2cnc([N+](=O)[O-])n2)[n-]c2scc(-c3ccccc3)c21 ZINC000053834897 540557341 /nfs/dbraw/zinc/55/73/41/540557341.db2.gz VRGGYUUAFFLGJL-UHFFFAOYSA-N -1 3 354.351 2.200 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(=O)NC1CCCCC1 ZINC000056130363 540705731 /nfs/dbraw/zinc/70/57/31/540705731.db2.gz ITHXTSGSYUQQIF-UHFFFAOYSA-N -1 3 369.443 2.021 20 5 FEBDHM O=C(Nc1cccc(Cn2cncn2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000057244642 540781749 /nfs/dbraw/zinc/78/17/49/540781749.db2.gz ZUEAUKQDUAVTIC-UHFFFAOYSA-N -1 3 363.337 2.363 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000066568657 541337824 /nfs/dbraw/zinc/33/78/24/541337824.db2.gz SSLQQLXBQLVBHP-UHFFFAOYSA-N -1 3 361.173 2.429 20 5 FEBDHM COCC(C)(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066577874 541339693 /nfs/dbraw/zinc/33/96/93/541339693.db2.gz FCFWKVPJMJBYNH-UHFFFAOYSA-N -1 3 367.221 2.061 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 ZINC000097271777 543009542 /nfs/dbraw/zinc/00/95/42/543009542.db2.gz UHMLBDWGSRPDKY-ZFWWWQNUSA-N -1 3 368.798 2.185 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891518 543252987 /nfs/dbraw/zinc/25/29/87/543252987.db2.gz CBBYUTQGTYXSDQ-CYBMUJFWSA-N -1 3 353.444 2.198 20 5 FEBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000116907562 543619307 /nfs/dbraw/zinc/61/93/07/543619307.db2.gz JNIHKUJWLGTUMX-LBPRGKRZSA-N -1 3 367.402 2.363 20 5 FEBDHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000122593182 543712286 /nfs/dbraw/zinc/71/22/86/543712286.db2.gz JHTOMTJUQMYOKP-LLVKDONJSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123511462 543766669 /nfs/dbraw/zinc/76/66/69/543766669.db2.gz GZQXGUHMLIYBQT-UHFFFAOYSA-N -1 3 373.387 2.021 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000125505845 543886058 /nfs/dbraw/zinc/88/60/58/543886058.db2.gz KCCDEWODOCQBTR-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM CN(C)Cc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128563866 544059820 /nfs/dbraw/zinc/05/98/20/544059820.db2.gz MGBHWZISWWELOZ-UHFFFAOYSA-N -1 3 367.402 2.274 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)Cc1ccccc1 ZINC000129159148 544094495 /nfs/dbraw/zinc/09/44/95/544094495.db2.gz DLMJIYJTGZYPJX-NHYWBVRUSA-N -1 3 368.386 2.004 20 5 FEBDHM Cc1c(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000130291402 544145532 /nfs/dbraw/zinc/14/55/32/544145532.db2.gz KNRXAVIFEAMBON-UHFFFAOYSA-N -1 3 352.354 2.188 20 5 FEBDHM Cc1c(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000130291402 544145535 /nfs/dbraw/zinc/14/55/35/544145535.db2.gz KNRXAVIFEAMBON-UHFFFAOYSA-N -1 3 352.354 2.188 20 5 FEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000553438905 674261807 /nfs/dbraw/zinc/26/18/07/674261807.db2.gz CLDDVDIAMHWCRA-QMMMGPOBSA-N -1 3 370.412 2.049 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c1 ZINC000180218405 327676915 /nfs/dbraw/zinc/67/69/15/327676915.db2.gz OTDRNQFCGXWSSC-PHIMTYICSA-N -1 3 362.835 2.386 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C[C@@H](C)O)c1 ZINC000183717418 327831985 /nfs/dbraw/zinc/83/19/85/327831985.db2.gz MFLMLLFZFLIWRT-VHSXEESVSA-N -1 3 350.824 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c(Cl)c1 ZINC000184276473 327859738 /nfs/dbraw/zinc/85/97/38/327859738.db2.gz UWGVDINPYLLLHQ-LLVKDONJSA-N -1 3 360.775 2.243 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)cc1C ZINC000184282208 327859939 /nfs/dbraw/zinc/85/99/39/327859939.db2.gz SNMHHFDZOMJROA-LBPRGKRZSA-N -1 3 354.384 2.207 20 5 FEBDHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188214923 328073898 /nfs/dbraw/zinc/07/38/98/328073898.db2.gz DPKCKWJFMBKIEO-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000190155021 328191498 /nfs/dbraw/zinc/19/14/98/328191498.db2.gz IYFGNLKBYMKVJG-UONOGXRCSA-N -1 3 354.428 2.448 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193562985 328381926 /nfs/dbraw/zinc/38/19/26/328381926.db2.gz ICOXZZVTNNVJNX-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000077277989 324983927 /nfs/dbraw/zinc/98/39/27/324983927.db2.gz MCRRKIPABZEEIJ-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000116922498 326042215 /nfs/dbraw/zinc/04/22/15/326042215.db2.gz PJWIWIXHUVLEDP-UHFFFAOYSA-N -1 3 367.402 2.110 20 5 FEBDHM Cc1cc(F)ccc1CNCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922531 326042296 /nfs/dbraw/zinc/04/22/96/326042296.db2.gz VGISNJQQVODJQP-UHFFFAOYSA-N -1 3 367.402 2.110 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccnc2N(C)C)c1C ZINC000119648519 326184046 /nfs/dbraw/zinc/18/40/46/326184046.db2.gz ATBJJTIVRSMXSG-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1S(C)(=O)=O ZINC000122391658 326394938 /nfs/dbraw/zinc/39/49/38/326394938.db2.gz AQNXUEBJWBRHLN-UHFFFAOYSA-N -1 3 374.378 2.435 20 5 FEBDHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000126407499 326488461 /nfs/dbraw/zinc/48/84/61/326488461.db2.gz WKOIJEJFZCHRLQ-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178831119 327609862 /nfs/dbraw/zinc/60/98/62/327609862.db2.gz DFPXLFVMDJDZLR-UHFFFAOYSA-N -1 3 370.349 2.301 20 5 FEBDHM CSC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCOCC1 ZINC000266125564 329192538 /nfs/dbraw/zinc/19/25/38/329192538.db2.gz ADHUTNCGSGFGAO-UHFFFAOYSA-N -1 3 360.457 2.094 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000266190703 329198814 /nfs/dbraw/zinc/19/88/14/329198814.db2.gz BTZJXDJADUZPMH-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM O=C(NCC1(N2CCCCC2)CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269168086 329492849 /nfs/dbraw/zinc/49/28/49/329492849.db2.gz GIQUKBGKFNSZFC-UHFFFAOYSA-N -1 3 363.414 2.065 20 5 FEBDHM COCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269456885 329521979 /nfs/dbraw/zinc/52/19/79/329521979.db2.gz FOKHARJRWQQIDU-UHFFFAOYSA-N -1 3 367.221 2.062 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000155329845 545511582 /nfs/dbraw/zinc/51/15/82/545511582.db2.gz RUENSFJENPPSQP-AWEZNQCLSA-N -1 3 354.384 2.303 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000161060172 546097123 /nfs/dbraw/zinc/09/71/23/546097123.db2.gz BGAJSUZWQIIHIU-ZDUSSCGKSA-N -1 3 370.814 2.130 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C ZINC000480727263 561215305 /nfs/dbraw/zinc/21/53/05/561215305.db2.gz JYMSKCVGPLAWLG-GFCCVEGCSA-N -1 3 358.416 2.302 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000480731400 561215540 /nfs/dbraw/zinc/21/55/40/561215540.db2.gz QOJITXDPOCURLQ-SKDRFNHKSA-N -1 3 370.349 2.192 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000480859025 561218498 /nfs/dbraw/zinc/21/84/98/561218498.db2.gz WEMBKNAWMGSMOB-UHFFFAOYSA-N -1 3 360.395 2.231 20 5 FEBDHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000480864882 561218735 /nfs/dbraw/zinc/21/87/35/561218735.db2.gz BDGMHFMIJTTWNY-LSDHHAIUSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC(C)CC2)c1C ZINC000480950179 561220985 /nfs/dbraw/zinc/22/09/85/561220985.db2.gz HWFJTXCUIOTWGL-UHFFFAOYSA-N -1 3 355.460 2.222 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000480949773 561220990 /nfs/dbraw/zinc/22/09/90/561220990.db2.gz HUBLDEKGCJOPNJ-UHFFFAOYSA-N -1 3 372.443 2.477 20 5 FEBDHM CCC[C@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000480961250 561221312 /nfs/dbraw/zinc/22/13/12/561221312.db2.gz YWMKQCHGHVEXKK-HNNXBMFYSA-N -1 3 358.416 2.222 20 5 FEBDHM COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)s2)cc1 ZINC000481759468 561241087 /nfs/dbraw/zinc/24/10/87/561241087.db2.gz XCMLOKQTEISSGR-UHFFFAOYSA-N -1 3 360.355 2.108 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485146455 561313826 /nfs/dbraw/zinc/31/38/26/561313826.db2.gz XGSMKPBOVBCJMY-UHFFFAOYSA-N -1 3 367.325 2.351 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485146455 561313827 /nfs/dbraw/zinc/31/38/27/561313827.db2.gz XGSMKPBOVBCJMY-UHFFFAOYSA-N -1 3 367.325 2.351 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485146455 561313828 /nfs/dbraw/zinc/31/38/28/561313828.db2.gz XGSMKPBOVBCJMY-UHFFFAOYSA-N -1 3 367.325 2.351 20 5 FEBDHM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000185446291 547985459 /nfs/dbraw/zinc/98/54/59/547985459.db2.gz FUOYAVRMCABKQN-HNNXBMFYSA-N -1 3 370.409 2.432 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000485490730 561320328 /nfs/dbraw/zinc/32/03/28/561320328.db2.gz LLFZALJMUHLYIP-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM O=C(Nc1cn(Cc2ccccc2)nn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000187007964 548239699 /nfs/dbraw/zinc/23/96/99/548239699.db2.gz XZFODBKZZNBIBF-UHFFFAOYSA-N -1 3 363.337 2.363 20 5 FEBDHM COc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc([N+](=O)[O-])c1C ZINC000189367510 548301500 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COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000285987693 551835347 /nfs/dbraw/zinc/83/53/47/551835347.db2.gz IBKXZSUJEXZJTB-OAHLLOKOSA-N -1 3 359.382 2.342 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000289718240 552367479 /nfs/dbraw/zinc/36/74/79/552367479.db2.gz YXBDWGLDQRINLB-VIFPVBQESA-N -1 3 356.322 2.317 20 5 FEBDHM Cc1sccc1CNCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000293451760 552825385 /nfs/dbraw/zinc/82/53/85/552825385.db2.gz COWKPXITGQLYBU-UHFFFAOYSA-N -1 3 355.441 2.033 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)nc1C ZINC000502422417 561618282 /nfs/dbraw/zinc/61/82/82/561618282.db2.gz IBUNUXWILCDDON-UHFFFAOYSA-N -1 3 366.443 2.421 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cn2ccsc2n1 ZINC000503234862 561637534 /nfs/dbraw/zinc/63/75/34/561637534.db2.gz JDZBJVDKJOPBNB-UHFFFAOYSA-N -1 3 352.397 2.091 20 5 FEBDHM NC(=O)[N-]C(=O)OCCCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000298332193 553413223 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CN(C)CCOc1ccc(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000511181407 561860244 /nfs/dbraw/zinc/86/02/44/561860244.db2.gz FULPBNXPQZIXQC-UHFFFAOYSA-N -1 3 373.409 2.213 20 5 FEBDHM O=C(NCc1nc(-c2ccc([O-])cc2)no1)NCc1ccc([N+](=O)[O-])cc1 ZINC000350580116 554799947 /nfs/dbraw/zinc/79/99/47/554799947.db2.gz PFUGURJNTUUZCW-UHFFFAOYSA-N -1 3 369.337 2.350 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c(C)o1 ZINC000350826003 554816480 /nfs/dbraw/zinc/81/64/80/554816480.db2.gz WDUQYCWOBUBBJV-UHFFFAOYSA-N -1 3 370.368 2.183 20 5 FEBDHM O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000365231609 555517917 /nfs/dbraw/zinc/51/79/17/555517917.db2.gz XRMDKZSSVXZQLG-OAHLLOKOSA-N -1 3 370.409 2.337 20 5 FEBDHM COc1cc(CNCc2ccc(C[S@](C)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000513068647 561924020 /nfs/dbraw/zinc/92/40/20/561924020.db2.gz KNAGASKBAKQOIQ-VWLOTQADSA-N -1 3 364.423 2.477 20 5 FEBDHM CS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000513627540 561945104 /nfs/dbraw/zinc/94/51/04/561945104.db2.gz UJWZGYJIXHCEGC-UHFFFAOYSA-N -1 3 354.315 2.095 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000515196335 562000223 /nfs/dbraw/zinc/00/02/23/562000223.db2.gz PYJTXXRIISHEEZ-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM Cc1nnc2n1CCC[C@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000370050880 556767298 /nfs/dbraw/zinc/76/72/98/556767298.db2.gz TWPHYXMOYWIBGU-GFCCVEGCSA-N -1 3 351.313 2.238 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000371067040 557064135 /nfs/dbraw/zinc/06/41/35/557064135.db2.gz BWGGBSVBQWBDDR-DFBGVHRSSA-N -1 3 370.427 2.085 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnc2n1CCCC2 ZINC000371235109 557115093 /nfs/dbraw/zinc/11/50/93/557115093.db2.gz IRHNAIZZYINQOD-UHFFFAOYSA-N -1 3 352.354 2.770 20 5 FEBDHM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C2 ZINC000377187837 558284663 /nfs/dbraw/zinc/28/46/63/558284663.db2.gz 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COc1cc(CNCc2n[nH]cc2Br)c([N+](=O)[O-])cc1[O-] ZINC000524114999 562224116 /nfs/dbraw/zinc/22/41/16/562224116.db2.gz XMDNGMDMYNBDSI-UHFFFAOYSA-N -1 3 357.164 2.084 20 5 FEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CC(C)C ZINC000525127150 562240950 /nfs/dbraw/zinc/24/09/50/562240950.db2.gz RWWALKNEUAYMBW-ZDUSSCGKSA-N -1 3 372.443 2.325 20 5 FEBDHM Cn1[n-]c(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000412259832 559023185 /nfs/dbraw/zinc/02/31/85/559023185.db2.gz MJVCXACBJVOVFD-WDEREUQCSA-N -1 3 352.297 2.672 20 5 FEBDHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000414470433 559167060 /nfs/dbraw/zinc/16/70/60/559167060.db2.gz OSPLWVQYDLLUFL-LLVKDONJSA-N -1 3 366.443 2.331 20 5 FEBDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)cn1C ZINC000416373658 559308302 /nfs/dbraw/zinc/30/83/02/559308302.db2.gz RKOPJSWWBKXDJL-LLVKDONJSA-N -1 3 352.416 2.491 20 5 FEBDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccccc3[N+](=O)[O-])cn21 ZINC000416374979 559308442 /nfs/dbraw/zinc/30/84/42/559308442.db2.gz QWLIKSQLUJUGCQ-NSHDSACASA-N -1 3 350.400 2.167 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CCOCC1 ZINC000416390203 559309580 /nfs/dbraw/zinc/30/95/80/559309580.db2.gz ZSMMMAWTQXBGRN-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416456351 559314290 /nfs/dbraw/zinc/31/42/90/559314290.db2.gz GYODIVJUTDQFLH-GFCCVEGCSA-N -1 3 370.349 2.299 20 5 FEBDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416464874 559315223 /nfs/dbraw/zinc/31/52/23/559315223.db2.gz XVYRKBJLSLTGBQ-KCJUWKMLSA-N -1 3 370.349 2.299 20 5 FEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000416552318 559321253 /nfs/dbraw/zinc/32/12/53/559321253.db2.gz BQSKUEHNSLNXKI-LSDHHAIUSA-N -1 3 354.428 2.448 20 5 FEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000416552976 559321334 /nfs/dbraw/zinc/32/13/34/559321334.db2.gz BXAXDOWIBSEIDQ-KGLIPLIRSA-N -1 3 354.428 2.448 20 5 FEBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000416579816 559323156 /nfs/dbraw/zinc/32/31/56/559323156.db2.gz OXHMIPWORXQJRZ-ZBFHGGJFSA-N -1 3 362.407 2.494 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CO)c1ccc(F)cc1 ZINC000416606670 559324741 /nfs/dbraw/zinc/32/47/41/559324741.db2.gz GYOQZYLVPBGTNO-CYBMUJFWSA-N -1 3 368.386 2.097 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(Br)c1 ZINC000416645255 559327210 /nfs/dbraw/zinc/32/72/10/559327210.db2.gz JNYSIHAUTXWIJB-MRVPVSSYSA-N -1 3 361.217 2.436 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CO)CC1CCCCC1 ZINC000416661411 559328369 /nfs/dbraw/zinc/32/83/69/559328369.db2.gz OTCNIBBLMOYIIM-ZDUSSCGKSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1c(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cccc1[N+](=O)[O-] ZINC000425924172 559725250 /nfs/dbraw/zinc/72/52/50/559725250.db2.gz UHEZYFCMYUWSED-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000427275779 559751896 /nfs/dbraw/zinc/75/18/96/559751896.db2.gz URHYAWXYXUILMM-XCMOZONUSA-N -1 3 374.484 2.261 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000428381023 559774336 /nfs/dbraw/zinc/77/43/36/559774336.db2.gz MBHAEAUMHOVFIZ-NSHDSACASA-N -1 3 368.798 2.400 20 5 FEBDHM Cc1nc([N-]C(=O)COc2ccc([N+](=O)[O-])c(C)c2)n(-c2ccccc2)n1 ZINC000430807559 559828532 /nfs/dbraw/zinc/82/85/32/559828532.db2.gz QQDUTIGAJXADBF-UHFFFAOYSA-N -1 3 367.365 2.232 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000431576855 559841742 /nfs/dbraw/zinc/84/17/42/559841742.db2.gz VMYGNTCTOWOXBX-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM O=C(Nc1cc(F)ccc1[O-])c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431858247 559847545 /nfs/dbraw/zinc/84/75/45/559847545.db2.gz KBBCHEORXBROJD-UHFFFAOYSA-N -1 3 373.296 2.345 20 5 FEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n(C2CCN(C)CC2)n1 ZINC000436990195 559958871 /nfs/dbraw/zinc/95/88/71/559958871.db2.gz PLQVRHCGPZTMRF-UHFFFAOYSA-N -1 3 359.386 2.324 20 5 FEBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443324371 560080002 /nfs/dbraw/zinc/08/00/02/560080002.db2.gz XUAOEQKJPBGVNC-KOLCDFICSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000445730949 560134425 /nfs/dbraw/zinc/13/44/25/560134425.db2.gz DAWAOIPFRNECEF-OAHLLOKOSA-N -1 3 373.394 2.089 20 5 FEBDHM COCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447024552 560155351 /nfs/dbraw/zinc/15/53/51/560155351.db2.gz YFGJNQKTNDLWPC-UHFFFAOYSA-N -1 3 367.221 2.061 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451605206 560316969 /nfs/dbraw/zinc/31/69/69/560316969.db2.gz CULPORCAZUIQPQ-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000451819684 560330646 /nfs/dbraw/zinc/33/06/46/560330646.db2.gz BIVDWJLBNRXPBY-FZMZJTMJSA-N -1 3 360.407 2.463 20 5 FEBDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000451819686 560330721 /nfs/dbraw/zinc/33/07/21/560330721.db2.gz BIVDWJLBNRXPBY-SMDDNHRTSA-N -1 3 360.407 2.463 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000451832396 560331238 /nfs/dbraw/zinc/33/12/38/560331238.db2.gz GFYIBRBRFCDCCJ-LBPRGKRZSA-N -1 3 364.445 2.219 20 5 FEBDHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451977393 560341679 /nfs/dbraw/zinc/34/16/79/560341679.db2.gz NJJHPJJDYDMSDV-LLVKDONJSA-N -1 3 368.333 2.317 20 5 FEBDHM COC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc1C(=O)OC ZINC000464867433 560854031 /nfs/dbraw/zinc/85/40/31/560854031.db2.gz CRZZFGJERSQFFL-UHFFFAOYSA-N -1 3 364.335 2.482 20 5 FEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000467303031 560908269 /nfs/dbraw/zinc/90/82/69/560908269.db2.gz QZLKQPWNMRXBAA-UHFFFAOYSA-N -1 3 367.358 2.196 20 5 FEBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1cc([N+](=O)[O-])cnc1[O-] ZINC000467713266 560915564 /nfs/dbraw/zinc/91/55/64/560915564.db2.gz CPLGYGQWBLXNLE-UHFFFAOYSA-N -1 3 361.264 2.616 20 5 FEBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469363730 560953426 /nfs/dbraw/zinc/95/34/26/560953426.db2.gz PYNZGHJVBWYMMH-MNOVXSKESA-N -1 3 358.416 2.484 20 5 FEBDHM O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476982252 561133525 /nfs/dbraw/zinc/13/35/25/561133525.db2.gz JXZMSLAVQRTCTH-UHFFFAOYSA-N -1 3 372.384 2.375 20 5 FEBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000477180701 561138597 /nfs/dbraw/zinc/13/85/97/561138597.db2.gz UXHFBAZPOSRBNA-IJLUTSLNSA-N -1 3 370.427 2.469 20 5 FEBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000736843295 598914264 /nfs/dbraw/zinc/91/42/64/598914264.db2.gz KCWKGVFQKYJFQQ-ZDUSSCGKSA-N -1 3 351.370 2.164 20 5 FEBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000736843295 598914265 /nfs/dbraw/zinc/91/42/65/598914265.db2.gz KCWKGVFQKYJFQQ-ZDUSSCGKSA-N -1 3 351.370 2.164 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000822270846 607258549 /nfs/dbraw/zinc/25/85/49/607258549.db2.gz AGPMIRBTAXKVPN-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000822270846 607258550 /nfs/dbraw/zinc/25/85/50/607258550.db2.gz AGPMIRBTAXKVPN-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM Cc1nc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2n1C ZINC000822458626 599108941 /nfs/dbraw/zinc/10/89/41/599108941.db2.gz GGUMRQTUNRGPOM-UHFFFAOYSA-N -1 3 351.330 2.109 20 5 FEBDHM Cc1nc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2n1C ZINC000822458626 599108943 /nfs/dbraw/zinc/10/89/43/599108943.db2.gz GGUMRQTUNRGPOM-UHFFFAOYSA-N -1 3 351.330 2.109 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(-c4nnn[n-]4)cc3)cc2N1 ZINC000738302464 598235254 /nfs/dbraw/zinc/23/52/54/598235254.db2.gz KLFCNAZQQNPARW-UHFFFAOYSA-N -1 3 352.310 2.452 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(-c4nn[n-]n4)cc3)cc2N1 ZINC000738302464 598235255 /nfs/dbraw/zinc/23/52/55/598235255.db2.gz KLFCNAZQQNPARW-UHFFFAOYSA-N -1 3 352.310 2.452 20 5 FEBDHM Cc1cnn([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737442467 598339442 /nfs/dbraw/zinc/33/94/42/598339442.db2.gz GGCOGUGGYMHPLH-CYBMUJFWSA-N -1 3 354.374 2.121 20 5 FEBDHM Cc1cnn([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737442467 598339445 /nfs/dbraw/zinc/33/94/45/598339445.db2.gz GGCOGUGGYMHPLH-CYBMUJFWSA-N -1 3 354.374 2.121 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCCNc1ccccn1 ZINC000738360361 598375139 /nfs/dbraw/zinc/37/51/39/598375139.db2.gz VWYUCLWIAGGJTP-UHFFFAOYSA-N -1 3 354.374 2.474 20 5 FEBDHM C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736156859 598483245 /nfs/dbraw/zinc/48/32/45/598483245.db2.gz YJOZFLOGPMUYNP-LLVKDONJSA-N -1 3 368.353 2.491 20 5 FEBDHM C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736156859 598483246 /nfs/dbraw/zinc/48/32/46/598483246.db2.gz YJOZFLOGPMUYNP-LLVKDONJSA-N -1 3 368.353 2.491 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(N)c([N+](=O)[O-])c1 ZINC000737243766 598531642 /nfs/dbraw/zinc/53/16/42/598531642.db2.gz WCSGNLOGDSFQGW-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(N)c([N+](=O)[O-])c1 ZINC000737243766 598531644 /nfs/dbraw/zinc/53/16/44/598531644.db2.gz WCSGNLOGDSFQGW-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM C[C@H]1Oc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2NC1=O ZINC000820819967 599369903 /nfs/dbraw/zinc/36/99/03/599369903.db2.gz LPRXJVLFPTUZQC-MRVPVSSYSA-N -1 3 367.325 2.238 20 5 FEBDHM C[C@H]1Oc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2NC1=O ZINC000820819967 599369907 /nfs/dbraw/zinc/36/99/07/599369907.db2.gz LPRXJVLFPTUZQC-MRVPVSSYSA-N -1 3 367.325 2.238 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821845138 599537070 /nfs/dbraw/zinc/53/70/70/599537070.db2.gz BJDZJYYOXIFRRS-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821845138 599537072 /nfs/dbraw/zinc/53/70/72/599537072.db2.gz BJDZJYYOXIFRRS-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[C@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645967 599575080 /nfs/dbraw/zinc/57/50/80/599575080.db2.gz YJCOSJGZPZRSJE-JQWIXIFHSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[C@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645967 599575083 /nfs/dbraw/zinc/57/50/83/599575083.db2.gz YJCOSJGZPZRSJE-JQWIXIFHSA-N -1 3 369.385 2.286 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000826253932 607410067 /nfs/dbraw/zinc/41/00/67/607410067.db2.gz LMPZSGXEWVQDRO-UHFFFAOYSA-N -1 3 354.326 2.144 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000826253932 607410069 /nfs/dbraw/zinc/41/00/69/607410069.db2.gz LMPZSGXEWVQDRO-UHFFFAOYSA-N -1 3 354.326 2.144 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1-c1nnn[n-]1 ZINC000826201494 607585202 /nfs/dbraw/zinc/58/52/02/607585202.db2.gz SAMAOEFECMVRFN-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1-c1nn[n-]n1 ZINC000826201494 607585204 /nfs/dbraw/zinc/58/52/04/607585204.db2.gz SAMAOEFECMVRFN-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824392835 607733140 /nfs/dbraw/zinc/73/31/40/607733140.db2.gz OUYOVTAUMCAARV-LDYMZIIASA-N -1 3 361.387 2.156 20 5 FEBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824392835 607733142 /nfs/dbraw/zinc/73/31/42/607733142.db2.gz OUYOVTAUMCAARV-LDYMZIIASA-N -1 3 361.387 2.156 20 5 FEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000823112401 606142678 /nfs/dbraw/zinc/14/26/78/606142678.db2.gz YVEXOENCWRBYQR-UHFFFAOYSA-N -1 3 353.338 2.103 20 5 FEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000823112401 606142679 /nfs/dbraw/zinc/14/26/79/606142679.db2.gz YVEXOENCWRBYQR-UHFFFAOYSA-N -1 3 353.338 2.103 20 5 FEBDHM C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820495991 606340364 /nfs/dbraw/zinc/34/03/64/606340364.db2.gz KVWRYWLXYSADTC-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820495991 606340366 /nfs/dbraw/zinc/34/03/66/606340366.db2.gz KVWRYWLXYSADTC-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640152 606428100 /nfs/dbraw/zinc/42/81/00/606428100.db2.gz VKIGWMLRRRLTKV-OAHLLOKOSA-N -1 3 366.381 2.223 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640152 606428102 /nfs/dbraw/zinc/42/81/02/606428102.db2.gz VKIGWMLRRRLTKV-OAHLLOKOSA-N -1 3 366.381 2.223 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644228 606460169 /nfs/dbraw/zinc/46/01/69/606460169.db2.gz GZPBKVIWHUWUOC-UHFFFAOYSA-N -1 3 355.358 2.040 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644228 606460171 /nfs/dbraw/zinc/46/01/71/606460171.db2.gz GZPBKVIWHUWUOC-UHFFFAOYSA-N -1 3 355.358 2.040 20 5 FEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823431299 606562045 /nfs/dbraw/zinc/56/20/45/606562045.db2.gz PNDLGDCGKZZUKE-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823431299 606562047 /nfs/dbraw/zinc/56/20/47/606562047.db2.gz PNDLGDCGKZZUKE-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CC(C)CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820051634 606645498 /nfs/dbraw/zinc/64/54/98/606645498.db2.gz RTUQFXHHRGTTGW-UHFFFAOYSA-N -1 3 373.417 2.224 20 5 FEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823427032 606665839 /nfs/dbraw/zinc/66/58/39/606665839.db2.gz SBKOOZDESFGHOK-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823427032 606665840 /nfs/dbraw/zinc/66/58/40/606665840.db2.gz SBKOOZDESFGHOK-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cnn(Cc2ccccc2)c1 ZINC000823629850 606700646 /nfs/dbraw/zinc/70/06/46/606700646.db2.gz JOCQMCZMQOAOLK-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM CCc1nnc(NCc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1CC ZINC000821541924 606924325 /nfs/dbraw/zinc/92/43/25/606924325.db2.gz DAPADGGKSFXUSB-UHFFFAOYSA-N -1 3 354.374 2.302 20 5 FEBDHM CCc1nnc(NCc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1CC ZINC000821541924 606924328 /nfs/dbraw/zinc/92/43/28/606924328.db2.gz DAPADGGKSFXUSB-UHFFFAOYSA-N -1 3 354.374 2.302 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccsc3)C2)c(-c2nnn[n-]2)c1 ZINC000823640093 606949877 /nfs/dbraw/zinc/94/98/77/606949877.db2.gz SCNPQQSQDVIIGF-AWEZNQCLSA-N -1 3 358.383 2.414 20 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ZINC000825385303 607797643 /nfs/dbraw/zinc/79/76/43/607797643.db2.gz BUOAPUMWSWGFMD-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825609014 607871407 /nfs/dbraw/zinc/87/14/07/607871407.db2.gz HVYCTHMHSFYMHV-AWEZNQCLSA-N -1 3 371.353 2.286 20 5 FEBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825609014 607871408 /nfs/dbraw/zinc/87/14/08/607871408.db2.gz HVYCTHMHSFYMHV-AWEZNQCLSA-N -1 3 371.353 2.286 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(F)cc1F ZINC000826497888 607873485 /nfs/dbraw/zinc/87/34/85/607873485.db2.gz XSZQWHVKQMATAR-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(F)cc1F ZINC000826497888 607873486 /nfs/dbraw/zinc/87/34/86/607873486.db2.gz XSZQWHVKQMATAR-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000826499521 607876821 /nfs/dbraw/zinc/87/68/21/607876821.db2.gz MAIOTDRXQUAMDS-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000826499521 607876822 /nfs/dbraw/zinc/87/68/22/607876822.db2.gz MAIOTDRXQUAMDS-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM CNc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826090659 607952184 /nfs/dbraw/zinc/95/21/84/607952184.db2.gz KUQCZUCIUPRARC-UHFFFAOYSA-N -1 3 365.353 2.020 20 5 FEBDHM CNc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826090659 607952185 /nfs/dbraw/zinc/95/21/85/607952185.db2.gz KUQCZUCIUPRARC-UHFFFAOYSA-N -1 3 365.353 2.020 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826499656 607968681 /nfs/dbraw/zinc/96/86/81/607968681.db2.gz RGOABJNJCLIRFC-UHFFFAOYSA-N -1 3 355.314 2.338 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826499656 607968682 /nfs/dbraw/zinc/96/86/82/607968682.db2.gz RGOABJNJCLIRFC-UHFFFAOYSA-N -1 3 355.314 2.338 20 5 FEBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826464392 608143609 /nfs/dbraw/zinc/14/36/09/608143609.db2.gz UZNFUHNEVCTIPA-UHFFFAOYSA-N -1 3 360.355 2.052 20 5 FEBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826464392 608143610 /nfs/dbraw/zinc/14/36/10/608143610.db2.gz UZNFUHNEVCTIPA-UHFFFAOYSA-N -1 3 360.355 2.052 20 5 FEBDHM CC(C)CO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824267109 608162477 /nfs/dbraw/zinc/16/24/77/608162477.db2.gz YEJOVCFFMSDARB-QMMMGPOBSA-N -1 3 368.781 2.428 20 5 FEBDHM CC(C)CO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824267109 608162478 /nfs/dbraw/zinc/16/24/78/608162478.db2.gz YEJOVCFFMSDARB-QMMMGPOBSA-N -1 3 368.781 2.428 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000826173232 608348789 /nfs/dbraw/zinc/34/87/89/608348789.db2.gz UJADHZDJQHIZBZ-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000826173232 608348790 /nfs/dbraw/zinc/34/87/90/608348790.db2.gz UJADHZDJQHIZBZ-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500800 608585126 /nfs/dbraw/zinc/58/51/26/608585126.db2.gz MQOGNXYCFAFDAK-ZDUSSCGKSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500800 608585128 /nfs/dbraw/zinc/58/51/28/608585128.db2.gz MQOGNXYCFAFDAK-ZDUSSCGKSA-N -1 3 358.383 2.414 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000825977105 609436606 /nfs/dbraw/zinc/43/66/06/609436606.db2.gz XDMMTTYJZRTYNA-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000825977105 609436608 /nfs/dbraw/zinc/43/66/08/609436608.db2.gz XDMMTTYJZRTYNA-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826293314 609466940 /nfs/dbraw/zinc/46/69/40/609466940.db2.gz KTFDUHKAUZTDTD-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826293314 609466942 /nfs/dbraw/zinc/46/69/42/609466942.db2.gz KTFDUHKAUZTDTD-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022297 674899755 /nfs/dbraw/zinc/89/97/55/674899755.db2.gz NVTFZHXSRODAEY-SECBINFHSA-N -1 3 365.814 2.007 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815034906 674904314 /nfs/dbraw/zinc/90/43/14/674904314.db2.gz GCYJAAXZQRKKKP-UHFFFAOYSA-N -1 3 367.830 2.396 20 5 FEBDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000588862787 672486605 /nfs/dbraw/zinc/48/66/05/672486605.db2.gz SWBMHZVYYUKVBZ-BDAKNGLRSA-N -1 3 364.383 2.150 20 5 FEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000591332010 672671930 /nfs/dbraw/zinc/67/19/30/672671930.db2.gz VGVLHRMVZIEQRU-QMMMGPOBSA-N -1 3 356.322 2.470 20 5 FEBDHM O=c1[n-]nc(SCc2cc(F)ccc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000193227701 672717145 /nfs/dbraw/zinc/71/71/45/672717145.db2.gz CYZOYMCBHFSTJO-LLVKDONJSA-N -1 3 354.363 2.090 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000593560916 672943355 /nfs/dbraw/zinc/94/33/55/672943355.db2.gz VZDWRYSUBZYYFM-MMPTUQATSA-N -1 3 363.395 2.221 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000733868545 673441324 /nfs/dbraw/zinc/44/13/24/673441324.db2.gz KYZXLGPABQKUIR-UHFFFAOYSA-N -1 3 365.411 2.466 20 5 FEBDHM Cc1ncc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000542385071 673578715 /nfs/dbraw/zinc/57/87/15/673578715.db2.gz IBOVIDWXNBCGCO-QMMMGPOBSA-N -1 3 366.761 2.136 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000738352206 673618362 /nfs/dbraw/zinc/61/83/62/673618362.db2.gz FHVUCRSEDUEQPL-UHFFFAOYSA-N -1 3 356.791 2.034 20 5 FEBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC2)cn1 ZINC000599527204 673688449 /nfs/dbraw/zinc/68/84/49/673688449.db2.gz HMOXIOWAWWTBKJ-AWEZNQCLSA-N -1 3 369.424 2.490 20 5 FEBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nonc1C ZINC000762528951 680752614 /nfs/dbraw/zinc/75/26/14/680752614.db2.gz PVQZYJBVGOFKPA-UHFFFAOYSA-N -1 3 366.355 2.194 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000764258097 680804553 /nfs/dbraw/zinc/80/45/53/680804553.db2.gz CKPULYLCJXTZPC-UHFFFAOYSA-N -1 3 370.774 2.458 20 5 FEBDHM CCOC(=O)c1sc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])nc1C ZINC000755681572 680428242 /nfs/dbraw/zinc/42/82/42/680428242.db2.gz KRGFSWFGLXCXHX-UHFFFAOYSA-N -1 3 353.360 2.074 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CC2(Cl)Cl)nc1 ZINC000846024847 681174979 /nfs/dbraw/zinc/17/49/79/681174979.db2.gz YIVQXSUVICVNQH-MRVPVSSYSA-N -1 3 354.215 2.242 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000795816702 683095133 /nfs/dbraw/zinc/09/51/33/683095133.db2.gz XLFTWWQZZNRVSR-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)C ZINC000795939474 683110283 /nfs/dbraw/zinc/11/02/83/683110283.db2.gz COBRKRPIJUTMQW-UHFFFAOYSA-N -1 3 367.830 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1 ZINC000797460158 683253154 /nfs/dbraw/zinc/25/31/54/683253154.db2.gz LZSCDOJISRJMOM-GXSJLCMTSA-N -1 3 361.217 2.434 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000044790300 540141752 /nfs/dbraw/zinc/14/17/52/540141752.db2.gz NNXJAEBGQUITES-UHFFFAOYSA-N -1 3 366.786 2.374 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)N1CCCCC1 ZINC000046034218 540238576 /nfs/dbraw/zinc/23/85/76/540238576.db2.gz JNAURAZBYIIOOQ-UHFFFAOYSA-N -1 3 355.460 2.446 20 5 FEBDHM Cc1c(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cccc1[N+](=O)[O-] ZINC000046411483 540255829 /nfs/dbraw/zinc/25/58/29/540255829.db2.gz RAESTISHVTZNIA-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1OC ZINC000056109573 540703912 /nfs/dbraw/zinc/70/39/12/540703912.db2.gz OXUDMNGTGVCHBZ-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1OC ZINC000056118476 540704462 /nfs/dbraw/zinc/70/44/62/540704462.db2.gz GXXGESGDFNFKJA-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000065685473 541253514 /nfs/dbraw/zinc/25/35/14/541253514.db2.gz NOEGOLOQSMBWQA-UHFFFAOYSA-N -1 3 365.411 2.429 20 5 FEBDHM O=C([N-]c1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc([N+](=O)[O-])o1 ZINC000068040930 541540818 /nfs/dbraw/zinc/54/08/18/541540818.db2.gz LISGHTHIPDCHLP-UHFFFAOYSA-N -1 3 355.306 2.446 20 5 FEBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000068182657 541559225 /nfs/dbraw/zinc/55/92/25/541559225.db2.gz ZXVRJNVUYXYAQF-UHFFFAOYSA-N -1 3 355.148 2.207 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000069040149 541651821 /nfs/dbraw/zinc/65/18/21/541651821.db2.gz WRFZBNYSZLXTOJ-UHFFFAOYSA-N -1 3 358.379 2.259 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000545436540 541969857 /nfs/dbraw/zinc/96/98/57/541969857.db2.gz CVYUQBFTPFLXLF-UHFFFAOYSA-N -1 3 360.280 2.493 20 5 FEBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000107704362 543275972 /nfs/dbraw/zinc/27/59/72/543275972.db2.gz RNJQSPCSAGYSPM-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM Cc1cc(=O)n(Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000128466484 544054154 /nfs/dbraw/zinc/05/41/54/544054154.db2.gz NOKLYAUWZHWSPS-UHFFFAOYSA-N -1 3 352.306 2.096 20 5 FEBDHM CN(C)CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000130417264 544149908 /nfs/dbraw/zinc/14/99/08/544149908.db2.gz VZOZPZDUTQJXLU-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM Cc1ccc(F)cc1CNCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180224770 327677147 /nfs/dbraw/zinc/67/71/47/327677147.db2.gz SLRVJWCJUIBMSB-UHFFFAOYSA-N -1 3 367.402 2.110 20 5 FEBDHM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000183344325 327812725 /nfs/dbraw/zinc/81/27/25/327812725.db2.gz YYJTXRBTYKELNT-UHFFFAOYSA-N -1 3 355.310 2.033 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000186255447 327954070 /nfs/dbraw/zinc/95/40/70/327954070.db2.gz XSMFWWXCZRMHAR-SECBINFHSA-N -1 3 355.347 2.177 20 5 FEBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000188542234 328093937 /nfs/dbraw/zinc/09/39/37/328093937.db2.gz NECGUDPYGNGTJF-YUMQZZPRSA-N -1 3 367.221 2.059 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1 ZINC000188897997 328116372 /nfs/dbraw/zinc/11/63/72/328116372.db2.gz BSYXWEFWPSYRQJ-QWRGUYRKSA-N -1 3 362.835 2.386 20 5 FEBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000189159853 328132492 /nfs/dbraw/zinc/13/24/92/328132492.db2.gz YTWHWCFRURMMPQ-NSHDSACASA-N -1 3 351.384 2.346 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000189819417 328169785 /nfs/dbraw/zinc/16/97/85/328169785.db2.gz QISHUSPNDFZWQV-UHFFFAOYSA-N -1 3 353.444 2.117 20 5 FEBDHM O=C(Nc1cnn(Cc2ccncc2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000195472145 328479213 /nfs/dbraw/zinc/47/92/13/328479213.db2.gz ANZCHQNEUVTADH-UHFFFAOYSA-N -1 3 363.337 2.363 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCn2cccn2)cc1[N+](=O)[O-] ZINC000083981333 325226098 /nfs/dbraw/zinc/22/60/98/325226098.db2.gz MTTHALAKHVMUSL-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM CCc1ccc([C@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015417 325351467 /nfs/dbraw/zinc/35/14/67/325351467.db2.gz JKKOOPYJDYKZOR-LBPRGKRZSA-N -1 3 367.427 2.379 20 5 FEBDHM Cn1c(=O)oc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000102375797 325491649 /nfs/dbraw/zinc/49/16/49/325491649.db2.gz LWERHOREMKRUKN-UHFFFAOYSA-N -1 3 353.294 2.168 20 5 FEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119138916 326131093 /nfs/dbraw/zinc/13/10/93/326131093.db2.gz NSMWGJLIRGWWSI-GFCCVEGCSA-N -1 3 350.824 2.324 20 5 FEBDHM O=c1ccn(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1[N+](=O)[O-] ZINC000130951545 326566308 /nfs/dbraw/zinc/56/63/08/326566308.db2.gz WJZLLCWTKSWVRF-UHFFFAOYSA-N -1 3 370.346 2.363 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131015748 326567472 /nfs/dbraw/zinc/56/74/72/326567472.db2.gz JHCUOYXYNDWGMX-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000159042296 326917087 /nfs/dbraw/zinc/91/70/87/326917087.db2.gz SRZCPTGXRZDKRA-AWEZNQCLSA-N -1 3 356.382 2.090 20 5 FEBDHM CCc1cnc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000173809781 327285764 /nfs/dbraw/zinc/28/57/64/327285764.db2.gz YSGMREQESASAPQ-UHFFFAOYSA-N -1 3 371.440 2.143 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])nc1C(C)(C)C ZINC000267118313 329293939 /nfs/dbraw/zinc/29/39/39/329293939.db2.gz OXEJXPHYJDRGPL-UHFFFAOYSA-N -1 3 367.387 2.419 20 5 FEBDHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n[n-]1 ZINC000268452557 329421331 /nfs/dbraw/zinc/42/13/31/329421331.db2.gz BFFROWBDUHECSY-SSDOTTSWSA-N -1 3 355.351 2.118 20 5 FEBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269767343 329546983 /nfs/dbraw/zinc/54/69/83/329546983.db2.gz NICZWXACDAHLQB-SSDOTTSWSA-N -1 3 369.262 2.387 20 5 FEBDHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000269802298 329550510 /nfs/dbraw/zinc/55/05/10/329550510.db2.gz SPOHWXOMSSXSTI-MRXNPFEDSA-N -1 3 368.411 2.132 20 5 FEBDHM CC(C)c1n[nH]c(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000273086958 329835866 /nfs/dbraw/zinc/83/58/66/329835866.db2.gz NEFBHWNQRBDXED-VIFPVBQESA-N -1 3 371.394 2.016 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C ZINC000479202914 561184317 /nfs/dbraw/zinc/18/43/17/561184317.db2.gz FEGTWASNZUCCHR-SNVBAGLBSA-N -1 3 374.415 2.002 20 5 FEBDHM Cc1c(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cccc1[N+](=O)[O-] ZINC000480560955 561211908 /nfs/dbraw/zinc/21/19/08/561211908.db2.gz WKMNFKBMDDJPKW-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000480866679 561218808 /nfs/dbraw/zinc/21/88/08/561218808.db2.gz BYXXCWAWNDQAML-GJZGRUSLSA-N -1 3 372.443 2.475 20 5 FEBDHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000480951389 561221044 /nfs/dbraw/zinc/22/10/44/561221044.db2.gz LHLHHYSKBIDJMB-RNCFNFMXSA-N -1 3 358.416 2.078 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2(OC)CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000480990308 561222255 /nfs/dbraw/zinc/22/22/55/561222255.db2.gz QLGVLHQNZAJDLW-UHFFFAOYSA-N -1 3 372.443 2.477 20 5 FEBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989260 561222358 /nfs/dbraw/zinc/22/23/58/561222358.db2.gz XZQURMSXDXAYND-CQSZACIVSA-N -1 3 355.460 2.364 20 5 FEBDHM CC1(C)C([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000481354169 561231380 /nfs/dbraw/zinc/23/13/80/561231380.db2.gz ZQJBXCLCGLILPR-UHFFFAOYSA-N -1 3 356.400 2.079 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C ZINC000481499912 561234367 /nfs/dbraw/zinc/23/43/67/561234367.db2.gz OEAINXYVEGRDKP-NSHDSACASA-N -1 3 360.432 2.069 20 5 FEBDHM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000181503085 547324601 /nfs/dbraw/zinc/32/46/01/547324601.db2.gz FHBNYMNHTNCDOH-UHFFFAOYSA-N -1 3 366.443 2.165 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCn2ccnc2)c1 ZINC000183360623 547645058 /nfs/dbraw/zinc/64/50/58/547645058.db2.gz FPUHREHERQZZQI-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484747667 561305126 /nfs/dbraw/zinc/30/51/26/561305126.db2.gz BIBFGTABQNPKCY-UHFFFAOYSA-N -1 3 352.253 2.184 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000193985285 548417903 /nfs/dbraw/zinc/41/79/03/548417903.db2.gz BCRWMFRKERXDAN-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000487114896 561364163 /nfs/dbraw/zinc/36/41/63/561364163.db2.gz OGHDOPVYGROXLU-MLGOLLRUSA-N -1 3 372.443 2.333 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCn2cccc2)c1 ZINC000487155292 561365147 /nfs/dbraw/zinc/36/51/47/561365147.db2.gz QVBQNEQSHNNGRH-UHFFFAOYSA-N -1 3 374.216 2.137 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245971203 549030141 /nfs/dbraw/zinc/03/01/41/549030141.db2.gz ALKFZCBSXQMNNN-LOWVWBTDSA-N -1 3 360.819 2.484 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000490178540 561428310 /nfs/dbraw/zinc/42/83/10/561428310.db2.gz NZJLTKFSJRFUSW-LBPRGKRZSA-N -1 3 373.818 2.422 20 5 FEBDHM CCOCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000268816861 550119400 /nfs/dbraw/zinc/11/94/00/550119400.db2.gz WAPFCEBBBAWALM-UHFFFAOYSA-N -1 3 372.443 2.479 20 5 FEBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000492334332 561450837 /nfs/dbraw/zinc/45/08/37/561450837.db2.gz NJWBAMOYTFEFQJ-UHFFFAOYSA-N 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C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278044300 550742445 /nfs/dbraw/zinc/74/24/45/550742445.db2.gz CHGFCDDBBXSDGU-CZUORRHYSA-N -1 3 370.409 2.336 20 5 FEBDHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000282775743 551269036 /nfs/dbraw/zinc/26/90/36/551269036.db2.gz OQFRWPMUUVJCGC-ZDUSSCGKSA-N -1 3 370.818 2.338 20 5 FEBDHM O=C1[N-]C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000499234877 561546437 /nfs/dbraw/zinc/54/64/37/561546437.db2.gz OPFGZDWGRVZJRG-AWEZNQCLSA-N -1 3 372.406 2.059 20 5 FEBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000500108028 561566052 /nfs/dbraw/zinc/56/60/52/561566052.db2.gz DRKIDZNVZCHLAH-CQSZACIVSA-N -1 3 355.460 2.446 20 5 FEBDHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000291980293 552681153 /nfs/dbraw/zinc/68/11/53/552681153.db2.gz RUMMITBVRGDBDL-UHFFFAOYSA-N -1 3 359.386 2.456 20 5 FEBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000292057101 552689191 /nfs/dbraw/zinc/68/91/91/552689191.db2.gz OGSNFRQDVQEYCN-UHFFFAOYSA-N -1 3 369.399 2.331 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000501407538 561596847 /nfs/dbraw/zinc/59/68/47/561596847.db2.gz RLDFVUDJQPOVRF-VXNVDRBHSA-N -1 3 356.372 2.403 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000293932958 552869029 /nfs/dbraw/zinc/86/90/29/552869029.db2.gz YZFQIPNOCNKVFF-NSHDSACASA-N -1 3 368.333 2.317 20 5 FEBDHM COc1cc(CNC[C@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000295138035 552962394 /nfs/dbraw/zinc/96/23/94/552962394.db2.gz PLCGCTWCMAWMSJ-CQSZACIVSA-N -1 3 350.346 2.141 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000295314812 552986014 /nfs/dbraw/zinc/98/60/14/552986014.db2.gz PDCDELVMFWGDHM-SECBINFHSA-N -1 3 350.824 2.244 20 5 FEBDHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295971569 553083382 /nfs/dbraw/zinc/08/33/82/553083382.db2.gz KLLHDHIFRKDSCM-ZETCQYMHSA-N -1 3 356.231 2.130 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)cc1[N+](=O)[O-] ZINC000295996761 553086872 /nfs/dbraw/zinc/08/68/72/553086872.db2.gz LWZAIYFQKXPQOR-GFCCVEGCSA-N -1 3 372.378 2.141 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)CCO)c1 ZINC000296097980 553104243 /nfs/dbraw/zinc/10/42/43/553104243.db2.gz GDQFCAGKIIORNY-SECBINFHSA-N -1 3 350.824 2.244 20 5 FEBDHM CC(C)(C)c1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000297627981 553317467 /nfs/dbraw/zinc/31/74/67/553317467.db2.gz CBUNNMRKRNBKFY-UHFFFAOYSA-N -1 3 372.385 2.155 20 5 FEBDHM CC(C)(C)c1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000297627981 553317468 /nfs/dbraw/zinc/31/74/68/553317468.db2.gz CBUNNMRKRNBKFY-UHFFFAOYSA-N -1 3 372.385 2.155 20 5 FEBDHM CC(C)(C)c1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000297627981 553317469 /nfs/dbraw/zinc/31/74/69/553317469.db2.gz CBUNNMRKRNBKFY-UHFFFAOYSA-N -1 3 372.385 2.155 20 5 FEBDHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000299445942 553564160 /nfs/dbraw/zinc/56/41/60/553564160.db2.gz BSGZXYWBCZMCOT-UHFFFAOYSA-N -1 3 370.365 2.460 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000330695071 554158397 /nfs/dbraw/zinc/15/83/97/554158397.db2.gz IXIQJNQMXNXTGS-CYBMUJFWSA-N -1 3 358.416 2.228 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000511030878 561854283 /nfs/dbraw/zinc/85/42/83/561854283.db2.gz PFUBHIDJUHMZBB-VIFPVBQESA-N -1 3 357.338 2.449 20 5 FEBDHM O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363805069 555190044 /nfs/dbraw/zinc/19/00/44/555190044.db2.gz XFDKKPOVHDKBSH-HWWDLCQESA-N -1 3 353.378 2.161 20 5 FEBDHM Cc1ccc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000619566308 555800283 /nfs/dbraw/zinc/80/02/83/555800283.db2.gz GQJJCTDEYZEBTI-UHFFFAOYSA-N -1 3 367.365 2.394 20 5 FEBDHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000366623287 555893696 /nfs/dbraw/zinc/89/36/96/555893696.db2.gz VOMGCTDSUXNVTQ-UHFFFAOYSA-N -1 3 368.338 2.032 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2nccn2C)s1 ZINC000366837386 555947516 /nfs/dbraw/zinc/94/75/16/555947516.db2.gz IHMNPMZLKLPROP-UHFFFAOYSA-N -1 3 373.398 2.165 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000368769554 556408976 /nfs/dbraw/zinc/40/89/76/556408976.db2.gz HTZQMKNHJSOBSJ-CVEARBPZSA-N -1 3 354.428 2.387 20 5 FEBDHM COc1cc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000368918755 556448241 /nfs/dbraw/zinc/44/82/41/556448241.db2.gz JVYGGNYNBQYFTC-UHFFFAOYSA-N -1 3 363.395 2.234 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000516566513 562048470 /nfs/dbraw/zinc/04/84/70/562048470.db2.gz BYWJPUVYBGRIHQ-RKDXNWHRSA-N -1 3 350.343 2.302 20 5 FEBDHM COCCCN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000520410888 562155810 /nfs/dbraw/zinc/15/58/10/562155810.db2.gz JMWNRWOXJHVNGN-UHFFFAOYSA-N -1 3 371.821 2.185 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000373894480 557781732 /nfs/dbraw/zinc/78/17/32/557781732.db2.gz SCZFALOJINYKLY-IINYFYTJSA-N -1 3 362.411 2.180 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000520832517 562164677 /nfs/dbraw/zinc/16/46/77/562164677.db2.gz SYAMBVWKDMXZPE-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000521772185 562183419 /nfs/dbraw/zinc/18/34/19/562183419.db2.gz FXZVEIGKDIBCBV-VXGBXAGGSA-N -1 3 359.423 2.275 20 5 FEBDHM COc1cccc(OCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000524586456 562230858 /nfs/dbraw/zinc/23/08/58/562230858.db2.gz REAHCNBQGUSAKL-UHFFFAOYSA-N -1 3 366.395 2.351 20 5 FEBDHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1OC ZINC000525583794 562250583 /nfs/dbraw/zinc/25/05/83/562250583.db2.gz ULUFOCDRBLWLSL-UHFFFAOYSA-N -1 3 370.325 2.044 20 5 FEBDHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1OC ZINC000525583794 562250584 /nfs/dbraw/zinc/25/05/84/562250584.db2.gz ULUFOCDRBLWLSL-UHFFFAOYSA-N -1 3 370.325 2.044 20 5 FEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412260747 559023103 /nfs/dbraw/zinc/02/31/03/559023103.db2.gz OJABQMBPONWEMB-VHSXEESVSA-N -1 3 355.276 2.152 20 5 FEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412260747 559023104 /nfs/dbraw/zinc/02/31/04/559023104.db2.gz OJABQMBPONWEMB-VHSXEESVSA-N -1 3 355.276 2.152 20 5 FEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412260747 559023106 /nfs/dbraw/zinc/02/31/06/559023106.db2.gz OJABQMBPONWEMB-VHSXEESVSA-N -1 3 355.276 2.152 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2)c1C ZINC000414468149 559166577 /nfs/dbraw/zinc/16/65/77/559166577.db2.gz JTHSZEYJPUWMGW-NSHDSACASA-N -1 3 352.416 2.023 20 5 FEBDHM COCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416381309 559308793 /nfs/dbraw/zinc/30/87/93/559308793.db2.gz DNUJYVWMFWSJQL-UHFFFAOYSA-N -1 3 356.322 2.317 20 5 FEBDHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416395859 559309970 /nfs/dbraw/zinc/30/99/70/559309970.db2.gz XZIRTAYEDSUHPI-MRVPVSSYSA-N -1 3 356.322 2.174 20 5 FEBDHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416476739 559316128 /nfs/dbraw/zinc/31/61/28/559316128.db2.gz OPKAKGRFJYSYLS-MRVPVSSYSA-N -1 3 356.322 2.053 20 5 FEBDHM COCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416478549 559316185 /nfs/dbraw/zinc/31/61/85/559316185.db2.gz CARYXIDWIZHJID-UHFFFAOYSA-N -1 3 368.333 2.461 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1(O)CCC1 ZINC000416479843 559316279 /nfs/dbraw/zinc/31/62/79/559316279.db2.gz MXGAWMFFFPSOLX-UHFFFAOYSA-N -1 3 368.333 2.197 20 5 FEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416537332 559320439 /nfs/dbraw/zinc/32/04/39/559320439.db2.gz SLFFMQMGCRAMGH-SCZZXKLOSA-N -1 3 368.333 2.459 20 5 FEBDHM O=C(c1cc(F)cc2[n-]nnc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427969878 559766625 /nfs/dbraw/zinc/76/66/25/559766625.db2.gz XSYBCRPHBWBYAR-UHFFFAOYSA-N -1 3 357.301 2.040 20 5 FEBDHM O=C(c1cc(F)cc2nn[n-]c21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427969878 559766626 /nfs/dbraw/zinc/76/66/26/559766626.db2.gz XSYBCRPHBWBYAR-UHFFFAOYSA-N -1 3 357.301 2.040 20 5 FEBDHM O=C(c1cc(F)cc2n[n-]nc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427969878 559766627 /nfs/dbraw/zinc/76/66/27/559766627.db2.gz XSYBCRPHBWBYAR-UHFFFAOYSA-N -1 3 357.301 2.040 20 5 FEBDHM COc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1[N+](=O)[O-] ZINC000436985544 559958517 /nfs/dbraw/zinc/95/85/17/559958517.db2.gz CRUIZEQCCDRRLI-UHFFFAOYSA-N -1 3 373.365 2.376 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000443291777 560078167 /nfs/dbraw/zinc/07/81/67/560078167.db2.gz SVFFFRRXBLNURO-AWEZNQCLSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447935992 560173807 /nfs/dbraw/zinc/17/38/07/560173807.db2.gz LJSDEVHWLXWOQI-GFCCVEGCSA-N -1 3 361.489 2.363 20 5 FEBDHM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cccc21 ZINC000448490844 560188290 /nfs/dbraw/zinc/18/82/90/560188290.db2.gz DTOCBJYJGBKLEX-CQSZACIVSA-N -1 3 358.354 2.333 20 5 FEBDHM CCOc1ccncc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC000451456757 560308157 /nfs/dbraw/zinc/30/81/57/560308157.db2.gz LPTKHEUUJVDIRL-UHFFFAOYSA-N -1 3 351.384 2.175 20 5 FEBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451656538 560319943 /nfs/dbraw/zinc/31/99/43/560319943.db2.gz UBYSJTZJQOSPSD-QMMMGPOBSA-N -1 3 374.312 2.370 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451825314 560331033 /nfs/dbraw/zinc/33/10/33/560331033.db2.gz QQPAYJKWJWTYCJ-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451855476 560332621 /nfs/dbraw/zinc/33/26/21/560332621.db2.gz OVHMINFQVQVWLU-DOMZBBRYSA-N -1 3 374.846 2.324 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000451944882 560339892 /nfs/dbraw/zinc/33/98/92/560339892.db2.gz HBPBEESJWHIIPH-KWQFWETISA-N -1 3 356.791 2.429 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000452042574 560347218 /nfs/dbraw/zinc/34/72/18/560347218.db2.gz CMQPFQXMVZTWRL-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCc1[nH]nc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1Br ZINC000453048128 560382343 /nfs/dbraw/zinc/38/23/43/560382343.db2.gz LXRJLOJTMXYCLU-UHFFFAOYSA-N -1 3 371.191 2.969 20 5 FEBDHM CC(C)=CCC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000456070286 560506028 /nfs/dbraw/zinc/50/60/28/560506028.db2.gz YXKZREUHZUNDJX-ZDUSSCGKSA-N -1 3 369.443 2.124 20 5 FEBDHM CCOc1cc([N-]C(=O)c2ncc(OC)cn2)c([N+](=O)[O-])cc1OCC ZINC000459899648 560717827 /nfs/dbraw/zinc/71/78/27/560717827.db2.gz LVDSMTUBVHSSRX-UHFFFAOYSA-N -1 3 362.342 2.443 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000462415032 560809280 /nfs/dbraw/zinc/80/92/80/560809280.db2.gz FVYSNSFTOGSYEH-NSHDSACASA-N -1 3 366.443 2.163 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000466510528 560888667 /nfs/dbraw/zinc/88/86/67/560888667.db2.gz SJZGHZRBQGSFTN-UHFFFAOYSA-N -1 3 372.337 2.394 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000467063680 560902579 /nfs/dbraw/zinc/90/25/79/560902579.db2.gz RVHQBZADCKVTNK-ZIAGYGMSSA-N -1 3 360.457 2.448 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC)c([N+](=O)[O-])c1 ZINC000467153018 560904915 /nfs/dbraw/zinc/90/49/15/560904915.db2.gz SFNNOOZHBDFRET-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC000469178291 560949017 /nfs/dbraw/zinc/94/90/17/560949017.db2.gz QMVRJYSTAZJYLX-UHFFFAOYSA-N -1 3 368.411 2.240 20 5 FEBDHM COc1c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)cccc1[N+](=O)[O-] ZINC000476889781 561131170 /nfs/dbraw/zinc/13/11/70/561131170.db2.gz SBVYGGWJJVJRIQ-UHFFFAOYSA-N -1 3 360.355 2.406 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000531095181 562434441 /nfs/dbraw/zinc/43/44/41/562434441.db2.gz NMFYQAGCAMKVMK-UHFFFAOYSA-N -1 3 356.400 2.139 20 5 FEBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000533094863 562498290 /nfs/dbraw/zinc/49/82/90/562498290.db2.gz PMPFZNLCSAMJIB-CQSZACIVSA-N -1 3 354.359 2.054 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(N)=O)CCC(C)(C)CC1 ZINC000534630650 562538640 /nfs/dbraw/zinc/53/86/40/562538640.db2.gz FDZZGIQBCPOTDI-UHFFFAOYSA-N -1 3 369.443 2.006 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000534742624 562541590 /nfs/dbraw/zinc/54/15/90/562541590.db2.gz OKNIFWMZCNYLNP-UHFFFAOYSA-N -1 3 359.791 2.374 20 5 FEBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc([O-])c1F ZINC000534944644 562545795 /nfs/dbraw/zinc/54/57/95/562545795.db2.gz KEWZUSDTGPWXNK-VIFPVBQESA-N -1 3 351.338 2.311 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3cnn(C)c3c2)cc1[N+](=O)[O-] ZINC000570375093 568481672 /nfs/dbraw/zinc/48/16/72/568481672.db2.gz WNRGVCLQAWNQRT-UHFFFAOYSA-N -1 3 366.424 2.330 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1csc([N+](=O)[O-])c1 ZINC000737526183 598828737 /nfs/dbraw/zinc/82/87/37/598828737.db2.gz XUJWWCKMPXBAGF-UHFFFAOYSA-N -1 3 368.382 2.452 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1csc([N+](=O)[O-])c1 ZINC000737526183 598828740 /nfs/dbraw/zinc/82/87/40/598828740.db2.gz XUJWWCKMPXBAGF-UHFFFAOYSA-N -1 3 368.382 2.452 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Oc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370282 598831260 /nfs/dbraw/zinc/83/12/60/598831260.db2.gz UKISBNTZEQTOCF-AWEZNQCLSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Oc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370282 598831261 /nfs/dbraw/zinc/83/12/61/598831261.db2.gz UKISBNTZEQTOCF-AWEZNQCLSA-N -1 3 367.369 2.218 20 5 FEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000821690393 599105062 /nfs/dbraw/zinc/10/50/62/599105062.db2.gz JSBULKJTVXBOGW-UHFFFAOYSA-N -1 3 369.385 2.131 20 5 FEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000821690393 599105066 /nfs/dbraw/zinc/10/50/66/599105066.db2.gz JSBULKJTVXBOGW-UHFFFAOYSA-N -1 3 369.385 2.131 20 5 FEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988313 599115644 /nfs/dbraw/zinc/11/56/44/599115644.db2.gz KLDLVYQYQRHRRK-UHFFFAOYSA-N -1 3 368.353 2.068 20 5 FEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988313 599115645 /nfs/dbraw/zinc/11/56/45/599115645.db2.gz KLDLVYQYQRHRRK-UHFFFAOYSA-N -1 3 368.353 2.068 20 5 FEBDHM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000823651923 599210572 /nfs/dbraw/zinc/21/05/72/599210572.db2.gz RQJFILULETWDIL-UHFFFAOYSA-N -1 3 372.366 2.482 20 5 FEBDHM COC(=O)NCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736940564 599231236 /nfs/dbraw/zinc/23/12/36/599231236.db2.gz RZTOTVNPLSZXCE-UHFFFAOYSA-N -1 3 369.341 2.375 20 5 FEBDHM COC(=O)NCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736940564 599231239 /nfs/dbraw/zinc/23/12/39/599231239.db2.gz RZTOTVNPLSZXCE-UHFFFAOYSA-N -1 3 369.341 2.375 20 5 FEBDHM CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000821573353 607263883 /nfs/dbraw/zinc/26/38/83/607263883.db2.gz MPXVSBQHBKGRBN-UHFFFAOYSA-N -1 3 360.280 2.330 20 5 FEBDHM CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821573353 607263884 /nfs/dbraw/zinc/26/38/84/607263884.db2.gz MPXVSBQHBKGRBN-UHFFFAOYSA-N -1 3 360.280 2.330 20 5 FEBDHM Cc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822075620 607267150 /nfs/dbraw/zinc/26/71/50/607267150.db2.gz FNVCDMNLQNUNRO-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822075620 607267151 /nfs/dbraw/zinc/26/71/51/607267151.db2.gz FNVCDMNLQNUNRO-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737311709 598305273 /nfs/dbraw/zinc/30/52/73/598305273.db2.gz CBGJVVJPDYUSNW-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737311709 598305274 /nfs/dbraw/zinc/30/52/74/598305274.db2.gz CBGJVVJPDYUSNW-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000822220235 607353231 /nfs/dbraw/zinc/35/32/31/607353231.db2.gz JGJSRUHDMQLFJU-UHFFFAOYSA-N -1 3 356.346 2.182 20 5 FEBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154721 598488838 /nfs/dbraw/zinc/48/88/38/598488838.db2.gz AVXSXOBWBKIZPI-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154721 598488840 /nfs/dbraw/zinc/48/88/40/598488840.db2.gz AVXSXOBWBKIZPI-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM COc1cccc2c1OC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737143928 598613792 /nfs/dbraw/zinc/61/37/92/598613792.db2.gz VRTHISHGZRCOMM-NSHDSACASA-N -1 3 368.353 2.199 20 5 FEBDHM COc1cccc2c1OC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737143928 598613793 /nfs/dbraw/zinc/61/37/93/598613793.db2.gz VRTHISHGZRCOMM-NSHDSACASA-N -1 3 368.353 2.199 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1ccc(F)cc1 ZINC000736136178 598679295 /nfs/dbraw/zinc/67/92/95/598679295.db2.gz DPESXZBHWAKCRZ-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC000736136178 598679296 /nfs/dbraw/zinc/67/92/96/598679296.db2.gz DPESXZBHWAKCRZ-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM O=[N+]([O-])c1cccnc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738368615 598756854 /nfs/dbraw/zinc/75/68/54/598756854.db2.gz GCXZKPBBFSNWKQ-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735597839 599304781 /nfs/dbraw/zinc/30/47/81/599304781.db2.gz SPGKJMXUVPNPBH-GXFFZTMASA-N -1 3 361.406 2.423 20 5 FEBDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735597839 599304782 /nfs/dbraw/zinc/30/47/82/599304782.db2.gz SPGKJMXUVPNPBH-GXFFZTMASA-N -1 3 361.406 2.423 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826272572 607370529 /nfs/dbraw/zinc/37/05/29/607370529.db2.gz QIBUOLBRWQFPJR-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826272572 607370531 /nfs/dbraw/zinc/37/05/31/607370531.db2.gz QIBUOLBRWQFPJR-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM O=C(c1sccc1-c1nnn[n-]1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738288385 599374895 /nfs/dbraw/zinc/37/48/95/599374895.db2.gz CBGHYJWLXJSMSP-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM O=C(c1sccc1-c1nn[n-]n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738288385 599374897 /nfs/dbraw/zinc/37/48/97/599374897.db2.gz CBGHYJWLXJSMSP-UHFFFAOYSA-N -1 3 356.367 2.429 20 5 FEBDHM CN(C[C@H]1CCCOC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596858 599544469 /nfs/dbraw/zinc/54/44/69/599544469.db2.gz WYPSTTLMDBCLPT-LLVKDONJSA-N -1 3 369.385 2.186 20 5 FEBDHM CN(C[C@H]1CCCOC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596858 599544474 /nfs/dbraw/zinc/54/44/74/599544474.db2.gz WYPSTTLMDBCLPT-LLVKDONJSA-N -1 3 369.385 2.186 20 5 FEBDHM COCC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821684863 599553382 /nfs/dbraw/zinc/55/33/82/599553382.db2.gz MSQICUKTHMQIBG-UHFFFAOYSA-N -1 3 369.385 2.186 20 5 FEBDHM COCC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821684863 599553384 /nfs/dbraw/zinc/55/33/84/599553384.db2.gz MSQICUKTHMQIBG-UHFFFAOYSA-N -1 3 369.385 2.186 20 5 FEBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCOC1 ZINC000820623138 599554237 /nfs/dbraw/zinc/55/42/37/599554237.db2.gz GGCIMLMVUMQVAE-INIZCTEOSA-N -1 3 355.358 2.162 20 5 FEBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCOC1 ZINC000820623138 599554239 /nfs/dbraw/zinc/55/42/39/599554239.db2.gz GGCIMLMVUMQVAE-INIZCTEOSA-N -1 3 355.358 2.162 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270863 599667286 /nfs/dbraw/zinc/66/72/86/599667286.db2.gz AURUALPXXYMSNT-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270863 599667287 /nfs/dbraw/zinc/66/72/87/599667287.db2.gz AURUALPXXYMSNT-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM COc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000826210126 607399613 /nfs/dbraw/zinc/39/96/13/607399613.db2.gz FOOGZSJBHLPSDS-UHFFFAOYSA-N -1 3 355.310 2.311 20 5 FEBDHM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000826210126 607399614 /nfs/dbraw/zinc/39/96/14/607399614.db2.gz FOOGZSJBHLPSDS-UHFFFAOYSA-N -1 3 355.310 2.311 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000821745102 607412162 /nfs/dbraw/zinc/41/21/62/607412162.db2.gz DPVCHNBABUJNQM-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000821745102 607412164 /nfs/dbraw/zinc/41/21/64/607412164.db2.gz DPVCHNBABUJNQM-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000821745151 607419169 /nfs/dbraw/zinc/41/91/69/607419169.db2.gz HGNFNRPPPXRJPU-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000821745151 607419170 /nfs/dbraw/zinc/41/91/70/607419170.db2.gz HGNFNRPPPXRJPU-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CCOC ZINC000580315570 602316426 /nfs/dbraw/zinc/31/64/26/602316426.db2.gz IYUZSTYENNQSFM-CYBMUJFWSA-N -1 3 351.403 2.148 20 5 FEBDHM CCCN(CC)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809824321 674513206 /nfs/dbraw/zinc/51/32/06/674513206.db2.gz OADIKYGUFLRZKD-UHFFFAOYSA-N -1 3 367.830 2.398 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(CNC(=O)[O-])C(C)C ZINC000830137893 603563593 /nfs/dbraw/zinc/56/35/93/603563593.db2.gz HMVOQNZBIRLQCF-INIZCTEOSA-N -1 3 352.391 2.114 20 5 FEBDHM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(C[C@H]3CCOC3)CC2)cc1Cl ZINC000833306733 604271244 /nfs/dbraw/zinc/27/12/44/604271244.db2.gz DHJIWMJPZYFDRD-LLVKDONJSA-N -1 3 369.805 2.105 20 5 FEBDHM O=C([O-])NC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000834208401 605665242 /nfs/dbraw/zinc/66/52/42/605665242.db2.gz UWXKTBHOASXSLB-CQSZACIVSA-N -1 3 364.402 2.339 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821846662 606261302 /nfs/dbraw/zinc/26/13/02/606261302.db2.gz XGEVIXPASOJBJH-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821846662 606261304 /nfs/dbraw/zinc/26/13/04/606261304.db2.gz XGEVIXPASOJBJH-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM O=[N+]([O-])c1cc(NC[C@H]2COc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC000823635107 606644629 /nfs/dbraw/zinc/64/46/29/606644629.db2.gz RNNRZVUNRMACTD-NSHDSACASA-N -1 3 354.326 2.027 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCN(Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823635100 606644650 /nfs/dbraw/zinc/64/46/50/606644650.db2.gz RLRHCZRARCVRMI-UHFFFAOYSA-N -1 3 365.397 2.097 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822983875 606677822 /nfs/dbraw/zinc/67/78/22/606677822.db2.gz VVLQQTXCDCOIRD-UHFFFAOYSA-N -1 3 356.317 2.485 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822983875 606677823 /nfs/dbraw/zinc/67/78/23/606677823.db2.gz VVLQQTXCDCOIRD-UHFFFAOYSA-N -1 3 356.317 2.485 20 5 FEBDHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[n-]1 ZINC000559619980 674549977 /nfs/dbraw/zinc/54/99/77/674549977.db2.gz OQPCBJBBRQLYCF-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM COc1nc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[n-]1 ZINC000559619980 674549978 /nfs/dbraw/zinc/54/99/78/674549978.db2.gz OQPCBJBBRQLYCF-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000559619980 674549980 /nfs/dbraw/zinc/54/99/80/674549980.db2.gz OQPCBJBBRQLYCF-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM COc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1F ZINC000821720161 606939506 /nfs/dbraw/zinc/93/95/06/606939506.db2.gz NWZIHPLCDRPJPM-UHFFFAOYSA-N -1 3 374.332 2.414 20 5 FEBDHM CCOC(=O)c1ccnc(Sc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000821343560 606944688 /nfs/dbraw/zinc/94/46/88/606944688.db2.gz POCXZVDRAVRKIA-UHFFFAOYSA-N -1 3 372.366 2.498 20 5 FEBDHM CCOC(=O)c1ccnc(Sc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821343560 606944690 /nfs/dbraw/zinc/94/46/90/606944690.db2.gz POCXZVDRAVRKIA-UHFFFAOYSA-N -1 3 372.366 2.498 20 5 FEBDHM CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574824 606963409 /nfs/dbraw/zinc/96/34/09/606963409.db2.gz ZAJUINJZYCANAY-UHFFFAOYSA-N -1 3 359.733 2.100 20 5 FEBDHM CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574824 606963410 /nfs/dbraw/zinc/96/34/10/606963410.db2.gz ZAJUINJZYCANAY-UHFFFAOYSA-N -1 3 359.733 2.100 20 5 FEBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000820728056 607047326 /nfs/dbraw/zinc/04/73/26/607047326.db2.gz RVNYJGDZVMNKPY-IAQYHMDHSA-N -1 3 354.374 2.059 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823050377 607077909 /nfs/dbraw/zinc/07/79/09/607077909.db2.gz XEAXVXNVWXDCFW-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823050377 607077911 /nfs/dbraw/zinc/07/79/11/607077911.db2.gz XEAXVXNVWXDCFW-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823417558 607087963 /nfs/dbraw/zinc/08/79/63/607087963.db2.gz CWZVJFIGNCIOFI-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823417558 607087964 /nfs/dbraw/zinc/08/79/64/607087964.db2.gz CWZVJFIGNCIOFI-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM COc1cccc2c1CC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821877117 607118742 /nfs/dbraw/zinc/11/87/42/607118742.db2.gz BTAVDJDZODSNJM-ZDUSSCGKSA-N -1 3 353.342 2.278 20 5 FEBDHM COc1cccc2c1CC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821877117 607118743 /nfs/dbraw/zinc/11/87/43/607118743.db2.gz BTAVDJDZODSNJM-ZDUSSCGKSA-N -1 3 353.342 2.278 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000823630080 607176571 /nfs/dbraw/zinc/17/65/71/607176571.db2.gz QSMVTUSAQABSBI-IAQYHMDHSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000823630080 607176572 /nfs/dbraw/zinc/17/65/72/607176572.db2.gz QSMVTUSAQABSBI-IAQYHMDHSA-N -1 3 362.415 2.242 20 5 FEBDHM COc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821772582 607248562 /nfs/dbraw/zinc/24/85/62/607248562.db2.gz GQPMXBKOOLGACR-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821772582 607248563 /nfs/dbraw/zinc/24/85/63/607248563.db2.gz GQPMXBKOOLGACR-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826455315 607931966 /nfs/dbraw/zinc/93/19/66/607931966.db2.gz JHYLVFNEKILKJP-UHFFFAOYSA-N -1 3 351.326 2.370 20 5 FEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826455315 607931967 /nfs/dbraw/zinc/93/19/67/607931967.db2.gz JHYLVFNEKILKJP-UHFFFAOYSA-N -1 3 351.326 2.370 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826439922 607977023 /nfs/dbraw/zinc/97/70/23/607977023.db2.gz QKYXJTVBEXJLRV-UHFFFAOYSA-N -1 3 353.342 2.139 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826439922 607977024 /nfs/dbraw/zinc/97/70/24/607977024.db2.gz QKYXJTVBEXJLRV-UHFFFAOYSA-N -1 3 353.342 2.139 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826402348 608005131 /nfs/dbraw/zinc/00/51/31/608005131.db2.gz RJIKDUGTVRKSDY-CMDGGOBGSA-N -1 3 364.365 2.147 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826402348 608005132 /nfs/dbraw/zinc/00/51/32/608005132.db2.gz RJIKDUGTVRKSDY-CMDGGOBGSA-N -1 3 364.365 2.147 20 5 FEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826498362 608069335 /nfs/dbraw/zinc/06/93/35/608069335.db2.gz RKVRFCMUFKZOKS-KRWDZBQOSA-N -1 3 366.381 2.348 20 5 FEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826498362 608069336 /nfs/dbraw/zinc/06/93/36/608069336.db2.gz RKVRFCMUFKZOKS-KRWDZBQOSA-N -1 3 366.381 2.348 20 5 FEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826442789 608106116 /nfs/dbraw/zinc/10/61/16/608106116.db2.gz LIOXVVNQHJLVSW-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826442789 608106117 /nfs/dbraw/zinc/10/61/17/608106117.db2.gz LIOXVVNQHJLVSW-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(F)nc1 ZINC000826450944 608162431 /nfs/dbraw/zinc/16/24/31/608162431.db2.gz JNNRGBYNGSOBIN-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(F)nc1 ZINC000826450944 608162432 /nfs/dbraw/zinc/16/24/32/608162432.db2.gz JNNRGBYNGSOBIN-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM Cc1cc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000826266149 608365811 /nfs/dbraw/zinc/36/58/11/608365811.db2.gz DKQQDAYPPNQDFO-UHFFFAOYSA-N -1 3 366.341 2.256 20 5 FEBDHM Cc1cc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000826266149 608365813 /nfs/dbraw/zinc/36/58/13/608365813.db2.gz DKQQDAYPPNQDFO-UHFFFAOYSA-N -1 3 366.341 2.256 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824480645 608433503 /nfs/dbraw/zinc/43/35/03/608433503.db2.gz ZNPHIVWFPCYCCT-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824480645 608433504 /nfs/dbraw/zinc/43/35/04/608433504.db2.gz ZNPHIVWFPCYCCT-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473663 608482613 /nfs/dbraw/zinc/48/26/13/608482613.db2.gz IDFPKZLHOVTYKK-UHFFFAOYSA-N -1 3 365.353 2.033 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473663 608482614 /nfs/dbraw/zinc/48/26/14/608482614.db2.gz IDFPKZLHOVTYKK-UHFFFAOYSA-N -1 3 365.353 2.033 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCCNc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000826500826 609603608 /nfs/dbraw/zinc/60/36/08/609603608.db2.gz NQPZBBLNZMBEJY-UHFFFAOYSA-N -1 3 358.337 2.223 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCCNc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000826500826 609603609 /nfs/dbraw/zinc/60/36/09/609603609.db2.gz NQPZBBLNZMBEJY-UHFFFAOYSA-N -1 3 358.337 2.223 20 5 FEBDHM Cc1cc(NCCN2CCN(C)C(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579479257 671739265 /nfs/dbraw/zinc/73/92/65/671739265.db2.gz MRONIRZUDLALRV-UHFFFAOYSA-N -1 3 350.419 2.039 20 5 FEBDHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000121896298 671959812 /nfs/dbraw/zinc/95/98/12/671959812.db2.gz SUCWNKBWRMLUMB-HNNXBMFYSA-N -1 3 372.374 2.130 20 5 FEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cccc(Br)c1 ZINC000125546104 672013267 /nfs/dbraw/zinc/01/32/67/672013267.db2.gz SQZJRBDQQSPHCM-UHFFFAOYSA-N -1 3 373.188 2.058 20 5 FEBDHM O=C(NCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000176311592 672375055 /nfs/dbraw/zinc/37/50/55/672375055.db2.gz MZQKZMJWANBINV-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)nc1 ZINC000593535107 672936317 /nfs/dbraw/zinc/93/63/17/672936317.db2.gz HOUWZULVFAXUIA-CYBMUJFWSA-N -1 3 367.358 2.321 20 5 FEBDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547462 672939555 /nfs/dbraw/zinc/93/95/55/672939555.db2.gz PVRAOVMACLMLST-SMDDNHRTSA-N -1 3 357.432 2.109 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(C)c1 ZINC000593558736 672942654 /nfs/dbraw/zinc/94/26/54/672942654.db2.gz JXWYKBOSIAUSPQ-CQSZACIVSA-N -1 3 365.411 2.434 20 5 FEBDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573400 672947775 /nfs/dbraw/zinc/94/77/75/672947775.db2.gz QOXTWXOLMQFNQD-MEBBXXQBSA-N -1 3 369.374 2.183 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)nc1 ZINC000593574028 672948295 /nfs/dbraw/zinc/94/82/95/672948295.db2.gz XEROVXQRIHTEJY-ZDUSSCGKSA-N -1 3 367.358 2.321 20 5 FEBDHM CC[C@H](OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593627638 672962587 /nfs/dbraw/zinc/96/25/87/672962587.db2.gz XIIOFCRBXQMGLZ-HNNXBMFYSA-N -1 3 365.411 2.436 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000312397354 673028741 /nfs/dbraw/zinc/02/87/41/673028741.db2.gz PKZWFBLUPRTTNI-UHFFFAOYSA-N -1 3 361.177 2.022 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1(CO)CC1 ZINC000594825819 673153627 /nfs/dbraw/zinc/15/36/27/673153627.db2.gz BVVZIGNZGCJWLQ-QMMMGPOBSA-N -1 3 368.333 2.053 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1F ZINC000594854600 673165451 /nfs/dbraw/zinc/16/54/51/673165451.db2.gz SGCRTIZKGIDNEN-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000595347923 673229287 /nfs/dbraw/zinc/22/92/87/673229287.db2.gz POQWEVLVRIXNDQ-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595353999 673231106 /nfs/dbraw/zinc/23/11/06/673231106.db2.gz OOGBFIZOHOTXNG-HZPDHXFCSA-N -1 3 365.411 2.026 20 5 FEBDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595354000 673231214 /nfs/dbraw/zinc/23/12/14/673231214.db2.gz OOGBFIZOHOTXNG-JKSUJKDBSA-N -1 3 365.411 2.026 20 5 FEBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000463105531 673297949 /nfs/dbraw/zinc/29/79/49/673297949.db2.gz GHKCECVUMSXYGM-LLVKDONJSA-N -1 3 365.415 2.005 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)c(F)c1 ZINC000510442321 673344814 /nfs/dbraw/zinc/34/48/14/673344814.db2.gz JKYUJUKHGFMJHH-LBPRGKRZSA-N -1 3 366.370 2.406 20 5 FEBDHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000539385372 673487475 /nfs/dbraw/zinc/48/74/75/673487475.db2.gz LNNLPZORIFCPDT-ZDUSSCGKSA-N -1 3 362.835 2.324 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000735532248 673496342 /nfs/dbraw/zinc/49/63/42/673496342.db2.gz CAKVXKQNQPJYNI-UHFFFAOYSA-N -1 3 364.741 2.427 20 5 FEBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000597666333 673497281 /nfs/dbraw/zinc/49/72/81/673497281.db2.gz ZMGRPEBCXYBFND-UHFFFAOYSA-N -1 3 364.427 2.481 20 5 FEBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000546175446 673795054 /nfs/dbraw/zinc/79/50/54/673795054.db2.gz BIYGOAWBPFWMEH-CYBMUJFWSA-N -1 3 350.327 2.340 20 5 FEBDHM 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C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000780715351 681864485 /nfs/dbraw/zinc/86/44/85/681864485.db2.gz JRMAVTBONAJIKC-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227963 683325553 /nfs/dbraw/zinc/32/55/53/683325553.db2.gz BKSPMPNCOGZLSN-VIFPVBQESA-N -1 3 367.830 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(F)(F)F)O2)c(F)c1 ZINC000920935846 683380814 /nfs/dbraw/zinc/38/08/14/683380814.db2.gz DOHGTPFXGYMRQA-KCJUWKMLSA-N -1 3 372.296 2.122 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C2CCC3(COC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000882822609 687503447 /nfs/dbraw/zinc/50/34/47/687503447.db2.gz PVMIVZHQCFIKJX-UHFFFAOYSA-N -1 3 358.391 2.280 20 5 FEBDHM O=C([N-]C1=NCCS1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024802317 539741227 /nfs/dbraw/zinc/74/12/27/539741227.db2.gz MVQGZMMSVGRQLD-ZFWWWQNUSA-N -1 3 360.439 2.345 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1 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ZINC000125358107 543876953 /nfs/dbraw/zinc/87/69/53/543876953.db2.gz GZPCYRRVHQBRLA-HNNXBMFYSA-N -1 3 364.423 2.266 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129202370 544097013 /nfs/dbraw/zinc/09/70/13/544097013.db2.gz ALKFZCBSXQMNNN-WZRBSPASSA-N -1 3 360.819 2.484 20 5 FEBDHM COc1ccc([N-]C(=O)c2nn(C)cc2Br)c([N+](=O)[O-])c1 ZINC000138446384 544396308 /nfs/dbraw/zinc/39/63/08/544396308.db2.gz BLNNBKUMTQEUIE-UHFFFAOYSA-N -1 3 355.148 2.352 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@H]12 ZINC000146823173 544442250 /nfs/dbraw/zinc/44/22/50/544442250.db2.gz CWIZSBNPUNRIPL-NWDGAFQWSA-N -1 3 359.835 2.153 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000186255427 327954068 /nfs/dbraw/zinc/95/40/68/327954068.db2.gz XSMFWWXCZRMHAR-VIFPVBQESA-N -1 3 355.347 2.177 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000186775801 327981734 /nfs/dbraw/zinc/98/17/34/327981734.db2.gz USGQHIJPGCNTHH-ZDUSSCGKSA-N -1 3 371.459 2.146 20 5 FEBDHM CCN1CCN(c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187546426 328032488 /nfs/dbraw/zinc/03/24/88/328032488.db2.gz KKLJNDVJAXERLY-UHFFFAOYSA-N -1 3 371.397 2.090 20 5 FEBDHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000188352333 328082191 /nfs/dbraw/zinc/08/21/91/328082191.db2.gz ARRJPYPJFZMBRY-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC000190080006 328186535 /nfs/dbraw/zinc/18/65/35/328186535.db2.gz FUAMYONELLDXHS-GJZGRUSLSA-N -1 3 362.407 2.148 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000008895972 324364099 /nfs/dbraw/zinc/36/40/99/324364099.db2.gz GMQOXAYOYZBQMM-ZDUSSCGKSA-N -1 3 355.441 2.238 20 5 FEBDHM CCCN1CCC(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000101576289 325473069 /nfs/dbraw/zinc/47/30/69/325473069.db2.gz GGAQUWMOAMUHIQ-UHFFFAOYSA-N -1 3 359.423 2.134 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000117796046 326070788 /nfs/dbraw/zinc/07/07/88/326070788.db2.gz XEXUFWCXKBMHGL-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000117796046 326070791 /nfs/dbraw/zinc/07/07/91/326070791.db2.gz XEXUFWCXKBMHGL-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000121556736 326347767 /nfs/dbraw/zinc/34/77/67/326347767.db2.gz IEILMXBPHJKZRN-UHFFFAOYSA-N -1 3 361.329 2.311 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)Cc1ccccc1 ZINC000129158937 326535639 /nfs/dbraw/zinc/53/56/39/326535639.db2.gz DLMJIYJTGZYPJX-IAQYHMDHSA-N -1 3 368.386 2.004 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000133517443 326610191 /nfs/dbraw/zinc/61/01/91/326610191.db2.gz NFEHDAQOAVHOGG-UHFFFAOYSA-N -1 3 360.342 2.041 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000159965166 326948945 /nfs/dbraw/zinc/94/89/45/326948945.db2.gz SNGXHYPMINESFD-JTQLQIEISA-N -1 3 357.413 2.490 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)ccc1[N+](=O)[O-] ZINC000172182364 327185939 /nfs/dbraw/zinc/18/59/39/327185939.db2.gz BHXLVJLQTGZENS-UHFFFAOYSA-N -1 3 369.786 2.456 20 5 FEBDHM CC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc([N+](=O)[O-])c1 ZINC000177808741 327546243 /nfs/dbraw/zinc/54/62/43/327546243.db2.gz WPYCLQGUTDRABZ-HNNXBMFYSA-N -1 3 353.334 2.360 20 5 FEBDHM CSC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOCC1 ZINC000268772777 329454516 /nfs/dbraw/zinc/45/45/16/329454516.db2.gz AAZJKFMPXJSUFN-UHFFFAOYSA-N -1 3 374.484 2.402 20 5 FEBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276200706 330128656 /nfs/dbraw/zinc/12/86/56/330128656.db2.gz YMJHTJCIUMAUIB-JGVFFNPUSA-N -1 3 367.221 2.059 20 5 FEBDHM CN(C)C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000805120648 674320221 /nfs/dbraw/zinc/32/02/21/674320221.db2.gz BQPKLSIHJGKFIF-ZDUSSCGKSA-N -1 3 373.431 2.377 20 5 FEBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000156546711 545634787 /nfs/dbraw/zinc/63/47/87/545634787.db2.gz YHWZMVZFBXQEDP-HNNXBMFYSA-N -1 3 364.423 2.478 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)c1C ZINC000159530024 545960465 /nfs/dbraw/zinc/96/04/65/545960465.db2.gz XOOGLWVRZLAKCZ-OAHLLOKOSA-N -1 3 356.444 2.431 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccncc2)c(C(F)(F)F)c1 ZINC000159540463 545961831 /nfs/dbraw/zinc/96/18/31/545961831.db2.gz MSMRIVHDYRUWNS-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM CCc1nc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000479129287 561182131 /nfs/dbraw/zinc/18/21/31/561182131.db2.gz IWJJYCORGGHOEO-UHFFFAOYSA-N -1 3 359.264 2.469 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000175651232 546328136 /nfs/dbraw/zinc/32/81/36/546328136.db2.gz IHTROHWUZGHLKF-XCMOZONUSA-N -1 3 374.484 2.261 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C ZINC000480721843 561215188 /nfs/dbraw/zinc/21/51/88/561215188.db2.gz NPFFYOBBHRZHIT-LLVKDONJSA-N -1 3 374.415 2.002 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C ZINC000480726781 561215388 /nfs/dbraw/zinc/21/53/88/561215388.db2.gz IDOCSYKMHMEWRK-NSHDSACASA-N -1 3 374.415 2.002 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000480746152 561215872 /nfs/dbraw/zinc/21/58/72/561215872.db2.gz FFGGEGVTBHOAOX-ZETCQYMHSA-N -1 3 356.347 2.397 20 5 FEBDHM C[C@@](CO)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000480875122 561219039 /nfs/dbraw/zinc/21/90/39/561219039.db2.gz GUXMHAPFHYWEQV-KRWDZBQOSA-N -1 3 364.423 2.114 20 5 FEBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000480932361 561220530 /nfs/dbraw/zinc/22/05/30/561220530.db2.gz VAWVPLFWGGBYKH-UHFFFAOYSA-N -1 3 362.367 2.172 20 5 FEBDHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000178142794 546745792 /nfs/dbraw/zinc/74/57/92/546745792.db2.gz GSWIUKHJTAFCLV-UHFFFAOYSA-N -1 3 372.362 2.053 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCOCC2)c(C(F)(F)F)c1 ZINC000179031651 546888467 /nfs/dbraw/zinc/88/84/67/546888467.db2.gz NXRILIXWLNMATD-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM Cc1cn(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)c(=O)[nH]1 ZINC000481935459 561245881 /nfs/dbraw/zinc/24/58/81/561245881.db2.gz OLSXYLPMAXRKGE-UHFFFAOYSA-N -1 3 355.310 2.147 20 5 FEBDHM O=C(NCC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182180945 547448908 /nfs/dbraw/zinc/44/89/08/547448908.db2.gz MTKPJHWBHNXRMY-UHFFFAOYSA-N -1 3 356.382 2.342 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000484015023 561289628 /nfs/dbraw/zinc/28/96/28/561289628.db2.gz SGIUORMKIDMIKE-SMDDNHRTSA-N -1 3 369.424 2.168 20 5 FEBDHM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484230103 561294183 /nfs/dbraw/zinc/29/41/83/561294183.db2.gz GJJFUAKCLQUZSA-AWEZNQCLSA-N -1 3 372.337 2.065 20 5 FEBDHM COCCOc1ccc(F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484524295 561299149 /nfs/dbraw/zinc/29/91/49/561299149.db2.gz AXRKMKRCHXMZAL-UHFFFAOYSA-N -1 3 351.290 2.112 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186187664 548096685 /nfs/dbraw/zinc/09/66/85/548096685.db2.gz OHIVQCGRAAZEAT-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000186236042 548104429 /nfs/dbraw/zinc/10/44/29/548104429.db2.gz PXDWEPAIVZJIHK-VIFPVBQESA-N -1 3 355.347 2.177 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C)c(=O)n(C)c2)c1C ZINC000486500165 561349122 /nfs/dbraw/zinc/34/91/22/561349122.db2.gz YKAQDQOYXXCJBD-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000246222473 549082884 /nfs/dbraw/zinc/08/28/84/549082884.db2.gz FMCWNRXIQCZKNC-KCPJHIHWSA-N -1 3 370.402 2.360 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000249709100 549617182 /nfs/dbraw/zinc/61/71/82/549617182.db2.gz SJECJCAAXNQLJZ-VXGBXAGGSA-N -1 3 359.423 2.133 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000490086190 561426146 /nfs/dbraw/zinc/42/61/46/561426146.db2.gz FRILUFPBQOGLBB-AWEZNQCLSA-N -1 3 360.407 2.199 20 5 FEBDHM Cc1cccc([O-])c1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000490624096 561436298 /nfs/dbraw/zinc/43/62/98/561436298.db2.gz UJVFEGZOXSURHA-UHFFFAOYSA-N -1 3 358.354 2.047 20 5 FEBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000268533733 550083618 /nfs/dbraw/zinc/08/36/18/550083618.db2.gz YBSTVEZMGLRABF-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269769692 550223875 /nfs/dbraw/zinc/22/38/75/550223875.db2.gz FRQSMBUJFWHHKA-OAHLLOKOSA-N -1 3 366.395 2.005 20 5 FEBDHM CCC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493577263 561456972 /nfs/dbraw/zinc/45/69/72/561456972.db2.gz XIKBIJYBRGSUTD-UHFFFAOYSA-N -1 3 367.221 2.363 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273962297 550517472 /nfs/dbraw/zinc/51/74/72/550517472.db2.gz OAFCJUNVKOYGKQ-UHFFFAOYSA-N -1 3 359.835 2.097 20 5 FEBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277002898 550620529 /nfs/dbraw/zinc/62/05/29/550620529.db2.gz UOPKWEBVLSTTFK-VHSXEESVSA-N -1 3 353.404 2.266 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000287311864 551988141 /nfs/dbraw/zinc/98/81/41/551988141.db2.gz FBIBIDSTUXKEDO-VIFPVBQESA-N -1 3 364.420 2.164 20 5 FEBDHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000288841767 552222878 /nfs/dbraw/zinc/22/28/78/552222878.db2.gz DFSZKHFXSFYGJK-UHFFFAOYSA-N -1 3 352.416 2.154 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)C)C1(CO)CCC1 ZINC000292298263 552713439 /nfs/dbraw/zinc/71/34/39/552713439.db2.gz MSXAFAOSCPOAKF-HNNXBMFYSA-N -1 3 372.443 2.069 20 5 FEBDHM C[C@@](CO)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000325884322 553778181 /nfs/dbraw/zinc/77/81/81/553778181.db2.gz IYIBJOLPDMNFCN-HNNXBMFYSA-N -1 3 370.814 2.434 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000327849026 553791836 /nfs/dbraw/zinc/79/18/36/553791836.db2.gz FUMPRKUNPNIHDZ-MGULZYLOSA-N -1 3 368.411 2.238 20 5 FEBDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000330486998 554127750 /nfs/dbraw/zinc/12/77/50/554127750.db2.gz FKGMFXDGLBXURT-WBMJQRKESA-N -1 3 370.427 2.303 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000330519302 554132706 /nfs/dbraw/zinc/13/27/06/554132706.db2.gz GODMQJDTRBXGCN-UHFFFAOYSA-N -1 3 350.343 2.460 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436489 554264247 /nfs/dbraw/zinc/26/42/47/554264247.db2.gz CWZZTQNUZDAEMK-CABZTGNLSA-N -1 3 359.835 2.009 20 5 FEBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332182154 554396496 /nfs/dbraw/zinc/39/64/96/554396496.db2.gz SKASFWQIVBKXBQ-JTQLQIEISA-N -1 3 356.400 2.223 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2nccn2C)C2CC2)c1[N+](=O)[O-] ZINC000510448573 561835001 /nfs/dbraw/zinc/83/50/01/561835001.db2.gz VNXXYJYVBAJFAQ-ZDUSSCGKSA-N -1 3 364.427 2.375 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000510500445 561836851 /nfs/dbraw/zinc/83/68/51/561836851.db2.gz DRNTUINGYLRIBW-UHFFFAOYSA-N -1 3 354.306 2.224 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCC1 ZINC000511263176 561863205 /nfs/dbraw/zinc/86/32/05/561863205.db2.gz WNORCEKIXWSHKI-UHFFFAOYSA-N -1 3 356.400 2.057 20 5 FEBDHM Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2n1CCCC2 ZINC000362484760 554974817 /nfs/dbraw/zinc/97/48/17/554974817.db2.gz HDKLKWJCIALAKO-UHFFFAOYSA-N -1 3 368.390 2.054 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)c(Cl)c1 ZINC000364043919 555239215 /nfs/dbraw/zinc/23/92/15/555239215.db2.gz UHXKYBFLZDBWCH-UHFFFAOYSA-N -1 3 360.819 2.486 20 5 FEBDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414943 562089644 /nfs/dbraw/zinc/08/96/44/562089644.db2.gz MFZKLALUEDBOBC-TXEJJXNPSA-N -1 3 359.423 2.275 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000371736757 557279225 /nfs/dbraw/zinc/27/92/25/557279225.db2.gz YMXOOAHWLPPMBH-ZDUSSCGKSA-N -1 3 366.370 2.330 20 5 FEBDHM CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2O1 ZINC000372234993 557417156 /nfs/dbraw/zinc/41/71/56/557417156.db2.gz BNLPKAPXDNLVBN-ZDUSSCGKSA-N -1 3 357.366 2.270 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCCc2c[nH]nc21 ZINC000372360310 557449865 /nfs/dbraw/zinc/44/98/65/557449865.db2.gz NGXVLBAOIUVDHY-ZDUSSCGKSA-N -1 3 352.354 2.767 20 5 FEBDHM Cc1cc(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375085674 557975546 /nfs/dbraw/zinc/97/55/46/557975546.db2.gz UCMJWOYOGFHUCM-GFCCVEGCSA-N -1 3 365.386 2.200 20 5 FEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1occ2c1CCOC2 ZINC000376723580 558213611 /nfs/dbraw/zinc/21/36/11/558213611.db2.gz UABGJZAJVANGRH-UHFFFAOYSA-N -1 3 354.322 2.903 20 5 FEBDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000378175791 558496413 /nfs/dbraw/zinc/49/64/13/558496413.db2.gz RDGLTRBCRQBUCQ-UHFFFAOYSA-N -1 3 370.365 2.186 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000408376160 558671915 /nfs/dbraw/zinc/67/19/15/558671915.db2.gz VWBGGVVNDMARAG-DOMZBBRYSA-N -1 3 372.468 2.236 20 5 FEBDHM CCCn1c(=O)[n-]nc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409850340 558723332 /nfs/dbraw/zinc/72/33/32/558723332.db2.gz TXLULFMWYUJMQY-UHFFFAOYSA-N -1 3 351.388 2.423 20 5 FEBDHM COC(=O)c1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1C(C)C ZINC000412399191 559033160 /nfs/dbraw/zinc/03/31/60/559033160.db2.gz ZFSPDPLUORGWDN-UHFFFAOYSA-N -1 3 366.355 2.314 20 5 FEBDHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1C ZINC000414460504 559165401 /nfs/dbraw/zinc/16/54/01/559165401.db2.gz JQCWJQHNVFXCSW-UHFFFAOYSA-N -1 3 363.395 2.288 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000416491859 559317295 /nfs/dbraw/zinc/31/72/95/559317295.db2.gz AIUJCZSATCAITA-SCZZXKLOSA-N -1 3 368.333 2.053 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000416492277 559317324 /nfs/dbraw/zinc/31/73/24/559317324.db2.gz CLBSUIQJVCVPGO-APPZFPTMSA-N -1 3 356.322 2.051 20 5 FEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000416552143 559321297 /nfs/dbraw/zinc/32/12/97/559321297.db2.gz BGCYXDAZDUZBPF-QWHCGFSZSA-N -1 3 360.819 2.484 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000416558148 559321708 /nfs/dbraw/zinc/32/17/08/559321708.db2.gz OKJRPWSCRICQFH-UHFFFAOYSA-N -1 3 368.411 2.383 20 5 FEBDHM COCC1CCC([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000416584299 559323425 /nfs/dbraw/zinc/32/34/25/559323425.db2.gz CYOUWIZNSNVWCG-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000416597945 559324100 /nfs/dbraw/zinc/32/41/00/559324100.db2.gz GLONUOILTWQDCB-QMMMGPOBSA-N -1 3 356.322 2.470 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000416638772 559326788 /nfs/dbraw/zinc/32/67/88/559326788.db2.gz AKNSZGKBAGGPPG-AWEZNQCLSA-N -1 3 364.379 2.153 20 5 FEBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2c(cn1)OCCO2 ZINC000425429243 559701961 /nfs/dbraw/zinc/70/19/61/559701961.db2.gz YHERGEYIMNFBLQ-UHFFFAOYSA-N -1 3 373.321 2.175 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)n1 ZINC000427260929 559751628 /nfs/dbraw/zinc/75/16/28/559751628.db2.gz RKNDEJDBSALRSA-UHFFFAOYSA-N -1 3 365.777 2.419 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000427860524 559764102 /nfs/dbraw/zinc/76/41/02/559764102.db2.gz AQOGVJFYWKWQRS-OAHLLOKOSA-N -1 3 364.423 2.348 20 5 FEBDHM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000432284261 559855431 /nfs/dbraw/zinc/85/54/31/559855431.db2.gz LFUUEGFBTNFKFM-OAHLLOKOSA-N -1 3 366.399 2.031 20 5 FEBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000433880130 559889572 /nfs/dbraw/zinc/88/95/72/559889572.db2.gz ZLNSZAXLDSLFMN-IYNGYCSASA-N -1 3 370.427 2.388 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c1C ZINC000443290805 560078177 /nfs/dbraw/zinc/07/81/77/560078177.db2.gz ZDQJBDDSZJGYDM-AWEZNQCLSA-N -1 3 368.386 2.363 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000443381344 560082720 /nfs/dbraw/zinc/08/27/20/560082720.db2.gz JNCIJMGFXPDUNE-NSHDSACASA-N -1 3 366.395 2.219 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000443494510 560085577 /nfs/dbraw/zinc/08/55/77/560085577.db2.gz WFQXZCXSYPZCBC-OCCSQVGLSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000445706470 560134175 /nfs/dbraw/zinc/13/41/75/560134175.db2.gz DYRIAOMBTKLKHI-LLVKDONJSA-N -1 3 351.384 2.346 20 5 FEBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032665 560155362 /nfs/dbraw/zinc/15/53/62/560155362.db2.gz ZUNNRIVRWUJSCJ-MRVPVSSYSA-N -1 3 356.322 2.317 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CCOCC2)c(C(F)(F)F)c1 ZINC000451676578 560321391 /nfs/dbraw/zinc/32/13/91/560321391.db2.gz SRRGCHFGYNYFMC-UHFFFAOYSA-N -1 3 366.317 2.239 20 5 FEBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)OC ZINC000451680936 560321726 /nfs/dbraw/zinc/32/17/26/560321726.db2.gz MYALIOFMOAJFLH-RNCFNFMXSA-N -1 3 364.395 2.082 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451835351 560331586 /nfs/dbraw/zinc/33/15/86/560331586.db2.gz FIEDJZABSXSPDY-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451928305 560338144 /nfs/dbraw/zinc/33/81/44/560338144.db2.gz DLNLKOQXMOOLEC-GFCCVEGCSA-N -1 3 352.416 2.468 20 5 FEBDHM CCc1ncc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])s1 ZINC000460947538 560756759 /nfs/dbraw/zinc/75/67/59/560756759.db2.gz GJXIWLWIBISQKF-UHFFFAOYSA-N -1 3 356.429 2.004 20 5 FEBDHM Cc1c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cccc1[N+](=O)[O-] ZINC000461634158 560777966 /nfs/dbraw/zinc/77/79/66/560777966.db2.gz XFYFBGVASNKSCS-UHFFFAOYSA-N -1 3 356.338 2.052 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000467079634 560903145 /nfs/dbraw/zinc/90/31/45/560903145.db2.gz PFFPCSKUHXGVDG-UHFFFAOYSA-N -1 3 356.425 2.460 20 5 FEBDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467396957 560909438 /nfs/dbraw/zinc/90/94/38/560909438.db2.gz OTUCUSMXLUKMDA-UHFFFAOYSA-N -1 3 372.424 2.460 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000467397903 560909491 /nfs/dbraw/zinc/90/94/91/560909491.db2.gz BWUOSPKGLGUAII-SNVBAGLBSA-N -1 3 356.429 2.054 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)c([N+](=O)[O-])c1 ZINC000467765437 560916753 /nfs/dbraw/zinc/91/67/53/560916753.db2.gz ATGSVXOHDPICCI-UHFFFAOYSA-N -1 3 372.428 2.057 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1nnc(C(C)C)s1 ZINC000467768780 560916888 /nfs/dbraw/zinc/91/68/88/560916888.db2.gz JDMITBOAUUAJKV-UHFFFAOYSA-N -1 3 372.428 2.057 20 5 FEBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000467788893 560917367 /nfs/dbraw/zinc/91/73/67/560917367.db2.gz RWBIFMXMWWCISK-CYBMUJFWSA-N -1 3 360.432 2.333 20 5 FEBDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469163546 560948772 /nfs/dbraw/zinc/94/87/72/560948772.db2.gz VJAIWOXXJOSORG-ZWNOBZJWSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000469248821 560950965 /nfs/dbraw/zinc/95/09/65/560950965.db2.gz KOMIOWDUAMCKRN-CQSZACIVSA-N -1 3 368.411 2.383 20 5 FEBDHM Cc1oc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000470693321 560987545 /nfs/dbraw/zinc/98/75/45/560987545.db2.gz KWGQUHHCUBUYHQ-UHFFFAOYSA-N -1 3 371.346 2.138 20 5 FEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000474390755 561073101 /nfs/dbraw/zinc/07/31/01/561073101.db2.gz QVGFYHQGWDEPNB-UHFFFAOYSA-N -1 3 362.713 2.371 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CN1CCCCCC1 ZINC000476610215 561124218 /nfs/dbraw/zinc/12/42/18/561124218.db2.gz MEZYRTBXHMDELX-CQSZACIVSA-N -1 3 355.460 2.446 20 5 FEBDHM CC1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000476929316 561132277 /nfs/dbraw/zinc/13/22/77/561132277.db2.gz XKZGREASMUDKAX-UHFFFAOYSA-N -1 3 356.400 2.367 20 5 FEBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(F)ccc1[O-] ZINC000530919353 562428785 /nfs/dbraw/zinc/42/87/85/562428785.db2.gz RIIKITGOVRIEMJ-SNVBAGLBSA-N -1 3 351.338 2.311 20 5 FEBDHM CCOC(=O)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000534093674 562525224 /nfs/dbraw/zinc/52/52/24/562525224.db2.gz CWVSWGNCJJKZJZ-UHFFFAOYSA-N -1 3 360.322 2.495 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535701909 562564612 /nfs/dbraw/zinc/56/46/12/562564612.db2.gz QDSCBNFMWBKWHX-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535701909 562564613 /nfs/dbraw/zinc/56/46/13/562564613.db2.gz QDSCBNFMWBKWHX-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM COc1ccsc1S(=O)(=O)[N-]Cc1cc([N+](=O)[O-])ccc1OC ZINC000541308491 562608524 /nfs/dbraw/zinc/60/85/24/562608524.db2.gz JSQBSKXJYXBPOJ-UHFFFAOYSA-N -1 3 358.397 2.152 20 5 FEBDHM CC(C)[C@H](CCO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820021263 599056879 /nfs/dbraw/zinc/05/68/79/599056879.db2.gz ROJDSZIKDQVOFX-ZDUSSCGKSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)[C@H](CCO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820021263 599056881 /nfs/dbraw/zinc/05/68/81/599056881.db2.gz ROJDSZIKDQVOFX-ZDUSSCGKSA-N -1 3 357.374 2.142 20 5 FEBDHM COC(=O)NCc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736938212 599231246 /nfs/dbraw/zinc/23/12/46/599231246.db2.gz BLRKOKHLTTYDMG-UHFFFAOYSA-N -1 3 369.341 2.375 20 5 FEBDHM COC(=O)NCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736938212 599231249 /nfs/dbraw/zinc/23/12/49/599231249.db2.gz BLRKOKHLTTYDMG-UHFFFAOYSA-N -1 3 369.341 2.375 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738367999 598246386 /nfs/dbraw/zinc/24/63/86/598246386.db2.gz BEOYBODHQCSNDL-NSHDSACASA-N -1 3 355.333 2.303 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738367999 598246388 /nfs/dbraw/zinc/24/63/88/598246388.db2.gz BEOYBODHQCSNDL-NSHDSACASA-N -1 3 355.333 2.303 20 5 FEBDHM CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000820184200 607355484 /nfs/dbraw/zinc/35/54/84/607355484.db2.gz WRMYQZGEWQAZLE-VIFPVBQESA-N -1 3 370.373 2.112 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000738370026 598459495 /nfs/dbraw/zinc/45/94/95/598459495.db2.gz MSNIUIKGTDADBI-UHFFFAOYSA-N -1 3 372.414 2.312 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000738370026 598459496 /nfs/dbraw/zinc/45/94/96/598459496.db2.gz MSNIUIKGTDADBI-UHFFFAOYSA-N -1 3 372.414 2.312 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000738374308 598498815 /nfs/dbraw/zinc/49/88/15/598498815.db2.gz NIUGRODWXAFTIQ-UHFFFAOYSA-N -1 3 367.373 2.299 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000738374308 598498817 /nfs/dbraw/zinc/49/88/17/598498817.db2.gz NIUGRODWXAFTIQ-UHFFFAOYSA-N -1 3 367.373 2.299 20 5 FEBDHM CCN(C)c1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736511275 598502122 /nfs/dbraw/zinc/50/21/22/598502122.db2.gz DUNYVWGWPCICHY-UHFFFAOYSA-N -1 3 354.374 2.238 20 5 FEBDHM CCN(C)c1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736511275 598502124 /nfs/dbraw/zinc/50/21/24/598502124.db2.gz DUNYVWGWPCICHY-UHFFFAOYSA-N -1 3 354.374 2.238 20 5 FEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738231395 598584367 /nfs/dbraw/zinc/58/43/67/598584367.db2.gz MFBIOGYTEGVJDV-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738231395 598584369 /nfs/dbraw/zinc/58/43/69/598584369.db2.gz MFBIOGYTEGVJDV-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737930025 598779684 /nfs/dbraw/zinc/77/96/84/598779684.db2.gz MLOYWQHCMGQUJY-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737930025 598779686 /nfs/dbraw/zinc/77/96/86/598779686.db2.gz MLOYWQHCMGQUJY-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Cc3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370655 599473049 /nfs/dbraw/zinc/47/30/49/599473049.db2.gz XMGNIKDJYIFMKP-GFCCVEGCSA-N -1 3 369.360 2.378 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Cc3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370655 599473051 /nfs/dbraw/zinc/47/30/51/599473051.db2.gz XMGNIKDJYIFMKP-GFCCVEGCSA-N -1 3 369.360 2.378 20 5 FEBDHM CCC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821009441 599552451 /nfs/dbraw/zinc/55/24/51/599552451.db2.gz RIQUMJFHCCJKKE-MRXNPFEDSA-N -1 3 357.374 2.286 20 5 FEBDHM CCC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821009441 599552453 /nfs/dbraw/zinc/55/24/53/599552453.db2.gz RIQUMJFHCCJKKE-MRXNPFEDSA-N -1 3 357.374 2.286 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826212212 607404488 /nfs/dbraw/zinc/40/44/88/607404488.db2.gz KALXGTAIWGWODD-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826212212 607404489 /nfs/dbraw/zinc/40/44/89/607404489.db2.gz KALXGTAIWGWODD-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000826253630 607411419 /nfs/dbraw/zinc/41/14/19/607411419.db2.gz XNBDNEKBICBCLK-UHFFFAOYSA-N -1 3 368.353 2.239 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000826253630 607411420 /nfs/dbraw/zinc/41/14/20/607411420.db2.gz XNBDNEKBICBCLK-UHFFFAOYSA-N -1 3 368.353 2.239 20 5 FEBDHM O=C(CCSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1-c1nnn[n-]1 ZINC000822974333 607467023 /nfs/dbraw/zinc/46/70/23/607467023.db2.gz HRGACPSQHWLFNL-UHFFFAOYSA-N -1 3 371.382 2.291 20 5 FEBDHM O=C(CCSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1-c1nn[n-]n1 ZINC000822974333 607467025 /nfs/dbraw/zinc/46/70/25/607467025.db2.gz HRGACPSQHWLFNL-UHFFFAOYSA-N -1 3 371.382 2.291 20 5 FEBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837288 674515162 /nfs/dbraw/zinc/51/51/62/674515162.db2.gz WVADHUVKEKSJCS-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2F)cc1-c1nnn[n-]1 ZINC000826205838 607602588 /nfs/dbraw/zinc/60/25/88/607602588.db2.gz POVJNJOGWWOAEQ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2F)cc1-c1nn[n-]n1 ZINC000826205838 607602589 /nfs/dbraw/zinc/60/25/89/607602589.db2.gz POVJNJOGWWOAEQ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](CCO)c1ccccc1 ZINC000821618939 606062225 /nfs/dbraw/zinc/06/22/25/606062225.db2.gz BWMDNXZUNVGRNV-OAHLLOKOSA-N -1 3 354.370 2.335 20 5 FEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](CCO)c1ccccc1 ZINC000821618939 606062230 /nfs/dbraw/zinc/06/22/30/606062230.db2.gz BWMDNXZUNVGRNV-OAHLLOKOSA-N -1 3 354.370 2.335 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000810110156 674532506 /nfs/dbraw/zinc/53/25/06/674532506.db2.gz QCPIIDSMQHTVGV-SECBINFHSA-N -1 3 367.221 2.061 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@@H]1c1ccccc1 ZINC000823630281 606477073 /nfs/dbraw/zinc/47/70/73/606477073.db2.gz VLHTXVSIUYYTQB-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@@H]1c1ccccc1 ZINC000823630281 606477075 /nfs/dbraw/zinc/47/70/75/606477075.db2.gz VLHTXVSIUYYTQB-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000821412625 606532611 /nfs/dbraw/zinc/53/26/11/606532611.db2.gz PXQSYUJHIIAVHR-UHFFFAOYSA-N -1 3 369.341 2.008 20 5 FEBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000821412625 606532613 /nfs/dbraw/zinc/53/26/13/606532613.db2.gz PXQSYUJHIIAVHR-UHFFFAOYSA-N -1 3 369.341 2.008 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821699232 606608025 /nfs/dbraw/zinc/60/80/25/606608025.db2.gz HNWFDNZJJAWKLN-UHFFFAOYSA-N -1 3 373.300 2.450 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821699232 606608026 /nfs/dbraw/zinc/60/80/26/606608026.db2.gz HNWFDNZJJAWKLN-UHFFFAOYSA-N -1 3 373.300 2.450 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cn2)c(-c2nnn[n-]2)c1 ZINC000823639971 606723799 /nfs/dbraw/zinc/72/37/99/606723799.db2.gz NUYOXXJWWDMAET-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cn2)c(-c2nn[n-]n2)c1 ZINC000823639971 606723800 /nfs/dbraw/zinc/72/38/00/606723800.db2.gz NUYOXXJWWDMAET-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000823078032 606824383 /nfs/dbraw/zinc/82/43/83/606824383.db2.gz DYZZQGULEMQQJL-UHFFFAOYSA-N -1 3 353.338 2.103 20 5 FEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000823078032 606824385 /nfs/dbraw/zinc/82/43/85/606824385.db2.gz DYZZQGULEMQQJL-UHFFFAOYSA-N -1 3 353.338 2.103 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823640249 606951227 /nfs/dbraw/zinc/95/12/27/606951227.db2.gz YYGLJZCQASOMTO-IAQYHMDHSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823640249 606951229 /nfs/dbraw/zinc/95/12/29/606951229.db2.gz YYGLJZCQASOMTO-IAQYHMDHSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823640248 606951619 /nfs/dbraw/zinc/95/16/19/606951619.db2.gz YYGLJZCQASOMTO-ABAIWWIYSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823640248 606951620 /nfs/dbraw/zinc/95/16/20/606951620.db2.gz YYGLJZCQASOMTO-ABAIWWIYSA-N -1 3 370.369 2.460 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000823426443 606997682 /nfs/dbraw/zinc/99/76/82/606997682.db2.gz IWYWDOJSNJXVSD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000823426443 606997684 /nfs/dbraw/zinc/99/76/84/606997684.db2.gz IWYWDOJSNJXVSD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c(F)cc(F)cc3C2)c(-c2nnn[n-]2)c1 ZINC000823652274 607040781 /nfs/dbraw/zinc/04/07/81/607040781.db2.gz YCPSLNZABXIJAO-UHFFFAOYSA-N -1 3 359.296 2.011 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c(F)cc(F)cc3C2)c(-c2nn[n-]n2)c1 ZINC000823652274 607040782 /nfs/dbraw/zinc/04/07/82/607040782.db2.gz YCPSLNZABXIJAO-UHFFFAOYSA-N -1 3 359.296 2.011 20 5 FEBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822699171 607046484 /nfs/dbraw/zinc/04/64/84/607046484.db2.gz QPWAKYQPEGLLEZ-UHFFFAOYSA-N -1 3 366.135 2.063 20 5 FEBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822699171 607046486 /nfs/dbraw/zinc/04/64/86/607046486.db2.gz QPWAKYQPEGLLEZ-UHFFFAOYSA-N -1 3 366.135 2.063 20 5 FEBDHM COc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821786953 607247748 /nfs/dbraw/zinc/24/77/48/607247748.db2.gz MBAPDBNLKQWHIX-UHFFFAOYSA-N -1 3 373.300 2.071 20 5 FEBDHM COc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821786953 607247749 /nfs/dbraw/zinc/24/77/49/607247749.db2.gz MBAPDBNLKQWHIX-UHFFFAOYSA-N -1 3 373.300 2.071 20 5 FEBDHM COc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826177130 607787597 /nfs/dbraw/zinc/78/75/97/607787597.db2.gz SOBRGGITVUUNLG-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826177130 607787598 /nfs/dbraw/zinc/78/75/98/607787598.db2.gz SOBRGGITVUUNLG-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM C[C@@H](O)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824708014 607849331 /nfs/dbraw/zinc/84/93/31/607849331.db2.gz WHRHAUDCNIGDDZ-GFCCVEGCSA-N -1 3 354.370 2.162 20 5 FEBDHM C[C@@H](O)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824708014 607849332 /nfs/dbraw/zinc/84/93/32/607849332.db2.gz WHRHAUDCNIGDDZ-GFCCVEGCSA-N -1 3 354.370 2.162 20 5 FEBDHM CCC[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000825261291 607969602 /nfs/dbraw/zinc/96/96/02/607969602.db2.gz VZBUYTPGNARETA-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM CCC[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000825261291 607969603 /nfs/dbraw/zinc/96/96/03/607969603.db2.gz VZBUYTPGNARETA-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826272365 608052364 /nfs/dbraw/zinc/05/23/64/608052364.db2.gz FZHZRQBCLIYJRN-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826272365 608052365 /nfs/dbraw/zinc/05/23/65/608052365.db2.gz FZHZRQBCLIYJRN-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824480643 608433639 /nfs/dbraw/zinc/43/36/39/608433639.db2.gz ZNPHIVWFPCYCCT-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824480643 608433640 /nfs/dbraw/zinc/43/36/40/608433640.db2.gz ZNPHIVWFPCYCCT-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826212443 608444420 /nfs/dbraw/zinc/44/44/20/608444420.db2.gz QTHPKDWCDIPRQA-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826212443 608444421 /nfs/dbraw/zinc/44/44/21/608444421.db2.gz QTHPKDWCDIPRQA-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826330176 609616358 /nfs/dbraw/zinc/61/63/58/609616358.db2.gz IIQFPEMIWBKMTN-UHFFFAOYSA-N -1 3 374.744 2.489 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826330176 609616360 /nfs/dbraw/zinc/61/63/60/609616360.db2.gz IIQFPEMIWBKMTN-UHFFFAOYSA-N -1 3 374.744 2.489 20 5 FEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000609850951 675939270 /nfs/dbraw/zinc/93/92/70/675939270.db2.gz PISYZUGHRJHEHJ-LLVKDONJSA-N -1 3 364.807 2.114 20 5 FEBDHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000130374335 672074557 /nfs/dbraw/zinc/07/45/57/672074557.db2.gz WDDDSKWKTREVBQ-UHFFFAOYSA-N -1 3 371.806 2.269 20 5 FEBDHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000583846062 672131172 /nfs/dbraw/zinc/13/11/72/672131172.db2.gz XIEQJWKDDHPQEQ-UHFFFAOYSA-N -1 3 364.358 2.099 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(F)cc1 ZINC000159060619 672276884 /nfs/dbraw/zinc/27/68/84/672276884.db2.gz DNQKKSKUNHJCJD-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000586774019 672433204 /nfs/dbraw/zinc/43/32/04/672433204.db2.gz LTZQDUDHEVETAQ-UHFFFAOYSA-N -1 3 354.306 2.224 20 5 FEBDHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593532375 672935493 /nfs/dbraw/zinc/93/54/93/672935493.db2.gz PROSIUMACHBZHV-UHFFFAOYSA-N -1 3 365.411 2.436 20 5 FEBDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cs1 ZINC000593540478 672938013 /nfs/dbraw/zinc/93/80/13/672938013.db2.gz XWCDPCPOQLVYQU-UHFFFAOYSA-N -1 3 356.429 2.091 20 5 FEBDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000593544988 672939153 /nfs/dbraw/zinc/93/91/53/672939153.db2.gz SDWZJSVYNRTQNW-UHFFFAOYSA-N -1 3 370.456 2.265 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(F)c1 ZINC000593556872 672942247 /nfs/dbraw/zinc/94/22/47/672942247.db2.gz AIUFHETUGKVRFU-CYBMUJFWSA-N -1 3 369.374 2.265 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)nc1 ZINC000593556783 672942348 /nfs/dbraw/zinc/94/23/48/672942348.db2.gz JPXQIPMTTOKSAK-UHFFFAOYSA-N -1 3 363.395 2.257 20 5 FEBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593558562 672942663 /nfs/dbraw/zinc/94/26/63/672942663.db2.gz VNGVLYYXOXFDIJ-AWEZNQCLSA-N -1 3 357.432 2.254 20 5 FEBDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573401 672947878 /nfs/dbraw/zinc/94/78/78/672947878.db2.gz QOXTWXOLMQFNQD-ZUZCIYMTSA-N -1 3 369.374 2.183 20 5 FEBDHM C[C@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750482 673129104 /nfs/dbraw/zinc/12/91/04/673129104.db2.gz JCSOFTLWBDUYNB-STQMWFEESA-N -1 3 370.475 2.025 20 5 FEBDHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754083 673130060 /nfs/dbraw/zinc/13/00/60/673130060.db2.gz OELNINMGJJEJLC-CYBMUJFWSA-N -1 3 370.475 2.169 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000594802122 673148164 /nfs/dbraw/zinc/14/81/64/673148164.db2.gz UYZKTLBEMVYDPS-NSHDSACASA-N -1 3 368.333 2.053 20 5 FEBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000596210667 673368313 /nfs/dbraw/zinc/36/83/13/673368313.db2.gz LVFAJLHFCSTQDS-SECBINFHSA-N -1 3 357.288 2.376 20 5 FEBDHM O=C(Nc1ncccc1[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000543095122 673624946 /nfs/dbraw/zinc/62/49/46/673624946.db2.gz HMDCKAJYWCMOLO-VIFPVBQESA-N -1 3 362.367 2.000 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000761104424 680711095 /nfs/dbraw/zinc/71/10/95/680711095.db2.gz SUCAVXLQKDBGCV-SECBINFHSA-N -1 3 368.367 2.322 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)c1cccc(F)c1 ZINC000751488792 680182507 /nfs/dbraw/zinc/18/25/07/680182507.db2.gz WDFRRCWFITXSPX-PSLIRLAXSA-N -1 3 372.349 2.273 20 5 FEBDHM CCN(CC)Cc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000770258655 681010756 /nfs/dbraw/zinc/01/07/56/681010756.db2.gz KWTYTLAHJWFWFU-UHFFFAOYSA-N -1 3 351.388 2.246 20 5 FEBDHM C[C@@](O)(C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000848583242 681583671 /nfs/dbraw/zinc/58/36/71/681583671.db2.gz AGHLYWRGBUWSOG-CQSZACIVSA-N -1 3 356.281 2.183 20 5 FEBDHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853456563 682416614 /nfs/dbraw/zinc/41/66/14/682416614.db2.gz ROUMGDYYADCNTI-WDEREUQCSA-N -1 3 352.391 2.435 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000788915858 682565863 /nfs/dbraw/zinc/56/58/63/682565863.db2.gz FJBDGWJEOWRTBE-UHFFFAOYSA-N -1 3 362.713 2.371 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](N(C)C)C(F)(F)F ZINC000921636778 683528183 /nfs/dbraw/zinc/52/81/83/683528183.db2.gz UGRQKAGSMLZYJU-NSHDSACASA-N -1 3 369.365 2.064 20 5 FEBDHM C[C@H]1CC2(CC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CO1 ZINC000907723495 691546320 /nfs/dbraw/zinc/54/63/20/691546320.db2.gz ISRHWRNJHUIZCL-IPWFMCSPSA-N -1 3 360.819 2.484 20 5 FEBDHM CC1(C)CC2(CC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)CO1 ZINC000908001870 691596125 /nfs/dbraw/zinc/59/61/25/691596125.db2.gz SKUNGNJDKGTVHJ-UHFFFAOYSA-N -1 3 358.391 2.360 20 5 FEBDHM CC(C)NC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000030995363 539895688 /nfs/dbraw/zinc/89/56/88/539895688.db2.gz NGOKJACVYQWWSL-UHFFFAOYSA-N -1 3 359.342 2.065 20 5 FEBDHM CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccsc1 ZINC000031985865 539925545 /nfs/dbraw/zinc/92/55/45/539925545.db2.gz MFSRSSOCMOSNDJ-AWEZNQCLSA-N -1 3 364.427 2.158 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1F ZINC000800928246 674090597 /nfs/dbraw/zinc/09/05/97/674090597.db2.gz KQJWNKZIUXNWHB-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1ncc(C)s1 ZINC000186737433 548183263 /nfs/dbraw/zinc/18/32/63/548183263.db2.gz UCQJDAQMTRSCMT-SECBINFHSA-N -1 3 371.440 2.450 20 5 FEBDHM Cc1ccc([C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000187060112 548249609 /nfs/dbraw/zinc/24/96/09/548249609.db2.gz HRIMSNUCQCGSIW-CQSZACIVSA-N -1 3 360.370 2.164 20 5 FEBDHM CC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000193989548 548417971 /nfs/dbraw/zinc/41/79/71/548417971.db2.gz VLGISGWEUJXKPZ-INIZCTEOSA-N -1 3 370.409 2.432 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000486825205 561357625 /nfs/dbraw/zinc/35/76/25/561357625.db2.gz SXMCGLCFEAMRAI-GDGBQDQQSA-N -1 3 361.217 2.434 20 5 FEBDHM CS(=O)(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000487301004 561367416 /nfs/dbraw/zinc/36/74/16/561367416.db2.gz OGIAQJKHVRUNKT-UHFFFAOYSA-N -1 3 371.758 2.005 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245566768 548947701 /nfs/dbraw/zinc/94/77/01/548947701.db2.gz XHENBEOGTZDMPH-LERXQTSPSA-N -1 3 372.830 2.484 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2cnc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1 ZINC000489014161 561401514 /nfs/dbraw/zinc/40/15/14/561401514.db2.gz QUTMMWVZBYHPSP-UHFFFAOYSA-N -1 3 370.243 2.443 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1 ZINC000490423985 561432831 /nfs/dbraw/zinc/43/28/31/561432831.db2.gz RYKFOGXLSURSFN-GFCCVEGCSA-N -1 3 365.386 2.291 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000268949266 550135958 /nfs/dbraw/zinc/13/59/58/550135958.db2.gz DWCQYPNUCWBXIY-GFCCVEGCSA-N -1 3 370.427 2.374 20 5 FEBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269456952 550198356 /nfs/dbraw/zinc/19/83/56/550198356.db2.gz FXQAOMRVFFOYQE-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000493903963 561459171 /nfs/dbraw/zinc/45/91/71/561459171.db2.gz BRAJVWDPEVGDMO-ZCFIWIBFSA-N -1 3 360.285 2.362 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1[N+](=O)[O-] ZINC000280377195 550987018 /nfs/dbraw/zinc/98/70/18/550987018.db2.gz VHLKGSDOZVIRIC-NSHDSACASA-N -1 3 366.399 2.321 20 5 FEBDHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000282188910 551192249 /nfs/dbraw/zinc/19/22/49/551192249.db2.gz DYNMCEIFQFCYPE-UHFFFAOYSA-N -1 3 373.822 2.073 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC(=O)c2ccccc21 ZINC000498876944 561536679 /nfs/dbraw/zinc/53/66/79/561536679.db2.gz QZKVWYHTRPGXEM-CYBMUJFWSA-N -1 3 362.363 2.209 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCO)c(C(F)(F)F)c1 ZINC000289046020 552257625 /nfs/dbraw/zinc/25/76/25/552257625.db2.gz CYYWOIYHDQFXRO-UHFFFAOYSA-N -1 3 356.322 2.055 20 5 FEBDHM Cc1nc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)ncc1[N+](=O)[O-] ZINC000295003263 552950673 /nfs/dbraw/zinc/95/06/73/552950673.db2.gz AFVXQADMUVYDIT-UHFFFAOYSA-N -1 3 357.370 2.254 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)cc1C ZINC000502658399 561622939 /nfs/dbraw/zinc/62/29/39/561622939.db2.gz JYPZYPFZBZZYRM-AWEZNQCLSA-N -1 3 362.407 2.494 20 5 FEBDHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320767487 553765649 /nfs/dbraw/zinc/76/56/49/553765649.db2.gz POAREGHUZAOBLR-UHFFFAOYSA-N -1 3 358.807 2.191 20 5 FEBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000326373529 553780459 /nfs/dbraw/zinc/78/04/59/553780459.db2.gz ZVXWQMJOUKKASI-WDEREUQCSA-N -1 3 358.416 2.484 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507380840 561727205 /nfs/dbraw/zinc/72/72/05/561727205.db2.gz MJOCKQKXRTVHQT-KBPBESRZSA-N -1 3 355.460 2.444 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000507550621 561732919 /nfs/dbraw/zinc/73/29/19/561732919.db2.gz YVQJKOSFTMRLNL-GFCCVEGCSA-N -1 3 364.379 2.022 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000330872053 554181357 /nfs/dbraw/zinc/18/13/57/554181357.db2.gz RMWSAQFTKWJTAL-UHFFFAOYSA-N -1 3 368.333 2.293 20 5 FEBDHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000510636444 561841531 /nfs/dbraw/zinc/84/15/31/561841531.db2.gz DMYWWIZGHNCDOP-UHFFFAOYSA-N -1 3 358.354 2.242 20 5 FEBDHM Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367770628 556134807 /nfs/dbraw/zinc/13/48/07/556134807.db2.gz HRAMVJRHPQZWEY-GFCCVEGCSA-N -1 3 374.372 2.399 20 5 FEBDHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368423502 556304994 /nfs/dbraw/zinc/30/49/94/556304994.db2.gz XKEDEUUWTPBUQP-GFCCVEGCSA-N -1 3 367.365 2.110 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000515760795 562021311 /nfs/dbraw/zinc/02/13/11/562021311.db2.gz NCMIVRUZXQVCIB-DOMZBBRYSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000369577935 556636723 /nfs/dbraw/zinc/63/67/23/556636723.db2.gz RCOVMYUVPXDVGG-UHFFFAOYSA-N -1 3 357.370 2.116 20 5 FEBDHM Cc1nnc2n1CCC[C@@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000370050881 556767234 /nfs/dbraw/zinc/76/72/34/556767234.db2.gz TWPHYXMOYWIBGU-LBPRGKRZSA-N -1 3 351.313 2.238 20 5 FEBDHM Cc1cn(-c2cccnc2)nc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000370328854 556841100 /nfs/dbraw/zinc/84/11/00/556841100.db2.gz ZQKJSQMICDFORJ-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000371724382 557275199 /nfs/dbraw/zinc/27/51/99/557275199.db2.gz AINAFQCJWWTOMJ-LLVKDONJSA-N -1 3 368.342 2.155 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2ncn(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000371827919 557304699 /nfs/dbraw/zinc/30/46/99/557304699.db2.gz BGHWKKGAYXRIFI-UHFFFAOYSA-N -1 3 369.297 2.039 20 5 FEBDHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000372775584 557560556 /nfs/dbraw/zinc/56/05/56/557560556.db2.gz KDUCLEWFLXMFSK-ZDUSSCGKSA-N -1 3 364.427 2.208 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)c2ncccn2)c1[N+](=O)[O-] ZINC000519802188 562144411 /nfs/dbraw/zinc/14/44/11/562144411.db2.gz SRBZEDLLGDEBNC-UHFFFAOYSA-N -1 3 350.400 2.215 20 5 FEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000373087830 557625804 /nfs/dbraw/zinc/62/58/04/557625804.db2.gz NBSXYVUTHCOBFE-UHFFFAOYSA-N -1 3 359.367 2.489 20 5 FEBDHM Cc1cc(C(=O)NC[C@H]2COC3(CCCCCC3)O2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375085675 557975404 /nfs/dbraw/zinc/97/54/04/557975404.db2.gz UCMJWOYOGFHUCM-LBPRGKRZSA-N -1 3 365.386 2.200 20 5 FEBDHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000521731945 562182971 /nfs/dbraw/zinc/18/29/71/562182971.db2.gz FIFJFCVHMQLHGG-UHFFFAOYSA-N -1 3 372.312 2.178 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000521772182 562183371 /nfs/dbraw/zinc/18/33/71/562183371.db2.gz FXZVEIGKDIBCBV-NEPJUHHUSA-N -1 3 359.423 2.275 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000392581538 558618062 /nfs/dbraw/zinc/61/80/62/558618062.db2.gz CHQBPSVFXVOXTM-UHFFFAOYSA-N -1 3 368.411 2.096 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC(F)F ZINC000410178196 558744193 /nfs/dbraw/zinc/74/41/93/558744193.db2.gz CXROQZVUNKAZEB-MWLCHTKSSA-N -1 3 350.343 2.424 20 5 FEBDHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000525938872 562260464 /nfs/dbraw/zinc/26/04/64/562260464.db2.gz ANHUDMFQYOSWFS-UHFFFAOYSA-N -1 3 373.387 2.103 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416382726 559309034 /nfs/dbraw/zinc/30/90/34/559309034.db2.gz BDIKTYJYRPSXPJ-GFCCVEGCSA-N -1 3 368.333 2.319 20 5 FEBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416462922 559314908 /nfs/dbraw/zinc/31/49/08/559314908.db2.gz TZHDBPNIRONXSI-VIFPVBQESA-N -1 3 356.322 2.053 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416463852 559315025 /nfs/dbraw/zinc/31/50/25/559315025.db2.gz FBNPVAVVGYRDLI-SSDOTTSWSA-N -1 3 370.305 2.001 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000416468275 559315469 /nfs/dbraw/zinc/31/54/69/559315469.db2.gz FFZYAQFVFFYKIW-WCBMZHEXSA-N -1 3 368.333 2.053 20 5 FEBDHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486456 559316946 /nfs/dbraw/zinc/31/69/46/559316946.db2.gz IOWXXHPXCUHYAS-SECBINFHSA-N -1 3 370.349 2.156 20 5 FEBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416496986 559317800 /nfs/dbraw/zinc/31/78/00/559317800.db2.gz RRXIYNVXVGCVRR-MRVPVSSYSA-N -1 3 368.242 2.132 20 5 FEBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1C)Cc1ccc([O-])c(F)c1 ZINC000420640182 559494677 /nfs/dbraw/zinc/49/46/77/559494677.db2.gz SMBQPLAOIRNYRA-LBPRGKRZSA-N -1 3 363.345 2.587 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2n[nH]nc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000435703831 559928580 /nfs/dbraw/zinc/92/85/80/559928580.db2.gz HPKCEDUAWDMTOT-UHFFFAOYSA-N -1 3 367.321 2.419 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436912440 559956161 /nfs/dbraw/zinc/95/61/61/559956161.db2.gz WUTXNSRUMCAFFS-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000443271859 560077215 /nfs/dbraw/zinc/07/72/15/560077215.db2.gz JNUQIKBNVLJCDJ-UHFFFAOYSA-N -1 3 360.432 2.213 20 5 FEBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ncc1Br ZINC000445141160 560129719 /nfs/dbraw/zinc/12/97/19/560129719.db2.gz UWRRSSFMVRJXBO-UHFFFAOYSA-N -1 3 369.131 2.114 20 5 FEBDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000445754675 560134780 /nfs/dbraw/zinc/13/47/80/560134780.db2.gz AKBKWMJILJCOJO-OAHLLOKOSA-N -1 3 360.407 2.344 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cnc(C)[n-]c1=O ZINC000447803502 560169363 /nfs/dbraw/zinc/16/93/63/560169363.db2.gz AQKVVLJPNUEWRX-UHFFFAOYSA-N -1 3 352.734 2.451 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451664782 560320769 /nfs/dbraw/zinc/32/07/69/560320769.db2.gz OZWPQSXQVDXPHG-OAHLLOKOSA-N -1 3 364.423 2.439 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000451807200 560329904 /nfs/dbraw/zinc/32/99/04/560329904.db2.gz YBLCVXUOYMBXHY-GFCCVEGCSA-N -1 3 370.427 2.231 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451850675 560332273 /nfs/dbraw/zinc/33/22/73/560332273.db2.gz ILVUBWMGTOUKIR-CZUORRHYSA-N -1 3 374.459 2.171 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451853072 560332434 /nfs/dbraw/zinc/33/24/34/560332434.db2.gz LGQHPQKUNHEECR-UKRRQHHQSA-N -1 3 358.460 2.471 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCF)c(Br)c1 ZINC000462131527 560798532 /nfs/dbraw/zinc/79/85/32/560798532.db2.gz YZYUMPMQKMFILZ-UHFFFAOYSA-N -1 3 355.185 2.385 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C(C)(C)C1(C)C ZINC000468819267 560939560 /nfs/dbraw/zinc/93/95/60/560939560.db2.gz CSTXFVSXKBIFCT-UHFFFAOYSA-N -1 3 356.400 2.094 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC000469163196 560948670 /nfs/dbraw/zinc/94/86/70/560948670.db2.gz OUTHUAVNUWXXQV-GHMZBOCLSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473956479 561062169 /nfs/dbraw/zinc/06/21/69/561062169.db2.gz MLNHZNYVGSXLFU-GHMZBOCLSA-N -1 3 361.489 2.363 20 5 FEBDHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000476680666 561126002 /nfs/dbraw/zinc/12/60/02/561126002.db2.gz KTNUQBBZLCDLPS-UHFFFAOYSA-N -1 3 358.354 2.430 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533819642 562518989 /nfs/dbraw/zinc/51/89/89/562518989.db2.gz OQJSQOXAKFPZIL-HNNXBMFYSA-N -1 3 361.423 2.368 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000533913015 562521196 /nfs/dbraw/zinc/52/11/96/562521196.db2.gz HKPGNZAEYFMIJS-INIZCTEOSA-N -1 3 363.395 2.428 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)o1 ZINC000534743556 562541657 /nfs/dbraw/zinc/54/16/57/562541657.db2.gz STJHFRARYVGTBJ-UHFFFAOYSA-N -1 3 353.400 2.337 20 5 FEBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc([O-])c1F ZINC000535658827 562563546 /nfs/dbraw/zinc/56/35/46/562563546.db2.gz TYDSJJZUOOHJAG-UHFFFAOYSA-N -1 3 367.720 2.461 20 5 FEBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000535689870 562564293 /nfs/dbraw/zinc/56/42/93/562564293.db2.gz LWAJYNKPHJAPHW-MRVPVSSYSA-N -1 3 373.822 2.277 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000540738002 562592321 /nfs/dbraw/zinc/59/23/21/562592321.db2.gz TXFCDSJPUNEPLL-OCCSQVGLSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1cccc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c1F ZINC000541005811 562600164 /nfs/dbraw/zinc/60/01/64/562600164.db2.gz AYESUOYGQYXJBG-UHFFFAOYSA-N -1 3 353.375 2.433 20 5 FEBDHM COc1ccc(OCCSc2nc3nncc-3c(O)[n-]2)c([N+](=O)[O-])c1 ZINC000541124776 562603708 /nfs/dbraw/zinc/60/37/08/562603708.db2.gz YNUQECBOSTZUEE-UHFFFAOYSA-N -1 3 363.355 2.146 20 5 FEBDHM Cc1cc(N2CCN(CC3CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570098908 568450823 /nfs/dbraw/zinc/45/08/23/568450823.db2.gz YHVBUHGFAONZBG-UHFFFAOYSA-N -1 3 363.414 2.150 20 5 FEBDHM COCCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989142 599116223 /nfs/dbraw/zinc/11/62/23/599116223.db2.gz VXZSPWRPHZGWRE-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM COCCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989142 599116225 /nfs/dbraw/zinc/11/62/25/599116225.db2.gz VXZSPWRPHZGWRE-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737500698 599173781 /nfs/dbraw/zinc/17/37/81/599173781.db2.gz OIUHEDQVUVCONX-ZDUSSCGKSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737500698 599173783 /nfs/dbraw/zinc/17/37/83/599173783.db2.gz OIUHEDQVUVCONX-ZDUSSCGKSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737511809 598340078 /nfs/dbraw/zinc/34/00/78/598340078.db2.gz UDWKTOIDGDLZFF-CQSZACIVSA-N -1 3 368.401 2.467 20 5 FEBDHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737511809 598340083 /nfs/dbraw/zinc/34/00/83/598340083.db2.gz UDWKTOIDGDLZFF-CQSZACIVSA-N -1 3 368.401 2.467 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738371701 598389009 /nfs/dbraw/zinc/38/90/09/598389009.db2.gz WWNUYBHIPVAVJM-GFCCVEGCSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738371701 598389011 /nfs/dbraw/zinc/38/90/11/598389011.db2.gz WWNUYBHIPVAVJM-GFCCVEGCSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000738371648 598459999 /nfs/dbraw/zinc/45/99/99/598459999.db2.gz VVCCFGPUGWFBSV-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000738371648 598460000 /nfs/dbraw/zinc/46/00/00/598460000.db2.gz VVCCFGPUGWFBSV-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737920284 598702171 /nfs/dbraw/zinc/70/21/71/598702171.db2.gz QKCOBTBXGNUAES-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737920284 598702172 /nfs/dbraw/zinc/70/21/72/598702172.db2.gz QKCOBTBXGNUAES-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=[N+]([O-])c1ncccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738374651 598756452 /nfs/dbraw/zinc/75/64/52/598756452.db2.gz RRAJAWDVXUOORS-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM COc1ccc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821846712 599318276 /nfs/dbraw/zinc/31/82/76/599318276.db2.gz YHWWGMBGOZHFFA-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM COc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821846712 599318278 /nfs/dbraw/zinc/31/82/78/599318278.db2.gz YHWWGMBGOZHFFA-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820390175 599537272 /nfs/dbraw/zinc/53/72/72/599537272.db2.gz FUVMPIZWRSFLLJ-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820390175 599537275 /nfs/dbraw/zinc/53/72/75/599537275.db2.gz FUVMPIZWRSFLLJ-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM CCOCCN(CC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821378469 599544872 /nfs/dbraw/zinc/54/48/72/599544872.db2.gz OUQLMLKCGOHXDN-UHFFFAOYSA-N -1 3 357.374 2.186 20 5 FEBDHM CCOCCN(CC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821378469 599544874 /nfs/dbraw/zinc/54/48/74/599544874.db2.gz OUQLMLKCGOHXDN-UHFFFAOYSA-N -1 3 357.374 2.186 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826212285 607560538 /nfs/dbraw/zinc/56/05/38/607560538.db2.gz LVONJQZHIJBTOE-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826212285 607560540 /nfs/dbraw/zinc/56/05/40/607560540.db2.gz LVONJQZHIJBTOE-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM C[C@](CNC(=O)[O-])(NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000824952275 604340325 /nfs/dbraw/zinc/34/03/25/604340325.db2.gz MDROSEIYDYLSMT-OAHLLOKOSA-N -1 3 370.793 2.213 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000826245618 607694078 /nfs/dbraw/zinc/69/40/78/607694078.db2.gz CYLVQMFRTXZETN-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000826245618 607694079 /nfs/dbraw/zinc/69/40/79/607694079.db2.gz CYLVQMFRTXZETN-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(C2CCOCC2)CC1 ZINC000826497322 607739526 /nfs/dbraw/zinc/73/95/26/607739526.db2.gz CIKJRVUQPNUWPF-UHFFFAOYSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(C2CCOCC2)CC1 ZINC000826497322 607739527 /nfs/dbraw/zinc/73/95/27/607739527.db2.gz CIKJRVUQPNUWPF-UHFFFAOYSA-N -1 3 358.402 2.418 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820121668 606234966 /nfs/dbraw/zinc/23/49/66/606234966.db2.gz UMZHJZOQSHGHLB-UHFFFAOYSA-N -1 3 369.385 2.164 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820121668 606234967 /nfs/dbraw/zinc/23/49/67/606234967.db2.gz UMZHJZOQSHGHLB-UHFFFAOYSA-N -1 3 369.385 2.164 20 5 FEBDHM C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495296 606349516 /nfs/dbraw/zinc/34/95/16/606349516.db2.gz GVUDYHKCMWJTOX-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495296 606349518 /nfs/dbraw/zinc/34/95/18/606349518.db2.gz GVUDYHKCMWJTOX-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000823241730 606813260 /nfs/dbraw/zinc/81/32/60/606813260.db2.gz FFLRJIHEPLXIKE-UHFFFAOYSA-N -1 3 364.774 2.420 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000823241730 606813261 /nfs/dbraw/zinc/81/32/61/606813261.db2.gz FFLRJIHEPLXIKE-UHFFFAOYSA-N -1 3 364.774 2.420 20 5 FEBDHM CNC(=O)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821634960 606944402 /nfs/dbraw/zinc/94/44/02/606944402.db2.gz CVLZCNWMGRQWDW-UHFFFAOYSA-N -1 3 356.367 2.286 20 5 FEBDHM CNC(=O)c1ccc(Sc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821634960 606944403 /nfs/dbraw/zinc/94/44/03/606944403.db2.gz CVLZCNWMGRQWDW-UHFFFAOYSA-N -1 3 356.367 2.286 20 5 FEBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823405922 606946056 /nfs/dbraw/zinc/94/60/56/606946056.db2.gz XSVSIZZYDWDPMY-UHFFFAOYSA-N -1 3 369.337 2.401 20 5 FEBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823405922 606946058 /nfs/dbraw/zinc/94/60/58/606946058.db2.gz XSVSIZZYDWDPMY-UHFFFAOYSA-N -1 3 369.337 2.401 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823640251 606951443 /nfs/dbraw/zinc/95/14/43/606951443.db2.gz YYGLJZCQASOMTO-XHDPSFHLSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823640251 606951445 /nfs/dbraw/zinc/95/14/45/606951445.db2.gz YYGLJZCQASOMTO-XHDPSFHLSA-N -1 3 370.369 2.460 20 5 FEBDHM CNc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821637494 606988493 /nfs/dbraw/zinc/98/84/93/606988493.db2.gz IEOKNXRJMQPNAC-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM CNc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821637494 606988494 /nfs/dbraw/zinc/98/84/94/606988494.db2.gz IEOKNXRJMQPNAC-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823040171 606989080 /nfs/dbraw/zinc/98/90/80/606989080.db2.gz DYSXQZQVLBJTCN-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823040171 606989081 /nfs/dbraw/zinc/98/90/81/606989081.db2.gz DYSXQZQVLBJTCN-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822496846 607048195 /nfs/dbraw/zinc/04/81/95/607048195.db2.gz UZQRGYGDDYASJV-ZDUSSCGKSA-N -1 3 354.374 2.158 20 5 FEBDHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822496846 607048197 /nfs/dbraw/zinc/04/81/97/607048197.db2.gz UZQRGYGDDYASJV-ZDUSSCGKSA-N -1 3 354.374 2.158 20 5 FEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000823629644 607166514 /nfs/dbraw/zinc/16/65/14/607166514.db2.gz CYBQFMOERVFDHB-UHFFFAOYSA-N -1 3 367.354 2.106 20 5 FEBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000823629644 607166515 /nfs/dbraw/zinc/16/65/15/607166515.db2.gz CYBQFMOERVFDHB-UHFFFAOYSA-N -1 3 367.354 2.106 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1cc(F)ccc1F ZINC000826497449 607873638 /nfs/dbraw/zinc/87/36/38/607873638.db2.gz HRMUFIPVNIXALT-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cc(F)ccc1F ZINC000826497449 607873639 /nfs/dbraw/zinc/87/36/39/607873639.db2.gz HRMUFIPVNIXALT-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826498946 608052920 /nfs/dbraw/zinc/05/29/20/608052920.db2.gz PPBHDUYQZNLHJL-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826498946 608052921 /nfs/dbraw/zinc/05/29/21/608052921.db2.gz PPBHDUYQZNLHJL-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826497816 608296357 /nfs/dbraw/zinc/29/63/57/608296357.db2.gz VTVYZFBIBZZMJJ-QWHCGFSZSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826497816 608296359 /nfs/dbraw/zinc/29/63/59/608296359.db2.gz VTVYZFBIBZZMJJ-QWHCGFSZSA-N -1 3 358.402 2.418 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826172629 608346401 /nfs/dbraw/zinc/34/64/01/608346401.db2.gz PKDGJPPOZVSSDS-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826172629 608346402 /nfs/dbraw/zinc/34/64/02/608346402.db2.gz PKDGJPPOZVSSDS-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM CCN(C[C@@H]1CCCO1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825415930 608373965 /nfs/dbraw/zinc/37/39/65/608373965.db2.gz FUFYUUBGJSYBLX-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM CCN(C[C@@H]1CCCO1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825415930 608373967 /nfs/dbraw/zinc/37/39/67/608373967.db2.gz FUFYUUBGJSYBLX-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM O=[N+]([O-])c1ccc(CCNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826498037 609464858 /nfs/dbraw/zinc/46/48/58/609464858.db2.gz FBQPZPGIQFOVIW-UHFFFAOYSA-N -1 3 350.342 2.077 20 5 FEBDHM O=[N+]([O-])c1ccc(CCNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826498037 609464860 /nfs/dbraw/zinc/46/48/60/609464860.db2.gz FBQPZPGIQFOVIW-UHFFFAOYSA-N -1 3 350.342 2.077 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]CC(C)(F)F)c(C)c1[N+](=O)[O-] ZINC000815066540 674909915 /nfs/dbraw/zinc/90/99/15/674909915.db2.gz SIMMZDSXVTUOEH-UHFFFAOYSA-N -1 3 353.303 2.053 20 5 FEBDHM Cc1nc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nn1C ZINC000817018508 675093051 /nfs/dbraw/zinc/09/30/51/675093051.db2.gz IJBRGHWCDFFWPZ-UHFFFAOYSA-N -1 3 358.127 2.186 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000577763489 671618809 /nfs/dbraw/zinc/61/88/09/671618809.db2.gz AIUZRDOZJBVTIW-UHFFFAOYSA-N -1 3 370.818 2.442 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000119314861 671896270 /nfs/dbraw/zinc/89/62/70/671896270.db2.gz MIRQWIPHDDPJGJ-BJOHPYRUSA-N -1 3 372.349 2.273 20 5 FEBDHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119465997 671899855 /nfs/dbraw/zinc/89/98/55/671899855.db2.gz YCPRDHQMXLGIHN-AWEZNQCLSA-N -1 3 354.359 2.054 20 5 FEBDHM Cn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1Cl ZINC000124535330 671998495 /nfs/dbraw/zinc/99/84/95/671998495.db2.gz SGRJSPXSJKOZRB-UHFFFAOYSA-N -1 3 358.807 2.195 20 5 FEBDHM C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862758 672486770 /nfs/dbraw/zinc/48/67/70/672486770.db2.gz SLLWWJPOSRTRFR-RKDXNWHRSA-N -1 3 364.383 2.150 20 5 FEBDHM CC(=O)NCCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000263447273 672933276 /nfs/dbraw/zinc/93/32/76/672933276.db2.gz YFUDRVUGDPBPAJ-GFCCVEGCSA-N -1 3 351.403 2.129 20 5 FEBDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547460 672939562 /nfs/dbraw/zinc/93/95/62/672939562.db2.gz PVRAOVMACLMLST-FZMZJTMJSA-N -1 3 357.432 2.109 20 5 FEBDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)n1 ZINC000593551594 672940448 /nfs/dbraw/zinc/94/04/48/672940448.db2.gz AKGUEINBSVDTQB-GFCCVEGCSA-N -1 3 354.413 2.184 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCc2nc(C)ncc21 ZINC000734848327 673474633 /nfs/dbraw/zinc/47/46/33/673474633.db2.gz NGWYAFDWLDHZND-AWEZNQCLSA-N -1 3 362.411 2.358 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000738360528 673618960 /nfs/dbraw/zinc/61/89/60/673618960.db2.gz JPHCMMZUJAYRMR-UHFFFAOYSA-N -1 3 357.775 2.130 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)o1 ZINC000545524440 673773064 /nfs/dbraw/zinc/77/30/64/673773064.db2.gz ZPUWWOFKCLOHMJ-UHFFFAOYSA-N -1 3 364.339 2.121 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822201079 675472785 /nfs/dbraw/zinc/47/27/85/675472785.db2.gz PVJKQJXIGNPWHN-UHFFFAOYSA-N -1 3 361.749 2.328 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822201079 675472787 /nfs/dbraw/zinc/47/27/87/675472787.db2.gz PVJKQJXIGNPWHN-UHFFFAOYSA-N -1 3 361.749 2.328 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])[n-]1 ZINC000619448702 676376930 /nfs/dbraw/zinc/37/69/30/676376930.db2.gz CCFPENZUQFQCBN-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c[n-]1 ZINC000619448702 676376931 /nfs/dbraw/zinc/37/69/31/676376931.db2.gz CCFPENZUQFQCBN-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000619448872 676376944 /nfs/dbraw/zinc/37/69/44/676376944.db2.gz JLEJACVHJRFZIE-MRVPVSSYSA-N -1 3 350.306 2.376 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c[n-]1 ZINC000619448872 676376947 /nfs/dbraw/zinc/37/69/47/676376947.db2.gz JLEJACVHJRFZIE-MRVPVSSYSA-N -1 3 350.306 2.376 20 5 FEBDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1C ZINC000762962625 680767496 /nfs/dbraw/zinc/76/74/96/680767496.db2.gz KTEHULGGQXPXJJ-UHFFFAOYSA-N -1 3 368.367 2.484 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2c(n1)CCCC2 ZINC000840950986 680856317 /nfs/dbraw/zinc/85/63/17/680856317.db2.gz QKDANVDGYSYAMH-UHFFFAOYSA-N -1 3 353.425 2.461 20 5 FEBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1[O-] ZINC000748124731 679933458 /nfs/dbraw/zinc/93/34/58/679933458.db2.gz JVTIPIPGCDYRTA-UHFFFAOYSA-N -1 3 356.132 2.116 20 5 FEBDHM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N-]C(=O)c1cccs1 ZINC000750536024 680121434 /nfs/dbraw/zinc/12/14/34/680121434.db2.gz STTGJKHUVOLBOD-UHFFFAOYSA-N -1 3 368.754 2.423 20 5 FEBDHM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000751278666 680165485 /nfs/dbraw/zinc/16/54/85/680165485.db2.gz DPQLCZLLFGXCAO-JTQLQIEISA-N -1 3 370.349 2.299 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1cccc(F)c1 ZINC000751488791 680182530 /nfs/dbraw/zinc/18/25/30/680182530.db2.gz WDFRRCWFITXSPX-BJOHPYRUSA-N -1 3 372.349 2.273 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c[nH]1 ZINC000753954399 680326688 /nfs/dbraw/zinc/32/66/88/680326688.db2.gz URWJTDHSNIQKCY-UHFFFAOYSA-N -1 3 359.747 2.164 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000754242594 680344818 /nfs/dbraw/zinc/34/48/18/680344818.db2.gz ZGCZLSFAOLOULY-VIFPVBQESA-N -1 3 368.889 2.375 20 5 FEBDHM CN(C)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCC1 ZINC000795946067 683111631 /nfs/dbraw/zinc/11/16/31/683111631.db2.gz USRRRQKXEDHOFN-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921859394 683597300 /nfs/dbraw/zinc/59/73/00/683597300.db2.gz FBRHNLLIESAWBZ-SKDRFNHKSA-N -1 3 368.333 2.149 20 5 FEBDHM CN(C)C(=O)Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000053796428 540554267 /nfs/dbraw/zinc/55/42/67/540554267.db2.gz LDVWGTAHIJNUMO-UHFFFAOYSA-N -1 3 367.365 2.354 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c(F)c1 ZINC000056043842 540696463 /nfs/dbraw/zinc/69/64/63/540696463.db2.gz AXTMKAGSZMOQOR-LBPRGKRZSA-N -1 3 352.343 2.016 20 5 FEBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])s1 ZINC000058537420 540848121 /nfs/dbraw/zinc/84/81/21/540848121.db2.gz MIUZKCINSRYSNL-UHFFFAOYSA-N -1 3 369.424 2.379 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)cc1C ZINC000065793607 541261922 /nfs/dbraw/zinc/26/19/22/541261922.db2.gz CUBHZTSJWLOWBP-SNVBAGLBSA-N -1 3 370.349 2.457 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000072989716 541904733 /nfs/dbraw/zinc/90/47/33/541904733.db2.gz PQEUGBUGHRWWOD-INIZCTEOSA-N -1 3 363.439 2.484 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000096996771 543002150 /nfs/dbraw/zinc/00/21/50/543002150.db2.gz SHTSEZOMDNMFQU-OAHLLOKOSA-N -1 3 367.402 2.315 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000097444639 543010923 /nfs/dbraw/zinc/01/09/23/543010923.db2.gz MDPGLXUJONUCTI-UHFFFAOYSA-N -1 3 358.379 2.259 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000106891488 543252892 /nfs/dbraw/zinc/25/28/92/543252892.db2.gz OUDPXJGKTSGMIR-LLVKDONJSA-N -1 3 357.407 2.029 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000106891489 543253085 /nfs/dbraw/zinc/25/30/85/543253085.db2.gz OUDPXJGKTSGMIR-NSHDSACASA-N -1 3 357.407 2.029 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000119730918 543671434 /nfs/dbraw/zinc/67/14/34/543671434.db2.gz QHSUHHRIZJMXMI-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123111536 543742804 /nfs/dbraw/zinc/74/28/04/543742804.db2.gz XWFFTXLYLYPKDE-LLVKDONJSA-N -1 3 354.409 2.247 20 5 FEBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123114827 543743620 /nfs/dbraw/zinc/74/36/20/543743620.db2.gz JHAXFUHIJGQILV-UHFFFAOYSA-N -1 3 369.424 2.402 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000124056769 543798962 /nfs/dbraw/zinc/79/89/62/543798962.db2.gz WYXCQZYGSYXCBA-ZJUUUORDSA-N -1 3 359.835 2.152 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124858399 543847032 /nfs/dbraw/zinc/84/70/32/543847032.db2.gz ZBHHGCLXTHPAFR-UONOGXRCSA-N -1 3 362.835 2.468 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000125437040 543881256 /nfs/dbraw/zinc/88/12/56/543881256.db2.gz BTIGLSGEHRFWJK-GFCCVEGCSA-N -1 3 370.814 2.303 20 5 FEBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000128796919 544073818 /nfs/dbraw/zinc/07/38/18/544073818.db2.gz QOOQHCBCMOKDPE-SNVBAGLBSA-N -1 3 350.824 2.324 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000149592320 544458453 /nfs/dbraw/zinc/45/84/53/544458453.db2.gz SHVDDIYTTNFZAN-UHFFFAOYSA-N -1 3 354.322 2.142 20 5 FEBDHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000151160155 544511460 /nfs/dbraw/zinc/51/14/60/544511460.db2.gz JYHRDMCWRGBJCZ-UHFFFAOYSA-N -1 3 367.358 2.237 20 5 FEBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1-c1ccccc1F ZINC000154348258 544894359 /nfs/dbraw/zinc/89/43/59/544894359.db2.gz SGKWYHNHZGFKPM-UHFFFAOYSA-N -1 3 356.317 2.466 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCCCCO)c1 ZINC000180324824 327681244 /nfs/dbraw/zinc/68/12/44/327681244.db2.gz DDOWMIFARXQPLX-UHFFFAOYSA-N -1 3 350.824 2.388 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184397871 327865729 /nfs/dbraw/zinc/86/57/29/327865729.db2.gz GHDLWZBOQLRCDK-HNNXBMFYSA-N -1 3 350.396 2.402 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186238781 327953363 /nfs/dbraw/zinc/95/33/63/327953363.db2.gz XHXZDWMOHBEYDF-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCc2ccccn2)cc1[N+](=O)[O-] ZINC000187494937 328029791 /nfs/dbraw/zinc/02/97/91/328029791.db2.gz QZKLIRJRJXLRPZ-UHFFFAOYSA-N -1 3 369.374 2.049 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c1C ZINC000187989148 328058476 /nfs/dbraw/zinc/05/84/76/328058476.db2.gz WDKSALLNNGOIEU-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccc(N(C)C)n2)c1[N+](=O)[O-] ZINC000190087772 328187363 /nfs/dbraw/zinc/18/73/63/328187363.db2.gz XVGNXEUDBDRILH-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000010090544 324366224 /nfs/dbraw/zinc/36/62/24/324366224.db2.gz HPZNVEZJHIXWLC-MRXNPFEDSA-N -1 3 363.439 2.484 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CCCC1 ZINC000079278606 325084353 /nfs/dbraw/zinc/08/43/53/325084353.db2.gz FMNINEUMAAHGCG-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088463771 325294755 /nfs/dbraw/zinc/29/47/55/325294755.db2.gz JLTINVUGMCANAS-UHFFFAOYSA-N -1 3 355.350 2.457 20 5 FEBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000093931770 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CC(C)(NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000490238788 561429348 /nfs/dbraw/zinc/42/93/48/561429348.db2.gz DGHIZMLOKZYEAP-UHFFFAOYSA-N -1 3 372.307 2.466 20 5 FEBDHM CC(C)(NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000490238788 561429349 /nfs/dbraw/zinc/42/93/49/561429349.db2.gz DGHIZMLOKZYEAP-UHFFFAOYSA-N -1 3 372.307 2.466 20 5 FEBDHM CC(C)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC000490238788 561429350 /nfs/dbraw/zinc/42/93/50/561429350.db2.gz DGHIZMLOKZYEAP-UHFFFAOYSA-N -1 3 372.307 2.466 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)cc1C ZINC000268809253 550118812 /nfs/dbraw/zinc/11/88/12/550118812.db2.gz SVQKVTLPKDLIST-GFCCVEGCSA-N -1 3 350.400 2.291 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c(Cl)c1 ZINC000268810316 550118958 /nfs/dbraw/zinc/11/89/58/550118958.db2.gz TWRUUZVWVHCOMB-NSHDSACASA-N -1 3 356.791 2.327 20 5 FEBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000492207947 561450163 /nfs/dbraw/zinc/45/01/63/561450163.db2.gz HOJASKBXNKWEFX-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc([C@H](C)O)cc1 ZINC000269761301 550223231 /nfs/dbraw/zinc/22/32/31/550223231.db2.gz CWMNSXMBEWRECK-NSHDSACASA-N -1 3 366.395 2.135 20 5 FEBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000270576325 550285463 /nfs/dbraw/zinc/28/54/63/550285463.db2.gz OQZWOLBWIVAWBM-QMMMGPOBSA-N -1 3 373.822 2.277 20 5 FEBDHM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]1 ZINC000270576325 550285465 /nfs/dbraw/zinc/28/54/65/550285465.db2.gz OQZWOLBWIVAWBM-QMMMGPOBSA-N -1 3 373.822 2.277 20 5 FEBDHM CN1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cn2)CC1 ZINC000273904663 550515268 /nfs/dbraw/zinc/51/52/68/550515268.db2.gz QCAQHHOBISEGLE-UHFFFAOYSA-N -1 3 369.385 2.177 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOC2CCOCC2)c1[N+](=O)[O-] ZINC000276808331 550598437 /nfs/dbraw/zinc/59/84/37/550598437.db2.gz 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CN(C)c1cc(F)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000279225916 550866882 /nfs/dbraw/zinc/86/68/82/550866882.db2.gz PPPHJTGWHRITTL-UHFFFAOYSA-N -1 3 362.243 2.189 20 5 FEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([C@H]2CCCOC2)n[nH]1 ZINC000280187664 550969159 /nfs/dbraw/zinc/96/91/59/550969159.db2.gz CUJSYGUZIQYCBO-NSHDSACASA-N -1 3 366.399 2.321 20 5 FEBDHM COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000286076399 551845742 /nfs/dbraw/zinc/84/57/42/551845742.db2.gz MNMLJMIVXOJJAI-OAHLLOKOSA-N -1 3 359.382 2.342 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@H](O)c1ccccc1 ZINC000288454320 552156032 /nfs/dbraw/zinc/15/60/32/552156032.db2.gz RRYWUQMDRXLYHF-ZBEGNZNMSA-N -1 3 366.395 2.004 20 5 FEBDHM O=c1nc([C@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH][n-]1 ZINC000289460153 552325400 /nfs/dbraw/zinc/32/54/00/552325400.db2.gz QAPWTFJALKQKSS-LBPRGKRZSA-N -1 3 370.369 2.041 20 5 FEBDHM CN(C)c1cccnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 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O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376062141 558121584 /nfs/dbraw/zinc/12/15/84/558121584.db2.gz PANGOVAHYPMWLH-VQFNDLOPSA-N -1 3 353.378 2.161 20 5 FEBDHM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C2 ZINC000377187839 558284525 /nfs/dbraw/zinc/28/45/25/558284525.db2.gz HTLZDOOPGNVEQO-ZDUSSCGKSA-N -1 3 364.427 2.010 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1sccc1C ZINC000392536406 558617737 /nfs/dbraw/zinc/61/77/37/558617737.db2.gz GCMYFTPEBWTHIX-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000416408355 559310697 /nfs/dbraw/zinc/31/06/97/559310697.db2.gz PLPPQIVPCWMHNT-BDAKNGLRSA-N -1 3 368.333 2.317 20 5 FEBDHM C[C@H](CO)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416442332 559313107 /nfs/dbraw/zinc/31/31/07/559313107.db2.gz SYNQFXAIRJFDNO-VIFPVBQESA-N -1 3 370.349 2.301 20 5 FEBDHM CC(C)(O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416466423 559315324 /nfs/dbraw/zinc/31/53/24/559315324.db2.gz QLVYWNLWYKHUIN-UHFFFAOYSA-N -1 3 356.322 2.053 20 5 FEBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416469872 559315613 /nfs/dbraw/zinc/31/56/13/559315613.db2.gz KWHXGWXFABWSTN-NXEZZACHSA-N -1 3 368.333 2.459 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000416609051 559325063 /nfs/dbraw/zinc/32/50/63/559325063.db2.gz TZCLVNJMCOWMLR-QMMMGPOBSA-N -1 3 356.322 2.470 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000416609050 559325085 /nfs/dbraw/zinc/32/50/85/559325085.db2.gz TZCLVNJMCOWMLR-MRVPVSSYSA-N -1 3 356.322 2.470 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(C)C ZINC000416615145 559325300 /nfs/dbraw/zinc/32/53/00/559325300.db2.gz GSQRVGSYYQVIDE-YPMHNXCESA-N -1 3 350.824 2.322 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1COCc2ccccc21 ZINC000416638778 559326780 /nfs/dbraw/zinc/32/67/80/559326780.db2.gz AKNSZGKBAGGPPG-CQSZACIVSA-N -1 3 364.379 2.153 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c1 ZINC000416647162 559327394 /nfs/dbraw/zinc/32/73/94/559327394.db2.gz MJCBLQHERHPQMK-MRVPVSSYSA-N -1 3 361.217 2.436 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000416651264 559327637 /nfs/dbraw/zinc/32/76/37/559327637.db2.gz CZWQLXUINZMRGA-ZDUSSCGKSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(C)nc(C)c1 ZINC000420695560 559498849 /nfs/dbraw/zinc/49/88/49/559498849.db2.gz FNWMBAULYGTXEW-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000420764566 559503037 /nfs/dbraw/zinc/50/30/37/559503037.db2.gz PFGAMLHSEKXSRN-CYBMUJFWSA-N -1 3 372.443 2.074 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCNC(=O)c1ccc([O-])cc1 ZINC000436851835 559954315 /nfs/dbraw/zinc/95/43/15/559954315.db2.gz MQZBGOWNSBBFLN-UHFFFAOYSA-N -1 3 373.365 2.237 20 5 FEBDHM Cn1cccc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000439226582 559990464 /nfs/dbraw/zinc/99/04/64/559990464.db2.gz AYJCPBYCHJWRMR-UHFFFAOYSA-N -1 3 374.216 2.174 20 5 FEBDHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440040142 560003583 /nfs/dbraw/zinc/00/35/83/560003583.db2.gz VTQKPLXCPZGGLL-UHFFFAOYSA-N -1 3 359.338 2.398 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000443267466 560076980 /nfs/dbraw/zinc/07/69/80/560076980.db2.gz ALTFEZVNLWNFRW-ZDUSSCGKSA-N -1 3 354.359 2.054 20 5 FEBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000443279315 560077520 /nfs/dbraw/zinc/07/75/20/560077520.db2.gz YEBHBJHNFDZSAU-UHFFFAOYSA-N -1 3 360.432 2.213 20 5 FEBDHM CS(=O)(=O)c1ccccc1-n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000443523104 560086416 /nfs/dbraw/zinc/08/64/16/560086416.db2.gz OQABQGSLJSZYRE-UHFFFAOYSA-N -1 3 365.396 2.384 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447935993 560173859 /nfs/dbraw/zinc/17/38/59/560173859.db2.gz LJSDEVHWLXWOQI-LBPRGKRZSA-N -1 3 361.489 2.363 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c([N+](=O)[O-])c1 ZINC000452048446 560347800 /nfs/dbraw/zinc/34/78/00/560347800.db2.gz QAABYQCVVCXMLS-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000456102527 560507033 /nfs/dbraw/zinc/50/70/33/560507033.db2.gz DMINQAQLQRVCEZ-AWEZNQCLSA-N -1 3 371.459 2.204 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461624112 560777664 /nfs/dbraw/zinc/77/76/64/560777664.db2.gz OQTNYRCAWBTDSS-UHFFFAOYSA-N -1 3 356.338 2.052 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000461788661 560783607 /nfs/dbraw/zinc/78/36/07/560783607.db2.gz ATFWAANOBWTSOM-ZDUSSCGKSA-N -1 3 372.443 2.071 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000463576183 560819090 /nfs/dbraw/zinc/81/90/90/560819090.db2.gz NJBCLVNYCVNVEC-UHFFFAOYSA-N -1 3 368.342 2.367 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C ZINC000466928426 560899591 /nfs/dbraw/zinc/89/95/91/560899591.db2.gz CUHCXFOSLWOTIV-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467052497 560902466 /nfs/dbraw/zinc/90/24/66/560902466.db2.gz ZDWXMMDFQGFDAW-UHFFFAOYSA-N -1 3 364.445 2.365 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467068606 560902793 /nfs/dbraw/zinc/90/27/93/560902793.db2.gz LOAINGIPUJSAIT-NSHDSACASA-N -1 3 360.388 2.116 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)cc1C ZINC000472701156 561033357 /nfs/dbraw/zinc/03/33/57/561033357.db2.gz CKROTJXBAVSVSH-LBPRGKRZSA-N -1 3 356.425 2.285 20 5 FEBDHM C[C@@]1(c2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)NC(=O)[N-]C1=O ZINC000473350446 561048060 /nfs/dbraw/zinc/04/80/60/561048060.db2.gz NEUPKIASLXRKPM-KRWDZBQOSA-N -1 3 372.312 2.041 20 5 FEBDHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143992 561137779 /nfs/dbraw/zinc/13/77/79/561137779.db2.gz YUYCKALIEJBPIE-FVOPLDGLSA-N -1 3 356.400 2.079 20 5 FEBDHM Cc1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000534601615 562538083 /nfs/dbraw/zinc/53/80/83/562538083.db2.gz MKPDIRFVIFREEN-UHFFFAOYSA-N -1 3 358.354 2.047 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC000534978416 562546698 /nfs/dbraw/zinc/54/66/98/562546698.db2.gz YRZPUNDYJQYTPU-JTQLQIEISA-N -1 3 353.404 2.184 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000535143177 562551902 /nfs/dbraw/zinc/55/19/02/562551902.db2.gz OQAWQQJKQGBNDN-QVQLBTGDSA-N -1 3 368.436 2.372 20 5 FEBDHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000545928886 562631337 /nfs/dbraw/zinc/63/13/37/562631337.db2.gz PSCDXJPPRQTKKQ-UHFFFAOYSA-N -1 3 352.734 2.329 20 5 FEBDHM Cc1ccc(NCCCNc2ncccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737360849 598856720 /nfs/dbraw/zinc/85/67/20/598856720.db2.gz CQWMSYANAUXAMB-UHFFFAOYSA-N -1 3 354.374 2.392 20 5 FEBDHM Cc1ccc(NCCCNc2ncccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737360849 598856721 /nfs/dbraw/zinc/85/67/21/598856721.db2.gz CQWMSYANAUXAMB-UHFFFAOYSA-N -1 3 354.374 2.392 20 5 FEBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738268701 598892855 /nfs/dbraw/zinc/89/28/55/598892855.db2.gz NDXHIIRLNWMGQJ-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738268701 598892856 /nfs/dbraw/zinc/89/28/56/598892856.db2.gz NDXHIIRLNWMGQJ-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM CC(C)[C@@H](CCO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820021261 599056086 /nfs/dbraw/zinc/05/60/86/599056086.db2.gz ROJDSZIKDQVOFX-CYBMUJFWSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)[C@@H](CCO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820021261 599056089 /nfs/dbraw/zinc/05/60/89/599056089.db2.gz ROJDSZIKDQVOFX-CYBMUJFWSA-N -1 3 357.374 2.142 20 5 FEBDHM COc1ccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821837754 599074411 /nfs/dbraw/zinc/07/44/11/599074411.db2.gz GYWUYOCXVBPLPW-SNVBAGLBSA-N -1 3 371.357 2.058 20 5 FEBDHM COc1ccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821837754 599074415 /nfs/dbraw/zinc/07/44/15/599074415.db2.gz GYWUYOCXVBPLPW-SNVBAGLBSA-N -1 3 371.357 2.058 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)c1c(F)cccc1F ZINC000738357923 599169949 /nfs/dbraw/zinc/16/99/49/599169949.db2.gz IYRKERQCEWHRJB-GFCCVEGCSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)c1c(F)cccc1F ZINC000738357923 599169952 /nfs/dbraw/zinc/16/99/52/599169952.db2.gz IYRKERQCEWHRJB-GFCCVEGCSA-N -1 3 362.296 2.199 20 5 FEBDHM Cc1c(NC(=O)NCc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822103420 607285026 /nfs/dbraw/zinc/28/50/26/607285026.db2.gz GIILHWBUTXWKRF-UHFFFAOYSA-N -1 3 353.342 2.405 20 5 FEBDHM Cc1c(NC(=O)NCc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822103420 607285027 /nfs/dbraw/zinc/28/50/27/607285027.db2.gz GIILHWBUTXWKRF-UHFFFAOYSA-N -1 3 353.342 2.405 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](c2ccccc2F)C1 ZINC000738357640 598458337 /nfs/dbraw/zinc/45/83/37/598458337.db2.gz GVPSMPIPKUZUKF-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccccc2F)C1 ZINC000738357640 598458339 /nfs/dbraw/zinc/45/83/39/598458339.db2.gz GVPSMPIPKUZUKF-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159089 598485924 /nfs/dbraw/zinc/48/59/24/598485924.db2.gz ULAWBKCFUGHYQL-SECBINFHSA-N -1 3 354.326 2.275 20 5 FEBDHM C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159089 598485926 /nfs/dbraw/zinc/48/59/26/598485926.db2.gz ULAWBKCFUGHYQL-SECBINFHSA-N -1 3 354.326 2.275 20 5 FEBDHM CCOC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736602656 598499280 /nfs/dbraw/zinc/49/92/80/598499280.db2.gz IWIGEOCNNMGXOS-UHFFFAOYSA-N -1 3 370.329 2.482 20 5 FEBDHM CCOC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736602656 598499281 /nfs/dbraw/zinc/49/92/81/598499281.db2.gz IWIGEOCNNMGXOS-UHFFFAOYSA-N -1 3 370.329 2.482 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737115137 598585098 /nfs/dbraw/zinc/58/50/98/598585098.db2.gz KRURINQTFHCTFR-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737115137 598585100 /nfs/dbraw/zinc/58/51/00/598585100.db2.gz KRURINQTFHCTFR-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820334741 599523860 /nfs/dbraw/zinc/52/38/60/599523860.db2.gz PIBMYWUASKAIRP-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820334741 599523863 /nfs/dbraw/zinc/52/38/63/599523863.db2.gz PIBMYWUASKAIRP-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM COc1ccc(OCCN2Cc3ccccc3C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000565601094 600981129 /nfs/dbraw/zinc/98/11/29/600981129.db2.gz SVDGNEYMEKNBJP-QGZVFWFLSA-N -1 3 372.377 2.494 20 5 FEBDHM O=C(CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000831431980 603987773 /nfs/dbraw/zinc/98/77/73/603987773.db2.gz FOQPFHMLOQITKY-OLZOCXBDSA-N -1 3 362.386 2.140 20 5 FEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820178063 606232118 /nfs/dbraw/zinc/23/21/18/606232118.db2.gz GRYZZEOWJKBFLY-UHFFFAOYSA-N -1 3 372.341 2.247 20 5 FEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820178063 606232120 /nfs/dbraw/zinc/23/21/20/606232120.db2.gz GRYZZEOWJKBFLY-UHFFFAOYSA-N -1 3 372.341 2.247 20 5 FEBDHM C[S@](=O)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821941361 606430697 /nfs/dbraw/zinc/43/06/97/606430697.db2.gz FFPAGKYISSMGNB-VWLOTQADSA-N -1 3 358.383 2.124 20 5 FEBDHM C[S@](=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821941361 606430699 /nfs/dbraw/zinc/43/06/99/606430699.db2.gz FFPAGKYISSMGNB-VWLOTQADSA-N -1 3 358.383 2.124 20 5 FEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823409387 606564701 /nfs/dbraw/zinc/56/47/01/606564701.db2.gz FWYOOPVBBBBDGA-UHFFFAOYSA-N -1 3 361.339 2.072 20 5 FEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823409387 606564702 /nfs/dbraw/zinc/56/47/02/606564702.db2.gz FWYOOPVBBBBDGA-UHFFFAOYSA-N -1 3 361.339 2.072 20 5 FEBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C)c1[N+](=O)[O-] ZINC000822500883 606589258 /nfs/dbraw/zinc/58/92/58/606589258.db2.gz KZWFNOVWJWZTNN-UHFFFAOYSA-N -1 3 365.300 2.238 20 5 FEBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(C)c1[N+](=O)[O-] ZINC000822500883 606589260 /nfs/dbraw/zinc/58/92/60/606589260.db2.gz KZWFNOVWJWZTNN-UHFFFAOYSA-N -1 3 365.300 2.238 20 5 FEBDHM CC[C@@H](CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820902425 606724625 /nfs/dbraw/zinc/72/46/25/606724625.db2.gz KZFWUSYKDAEJKU-JTQLQIEISA-N -1 3 357.374 2.144 20 5 FEBDHM CC[C@@H](CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820902425 606724627 /nfs/dbraw/zinc/72/46/27/606724627.db2.gz KZFWUSYKDAEJKU-JTQLQIEISA-N -1 3 357.374 2.144 20 5 FEBDHM COC(=O)c1cc(OCc2cc(F)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821668153 607027476 /nfs/dbraw/zinc/02/74/76/607027476.db2.gz RTRQIJUXIVZESE-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1cc(OCc2cc(F)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821668153 607027479 /nfs/dbraw/zinc/02/74/79/607027479.db2.gz RTRQIJUXIVZESE-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000821123738 607040924 /nfs/dbraw/zinc/04/09/24/607040924.db2.gz WYAFUMYAOSKJHD-UHFFFAOYSA-N -1 3 356.346 2.177 20 5 FEBDHM CC(=O)c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000824029521 607873329 /nfs/dbraw/zinc/87/33/29/607873329.db2.gz LZDSAULEYJPOPV-HNNXBMFYSA-N -1 3 369.337 2.090 20 5 FEBDHM CC(=O)c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029521 607873330 /nfs/dbraw/zinc/87/33/30/607873330.db2.gz LZDSAULEYJPOPV-HNNXBMFYSA-N -1 3 369.337 2.090 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824670751 607902988 /nfs/dbraw/zinc/90/29/88/607902988.db2.gz UYJDZHWUMUTDPV-BGGANLFTSA-N -1 3 373.398 2.080 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824670751 607902989 /nfs/dbraw/zinc/90/29/89/607902989.db2.gz UYJDZHWUMUTDPV-BGGANLFTSA-N -1 3 373.398 2.080 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCC2Cc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000826500609 607904167 /nfs/dbraw/zinc/90/41/67/607904167.db2.gz FEEBHPOPHOXXOO-UHFFFAOYSA-N -1 3 351.370 2.387 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCC2Cc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000826500609 607904168 /nfs/dbraw/zinc/90/41/68/607904168.db2.gz FEEBHPOPHOXXOO-UHFFFAOYSA-N -1 3 351.370 2.387 20 5 FEBDHM Cc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ncn1 ZINC000826267013 607934985 /nfs/dbraw/zinc/93/49/85/607934985.db2.gz LWDMSTKKGTTWKD-UHFFFAOYSA-N -1 3 363.341 2.034 20 5 FEBDHM Cc1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)ncn1 ZINC000826267013 607934986 /nfs/dbraw/zinc/93/49/86/607934986.db2.gz LWDMSTKKGTTWKD-UHFFFAOYSA-N -1 3 363.341 2.034 20 5 FEBDHM COc1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1-c1nnn[n-]1 ZINC000826195302 607942712 /nfs/dbraw/zinc/94/27/12/607942712.db2.gz OQFJUPASUASARA-UHFFFAOYSA-N -1 3 366.381 2.342 20 5 FEBDHM COc1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1-c1nn[n-]n1 ZINC000826195302 607942713 /nfs/dbraw/zinc/94/27/13/607942713.db2.gz OQFJUPASUASARA-UHFFFAOYSA-N -1 3 366.381 2.342 20 5 FEBDHM COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1O ZINC000826193014 608016287 /nfs/dbraw/zinc/01/62/87/608016287.db2.gz MHFYIUFOBTXYCK-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1O ZINC000826193014 608016288 /nfs/dbraw/zinc/01/62/88/608016288.db2.gz MHFYIUFOBTXYCK-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826293358 608052324 /nfs/dbraw/zinc/05/23/24/608052324.db2.gz LYTYYCJPECBTQA-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826293358 608052325 /nfs/dbraw/zinc/05/23/25/608052325.db2.gz LYTYYCJPECBTQA-OAHLLOKOSA-N -1 3 367.369 2.056 20 5 FEBDHM O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826498160 608052868 /nfs/dbraw/zinc/05/28/68/608052868.db2.gz JKJIHVWUDSATNN-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826498160 608052869 /nfs/dbraw/zinc/05/28/69/608052869.db2.gz JKJIHVWUDSATNN-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM CC[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180660 608160892 /nfs/dbraw/zinc/16/08/92/608160892.db2.gz AAMXBSFXMMCXBP-LDYMZIIASA-N -1 3 366.765 2.324 20 5 FEBDHM CC[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180660 608160893 /nfs/dbraw/zinc/16/08/93/608160893.db2.gz AAMXBSFXMMCXBP-LDYMZIIASA-N -1 3 366.765 2.324 20 5 FEBDHM CC1(OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824843807 608160981 /nfs/dbraw/zinc/16/09/81/608160981.db2.gz KRJYFKGFIJOVJI-UHFFFAOYSA-N -1 3 366.765 2.326 20 5 FEBDHM CC1(OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824843807 608160982 /nfs/dbraw/zinc/16/09/82/608160982.db2.gz KRJYFKGFIJOVJI-UHFFFAOYSA-N -1 3 366.765 2.326 20 5 FEBDHM COc1ccc(COCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826206912 608237936 /nfs/dbraw/zinc/23/79/36/608237936.db2.gz QTDWYILWXIDGSV-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COc1ccc(COCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826206912 608237937 /nfs/dbraw/zinc/23/79/37/608237937.db2.gz QTDWYILWXIDGSV-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826172933 608260577 /nfs/dbraw/zinc/26/05/77/608260577.db2.gz FENKFXCUFGJVFM-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826172933 608260578 /nfs/dbraw/zinc/26/05/78/608260578.db2.gz FENKFXCUFGJVFM-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826499006 608296557 /nfs/dbraw/zinc/29/65/57/608296557.db2.gz RMORXZIUWMQEPN-STQMWFEESA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499006 608296559 /nfs/dbraw/zinc/29/65/59/608296559.db2.gz RMORXZIUWMQEPN-STQMWFEESA-N -1 3 358.402 2.418 20 5 FEBDHM Cc1nn(C)c(C)c1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826333680 608414443 /nfs/dbraw/zinc/41/44/43/608414443.db2.gz QUGUOZQPWNNXEP-UHFFFAOYSA-N -1 3 356.390 2.170 20 5 FEBDHM Cc1nn(C)c(C)c1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826333680 608414444 /nfs/dbraw/zinc/41/44/44/608414444.db2.gz QUGUOZQPWNNXEP-UHFFFAOYSA-N -1 3 356.390 2.170 20 5 FEBDHM C[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCOC1 ZINC000824784257 609283833 /nfs/dbraw/zinc/28/38/33/609283833.db2.gz QAMLZZHOKIKCQQ-CQSZACIVSA-N -1 3 366.765 2.184 20 5 FEBDHM C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCOC1 ZINC000824784257 609283836 /nfs/dbraw/zinc/28/38/36/609283836.db2.gz QAMLZZHOKIKCQQ-CQSZACIVSA-N -1 3 366.765 2.184 20 5 FEBDHM Cc1cc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826267513 609284329 /nfs/dbraw/zinc/28/43/29/609284329.db2.gz IZGHVMLANXEGJF-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1cc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826267513 609284331 /nfs/dbraw/zinc/28/43/31/609284331.db2.gz IZGHVMLANXEGJF-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc2ccccn2c1-c1nnn[n-]1 ZINC000825985823 609459430 /nfs/dbraw/zinc/45/94/30/609459430.db2.gz BUOFHKRDIKWXFV-UHFFFAOYSA-N -1 3 350.342 2.059 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc2ccccn2c1-c1nn[n-]n1 ZINC000825985823 609459432 /nfs/dbraw/zinc/45/94/32/609459432.db2.gz BUOFHKRDIKWXFV-UHFFFAOYSA-N -1 3 350.342 2.059 20 5 FEBDHM CO[C@H]1Cc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2C1 ZINC000826147241 609592969 /nfs/dbraw/zinc/59/29/69/609592969.db2.gz QNNRRGFXPUWWQW-ZDUSSCGKSA-N -1 3 353.342 2.027 20 5 FEBDHM CO[C@H]1Cc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2C1 ZINC000826147241 609592970 /nfs/dbraw/zinc/59/29/70/609592970.db2.gz QNNRRGFXPUWWQW-ZDUSSCGKSA-N -1 3 353.342 2.027 20 5 FEBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000053671465 670326017 /nfs/dbraw/zinc/32/60/17/670326017.db2.gz SBIMSHLVHDXZIV-UHFFFAOYSA-N -1 3 369.330 2.163 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120989420 671939894 /nfs/dbraw/zinc/93/98/94/671939894.db2.gz AQYBVMXXXDHGIG-UHFFFAOYSA-N -1 3 367.720 2.348 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000126304417 672023457 /nfs/dbraw/zinc/02/34/57/672023457.db2.gz KEFUSHAQIRGDAK-GXSJLCMTSA-N -1 3 359.835 2.152 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000159411018 672281626 /nfs/dbraw/zinc/28/16/26/672281626.db2.gz RZMBMZBMLLXLRZ-CQSZACIVSA-N -1 3 354.359 2.054 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(CO)c2)c(F)cc1[N+](=O)[O-] ZINC000590590876 672593902 /nfs/dbraw/zinc/59/39/02/672593902.db2.gz KRSDADMVXJYKJJ-UHFFFAOYSA-N -1 3 354.359 2.013 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)nc1 ZINC000593561828 672943671 /nfs/dbraw/zinc/94/36/71/672943671.db2.gz PPBIENSZJVVHAU-CQSZACIVSA-N -1 3 365.436 2.299 20 5 FEBDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cs1 ZINC000593568913 672945930 /nfs/dbraw/zinc/94/59/30/672945930.db2.gz KLAFIJQZEYFJFW-UHFFFAOYSA-N -1 3 370.456 2.265 20 5 FEBDHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000593607379 672957110 /nfs/dbraw/zinc/95/71/10/672957110.db2.gz FHDKVARWPDWDEN-NWDGAFQWSA-N -1 3 357.432 2.250 20 5 FEBDHM CSc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccn1 ZINC000538972487 673469088 /nfs/dbraw/zinc/46/90/88/673469088.db2.gz FXOKSOICSZGJFZ-UHFFFAOYSA-N -1 3 353.425 2.499 20 5 FEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597442612 673478059 /nfs/dbraw/zinc/47/80/59/673478059.db2.gz MKWAPVMQJHMEKZ-ZJUUUORDSA-N -1 3 364.276 2.223 20 5 FEBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000597491622 673482098 /nfs/dbraw/zinc/48/20/98/673482098.db2.gz PCMCWBGQGFFYQY-ZJUUUORDSA-N -1 3 364.276 2.223 20 5 FEBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000598735706 673604913 /nfs/dbraw/zinc/60/49/13/673604913.db2.gz PUJJXAFAMCYVSC-GFCCVEGCSA-N -1 3 350.400 2.350 20 5 FEBDHM CC1=CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545123823 673745818 /nfs/dbraw/zinc/74/58/18/673745818.db2.gz HEGGKDWWURDTKI-UHFFFAOYSA-N -1 3 359.835 2.179 20 5 FEBDHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868952 675626013 /nfs/dbraw/zinc/62/60/13/675626013.db2.gz YDURNEBEXYEWFJ-JGVFFNPUSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868952 675626014 /nfs/dbraw/zinc/62/60/14/675626014.db2.gz YDURNEBEXYEWFJ-JGVFFNPUSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000763407265 680782211 /nfs/dbraw/zinc/78/22/11/680782211.db2.gz YZMOCWOCKWQTID-SNVBAGLBSA-N -1 3 362.363 2.260 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000751441795 680176128 /nfs/dbraw/zinc/17/61/28/680176128.db2.gz RCXMDIFMMSNMHX-LLVKDONJSA-N -1 3 368.333 2.053 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC000841494603 680887372 /nfs/dbraw/zinc/88/73/72/680887372.db2.gz FQHNLJDKGOVHKB-JTQLQIEISA-N -1 3 368.333 2.053 20 5 FEBDHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000845832081 681155590 /nfs/dbraw/zinc/15/55/90/681155590.db2.gz QGOAERVPZWMAKM-GFCCVEGCSA-N -1 3 351.384 2.044 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1SCCS1 ZINC000851832984 682153331 /nfs/dbraw/zinc/15/33/31/682153331.db2.gz VSYKZMAEXSAXNO-UHFFFAOYSA-N -1 3 354.862 2.333 20 5 FEBDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853854395 682479582 /nfs/dbraw/zinc/47/95/82/682479582.db2.gz RZUSIQARDLVOQF-UHFFFAOYSA-N -1 3 350.375 2.189 20 5 FEBDHM Cc1c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c2ccccc2n1C ZINC000790068287 682654288 /nfs/dbraw/zinc/65/42/88/682654288.db2.gz HHQCXFPEASQFAC-UHFFFAOYSA-N -1 3 361.383 2.095 20 5 FEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224172 683323402 /nfs/dbraw/zinc/32/34/02/683323402.db2.gz HQHRDPQFWYTGIO-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224702 683324249 /nfs/dbraw/zinc/32/42/49/683324249.db2.gz RBUSIOWTLOKGIC-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921859390 683597180 /nfs/dbraw/zinc/59/71/80/683597180.db2.gz FBRHNLLIESAWBZ-CABZTGNLSA-N -1 3 368.333 2.149 20 5 FEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000800147693 674025937 /nfs/dbraw/zinc/02/59/37/674025937.db2.gz XAWDLNDOJNRHBU-UHFFFAOYSA-N -1 3 356.331 2.432 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1Cn1cccn1 ZINC000010958968 539523078 /nfs/dbraw/zinc/52/30/78/539523078.db2.gz ZILIQABLWOFPDE-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000014210721 539598991 /nfs/dbraw/zinc/59/89/91/539598991.db2.gz IHZRITQFEIAUJS-JTQLQIEISA-N -1 3 350.352 2.363 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000029829181 539865458 /nfs/dbraw/zinc/86/54/58/539865458.db2.gz GAJNSBFZSZJYGC-UHFFFAOYSA-N -1 3 363.395 2.239 20 5 FEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000030530434 539884338 /nfs/dbraw/zinc/88/43/38/539884338.db2.gz WTVGUHXLIBOYCK-UHFFFAOYSA-N -1 3 369.786 2.456 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000032414177 539937306 /nfs/dbraw/zinc/93/73/06/539937306.db2.gz CSFRYXOVQBUIIH-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000046036803 540238620 /nfs/dbraw/zinc/23/86/20/540238620.db2.gz BULUYRWQNSTJMT-GXTWGEPZSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000046408991 540255667 /nfs/dbraw/zinc/25/56/67/540255667.db2.gz ZWZZYCUOIFJMTA-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000047910173 540333563 /nfs/dbraw/zinc/33/35/63/540333563.db2.gz KNOGAJWOGIJSAC-JTQLQIEISA-N -1 3 369.424 2.270 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccccn2)[n-]1 ZINC000053525977 540541160 /nfs/dbraw/zinc/54/11/60/540541160.db2.gz WAHDBXKTSXVRHA-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525977 540541161 /nfs/dbraw/zinc/54/11/61/540541161.db2.gz WAHDBXKTSXVRHA-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccccn2)n1 ZINC000053525977 540541163 /nfs/dbraw/zinc/54/11/63/540541163.db2.gz WAHDBXKTSXVRHA-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053868491 540558596 /nfs/dbraw/zinc/55/85/96/540558596.db2.gz ITFKVNTWODKVRL-INIZCTEOSA-N -1 3 369.377 2.221 20 5 FEBDHM CC[C@H]1C[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC(=O)N1 ZINC000543616924 541621702 /nfs/dbraw/zinc/62/17/02/541621702.db2.gz OSLFGIOHHMHAKD-NEPJUHHUSA-N -1 3 357.370 2.228 20 5 FEBDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104367589 543129937 /nfs/dbraw/zinc/12/99/37/543129937.db2.gz YYWLRZZYWQYZGB-UHFFFAOYSA-N -1 3 369.297 2.244 20 5 FEBDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104367589 543129938 /nfs/dbraw/zinc/12/99/38/543129938.db2.gz YYWLRZZYWQYZGB-UHFFFAOYSA-N -1 3 369.297 2.244 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891519 543253144 /nfs/dbraw/zinc/25/31/44/543253144.db2.gz CBBYUTQGTYXSDQ-ZDUSSCGKSA-N -1 3 353.444 2.198 20 5 FEBDHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000107703797 543276495 /nfs/dbraw/zinc/27/64/95/543276495.db2.gz BGKHNLOLPWICEX-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000122857517 543727532 /nfs/dbraw/zinc/72/75/32/543727532.db2.gz ONPAOMLWDLCKMK-UHFFFAOYSA-N -1 3 369.424 2.416 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000125697407 543896946 /nfs/dbraw/zinc/89/69/46/543896946.db2.gz LXPVQLXDNZDQEX-QMTHXVAHSA-N -1 3 370.452 2.235 20 5 FEBDHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131587968 544197307 /nfs/dbraw/zinc/19/73/07/544197307.db2.gz SQQUUPHRBMFLSW-UHFFFAOYSA-N -1 3 358.398 2.419 20 5 FEBDHM O=C(Nc1cncnc1N1CCCC1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000137312269 544388884 /nfs/dbraw/zinc/38/88/84/544388884.db2.gz CWJLULOYWHEBOL-UHFFFAOYSA-N -1 3 353.342 2.114 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000188901243 328116717 /nfs/dbraw/zinc/11/67/17/328116717.db2.gz DOVQKTUWMQSQBV-JQWIXIFHSA-N -1 3 362.835 2.386 20 5 FEBDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189131576 328130415 /nfs/dbraw/zinc/13/04/15/328130415.db2.gz WHEXRGJIUOEINX-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1[N+](=O)[O-] ZINC000191797777 328282590 /nfs/dbraw/zinc/28/25/90/328282590.db2.gz OANWXOHVHVLLIO-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM CCc1ccc([C@@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015414 325351499 /nfs/dbraw/zinc/35/14/99/325351499.db2.gz JKKOOPYJDYKZOR-GFCCVEGCSA-N -1 3 367.427 2.379 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(C3CC3)C2)c1C ZINC000121455060 326339894 /nfs/dbraw/zinc/33/98/94/326339894.db2.gz BRTLVZGQNFSXRG-DGCLKSJQSA-N -1 3 353.444 2.115 20 5 FEBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000122683746 326405486 /nfs/dbraw/zinc/40/54/86/326405486.db2.gz WDKAWPDGKIGZJR-UHFFFAOYSA-N -1 3 356.425 2.494 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000127773205 326512359 /nfs/dbraw/zinc/51/23/59/326512359.db2.gz NZMXYZPMMKOGID-BXUZGUMPSA-N -1 3 360.407 2.344 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCCCNC(=O)c1cccc([O-])c1 ZINC000130256836 326553825 /nfs/dbraw/zinc/55/38/25/326553825.db2.gz VUMQUNXHPGRUBK-UHFFFAOYSA-N -1 3 371.393 2.169 20 5 FEBDHM CC1CCN(Cc2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)CC1 ZINC000159496131 326933442 /nfs/dbraw/zinc/93/34/42/326933442.db2.gz RLSZKIONWJPNFK-UHFFFAOYSA-N -1 3 350.404 2.259 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000248480024 328722053 /nfs/dbraw/zinc/72/20/53/328722053.db2.gz QYNKLPYZHBPLPA-ZLKJLUDKSA-N -1 3 358.391 2.134 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262314843 328858541 /nfs/dbraw/zinc/85/85/41/328858541.db2.gz POUDRBUJTGWUBT-OAHLLOKOSA-N -1 3 361.423 2.069 20 5 FEBDHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000268162688 329392307 /nfs/dbraw/zinc/39/23/07/329392307.db2.gz HLIPPZYSKNUYJX-UHFFFAOYSA-N -1 3 370.456 2.363 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000270625133 329616462 /nfs/dbraw/zinc/61/64/62/329616462.db2.gz KWWJGGNEMYENIU-XHDPSFHLSA-N -1 3 372.443 2.475 20 5 FEBDHM O=C(CNC(=O)c1cccc([O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274608922 329964502 /nfs/dbraw/zinc/96/45/02/329964502.db2.gz 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ZWDDOWIQICZMHH-STQMWFEESA-N -1 3 354.428 2.448 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000416597932 559324143 /nfs/dbraw/zinc/32/41/43/559324143.db2.gz GLONUOILTWQDCB-MRVPVSSYSA-N -1 3 356.322 2.470 20 5 FEBDHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427812662 559763284 /nfs/dbraw/zinc/76/32/84/559763284.db2.gz RSHMBTMYIJPLSP-UHFFFAOYSA-N -1 3 367.365 2.110 20 5 FEBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ncncc1Cl ZINC000428508549 559776916 /nfs/dbraw/zinc/77/69/16/559776916.db2.gz JBZAMUCXDPYOCD-UHFFFAOYSA-N -1 3 350.718 2.452 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c(Br)c1 ZINC000430030718 559811457 /nfs/dbraw/zinc/81/14/57/559811457.db2.gz JAAOMRUIPGXKNG-GXSJLCMTSA-N -1 3 361.217 2.434 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000432660354 559862589 /nfs/dbraw/zinc/86/25/89/559862589.db2.gz SWKIZQVNENEONF-UHFFFAOYSA-N -1 3 370.774 2.489 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000433369789 559878900 /nfs/dbraw/zinc/87/89/00/559878900.db2.gz ZSWJXMKAFSUWKP-UHFFFAOYSA-N -1 3 354.428 2.124 20 5 FEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OCC ZINC000433443443 559881575 /nfs/dbraw/zinc/88/15/75/559881575.db2.gz MHWMCBFLWUCDBV-LBPRGKRZSA-N -1 3 358.416 2.161 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)c1C ZINC000435219247 559918031 /nfs/dbraw/zinc/91/80/31/559918031.db2.gz CZSLNCVQHLJKLG-NSHDSACASA-N -1 3 358.416 2.220 20 5 FEBDHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436639142 559947329 /nfs/dbraw/zinc/94/73/29/559947329.db2.gz NNAVXVWWWXPSEX-UHFFFAOYSA-N -1 3 356.338 2.472 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000440364403 560009559 /nfs/dbraw/zinc/00/95/59/560009559.db2.gz DWSONNADFUMSTH-MRVPVSSYSA-N -1 3 350.356 2.224 20 5 FEBDHM O=C(NCCN1CCC2(CCCCC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000442962733 560064277 /nfs/dbraw/zinc/06/42/77/560064277.db2.gz DPUHAWHFCLNSLF-UHFFFAOYSA-N -1 3 362.430 2.472 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)cc1C ZINC000443279877 560077622 /nfs/dbraw/zinc/07/76/22/560077622.db2.gz GYYAOQYKQKTRLX-AWEZNQCLSA-N -1 3 368.386 2.363 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000443754644 560091757 /nfs/dbraw/zinc/09/17/57/560091757.db2.gz KEEUCDYSQHDIIV-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM COC(=O)Cc1ccc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1 ZINC000450449817 560262721 /nfs/dbraw/zinc/26/27/21/560262721.db2.gz BNGBXOCJJHCPGS-UHFFFAOYSA-N -1 3 359.264 2.059 20 5 FEBDHM COC(=O)Cc1ccc(NCc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000450449817 560262722 /nfs/dbraw/zinc/26/27/22/560262722.db2.gz BNGBXOCJJHCPGS-UHFFFAOYSA-N -1 3 359.264 2.059 20 5 FEBDHM COC(=O)Cc1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000450449817 560262723 /nfs/dbraw/zinc/26/27/23/560262723.db2.gz BNGBXOCJJHCPGS-UHFFFAOYSA-N -1 3 359.264 2.059 20 5 FEBDHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000451744738 560326068 /nfs/dbraw/zinc/32/60/68/560326068.db2.gz GCUCKYBKLPPSQO-NWDGAFQWSA-N -1 3 370.427 2.486 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000451822322 560330774 /nfs/dbraw/zinc/33/07/74/560330774.db2.gz JYVHDJLFLNBOMA-DOMZBBRYSA-N -1 3 372.443 2.333 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000451823617 560330807 /nfs/dbraw/zinc/33/08/07/560330807.db2.gz NWTHQNQDUVLTER-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000451862805 560333218 /nfs/dbraw/zinc/33/32/18/560333218.db2.gz VQUNQVRPGFHEJZ-HUUCEWRRSA-N -1 3 368.455 2.287 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccccc1C ZINC000469028227 560945191 /nfs/dbraw/zinc/94/51/91/560945191.db2.gz SDXADPBUNIUBFK-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616744 560985921 /nfs/dbraw/zinc/98/59/21/560985921.db2.gz DYXGSTZQQZLVDD-JHJVBQTASA-N -1 3 373.450 2.379 20 5 FEBDHM CCC[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000476055502 561110431 /nfs/dbraw/zinc/11/04/31/561110431.db2.gz WMHBAWJVWWRDSO-INIZCTEOSA-N -1 3 371.459 2.206 20 5 FEBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)n1 ZINC000476090523 561111187 /nfs/dbraw/zinc/11/11/87/561111187.db2.gz NXFPMUUAZVIQHW-UHFFFAOYSA-N -1 3 368.353 2.306 20 5 FEBDHM CS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000531134684 562435752 /nfs/dbraw/zinc/43/57/52/562435752.db2.gz RSHHAGIIMYSTIA-UHFFFAOYSA-N -1 3 354.315 2.095 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1COc2ccc(C)cc21 ZINC000532167046 562469495 /nfs/dbraw/zinc/46/94/95/562469495.db2.gz BMHBHQLXLQCNBZ-ZDUSSCGKSA-N -1 3 364.379 2.324 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1O ZINC000533552444 562512834 /nfs/dbraw/zinc/51/28/34/562512834.db2.gz VPLWHVLHRKUBLR-UHFFFAOYSA-N -1 3 366.395 2.404 20 5 FEBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc([O-])c1F ZINC000534944643 562545845 /nfs/dbraw/zinc/54/58/45/562545845.db2.gz KEWZUSDTGPWXNK-SECBINFHSA-N -1 3 351.338 2.311 20 5 FEBDHM CN(Cc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736830939 598933827 /nfs/dbraw/zinc/93/38/27/598933827.db2.gz FUTOPHJJKKUWSU-UHFFFAOYSA-N -1 3 364.369 2.298 20 5 FEBDHM CN(Cc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736830939 598933829 /nfs/dbraw/zinc/93/38/29/598933829.db2.gz FUTOPHJJKKUWSU-UHFFFAOYSA-N -1 3 364.369 2.298 20 5 FEBDHM O=C(CC1CCCCC1)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737824547 598245668 /nfs/dbraw/zinc/24/56/68/598245668.db2.gz XUGHCWBHWUDVLR-UHFFFAOYSA-N -1 3 373.417 2.273 20 5 FEBDHM O=C(CC1CCCCC1)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737824547 598245669 /nfs/dbraw/zinc/24/56/69/598245669.db2.gz XUGHCWBHWUDVLR-UHFFFAOYSA-N -1 3 373.417 2.273 20 5 FEBDHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000737201356 598310727 /nfs/dbraw/zinc/31/07/27/598310727.db2.gz CWKHLRYUZRVNKD-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000737201356 598310728 /nfs/dbraw/zinc/31/07/28/598310728.db2.gz CWKHLRYUZRVNKD-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM CC(C)c1[nH]nc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000820183661 607353624 /nfs/dbraw/zinc/35/36/24/607353624.db2.gz IGMDJMUENILFSJ-UHFFFAOYSA-N -1 3 360.309 2.013 20 5 FEBDHM CC(C)c1[nH]nc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000820183661 607353625 /nfs/dbraw/zinc/35/36/25/607353625.db2.gz IGMDJMUENILFSJ-UHFFFAOYSA-N -1 3 360.309 2.013 20 5 FEBDHM COCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737010435 598499628 /nfs/dbraw/zinc/49/96/28/598499628.db2.gz BTKKHNPUYIBVAU-UHFFFAOYSA-N -1 3 371.357 2.077 20 5 FEBDHM COCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737010435 598499629 /nfs/dbraw/zinc/49/96/29/598499629.db2.gz BTKKHNPUYIBVAU-UHFFFAOYSA-N -1 3 371.357 2.077 20 5 FEBDHM COc1ccc(OCCSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737111411 598500600 /nfs/dbraw/zinc/50/06/00/598500600.db2.gz MFWDCSYVQMYMTG-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738223957 598584169 /nfs/dbraw/zinc/58/41/69/598584169.db2.gz YVMYKTACBCLIAM-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738223957 598584170 /nfs/dbraw/zinc/58/41/70/598584170.db2.gz YVMYKTACBCLIAM-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000737242621 598592363 /nfs/dbraw/zinc/59/23/63/598592363.db2.gz XQYIXBFGIUOHOY-UHFFFAOYSA-N -1 3 355.358 2.278 20 5 FEBDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000737242621 598592364 /nfs/dbraw/zinc/59/23/64/598592364.db2.gz XQYIXBFGIUOHOY-UHFFFAOYSA-N -1 3 355.358 2.278 20 5 FEBDHM COc1cccc2c1OC[C@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000737143154 598612775 /nfs/dbraw/zinc/61/27/75/598612775.db2.gz PRARLTFHGHOULV-GFCCVEGCSA-N -1 3 368.353 2.199 20 5 FEBDHM COc1cccc2c1OC[C@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000737143154 598612777 /nfs/dbraw/zinc/61/27/77/598612777.db2.gz PRARLTFHGHOULV-GFCCVEGCSA-N -1 3 368.353 2.199 20 5 FEBDHM Cn1c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000737592462 599350095 /nfs/dbraw/zinc/35/00/95/599350095.db2.gz OVYWMAQZMRSRHS-UHFFFAOYSA-N -1 3 368.332 2.413 20 5 FEBDHM Cn1c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000737592462 599350097 /nfs/dbraw/zinc/35/00/97/599350097.db2.gz OVYWMAQZMRSRHS-UHFFFAOYSA-N -1 3 368.332 2.413 20 5 FEBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397869 599529649 /nfs/dbraw/zinc/52/96/49/599529649.db2.gz VQDIHYVAIWFRJV-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397869 599529650 /nfs/dbraw/zinc/52/96/50/599529650.db2.gz VQDIHYVAIWFRJV-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM CC[C@@H](C)[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859497 599552334 /nfs/dbraw/zinc/55/23/34/599552334.db2.gz FIBNHRCOTZGAJU-YMTOWFKASA-N -1 3 357.374 2.142 20 5 FEBDHM CC[C@@H](C)[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859497 599552336 /nfs/dbraw/zinc/55/23/36/599552336.db2.gz FIBNHRCOTZGAJU-YMTOWFKASA-N -1 3 357.374 2.142 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000826254767 607410114 /nfs/dbraw/zinc/41/01/14/607410114.db2.gz ZWESDXPJSGIZBY-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000826254767 607410116 /nfs/dbraw/zinc/41/01/16/607410116.db2.gz ZWESDXPJSGIZBY-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000826253919 607413118 /nfs/dbraw/zinc/41/31/18/607413118.db2.gz LAMZXAAMDCDRQS-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000826253919 607413119 /nfs/dbraw/zinc/41/31/19/607413119.db2.gz LAMZXAAMDCDRQS-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM O=C(COc1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826418656 607523531 /nfs/dbraw/zinc/52/35/31/607523531.db2.gz QESWVERYQHZACF-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826418656 607523532 /nfs/dbraw/zinc/52/35/32/607523532.db2.gz QESWVERYQHZACF-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM CC(=O)c1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000824029052 607538620 /nfs/dbraw/zinc/53/86/20/607538620.db2.gz BBWXMBATTFOKCR-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM CC(=O)c1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000824029052 607538622 /nfs/dbraw/zinc/53/86/22/607538622.db2.gz BBWXMBATTFOKCR-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM COc1ccc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205650 607603941 /nfs/dbraw/zinc/60/39/41/607603941.db2.gz FMKHEQYFQCIDET-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205650 607603942 /nfs/dbraw/zinc/60/39/42/607603942.db2.gz FMKHEQYFQCIDET-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CN(C(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000833684560 604932979 /nfs/dbraw/zinc/93/29/79/604932979.db2.gz JCVCSIZJOFQFCE-CYBMUJFWSA-N -1 3 363.414 2.380 20 5 FEBDHM Cn1cc(CN2CC[C@H](CNC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833948576 605570124 /nfs/dbraw/zinc/57/01/24/605570124.db2.gz HZRVVENNNFTDKV-GFCCVEGCSA-N -1 3 359.386 2.085 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822212853 606137440 /nfs/dbraw/zinc/13/74/40/606137440.db2.gz KDAJLCUTCHRFDH-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822212853 606137441 /nfs/dbraw/zinc/13/74/41/606137441.db2.gz KDAJLCUTCHRFDH-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM CCn1ncc2c1CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821568392 606241357 /nfs/dbraw/zinc/24/13/57/606241357.db2.gz SCDCMUTWQLJYNK-GFCCVEGCSA-N -1 3 354.374 2.481 20 5 FEBDHM CCn1ncc2c1CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821568392 606241359 /nfs/dbraw/zinc/24/13/59/606241359.db2.gz SCDCMUTWQLJYNK-GFCCVEGCSA-N -1 3 354.374 2.481 20 5 FEBDHM C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481263 606340704 /nfs/dbraw/zinc/34/07/04/606340704.db2.gz UILFTYQZKHOMJW-SNVBAGLBSA-N -1 3 371.357 2.011 20 5 FEBDHM C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481263 606340706 /nfs/dbraw/zinc/34/07/06/606340706.db2.gz UILFTYQZKHOMJW-SNVBAGLBSA-N -1 3 371.357 2.011 20 5 FEBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](CC)CN1C(C)=O ZINC000820995016 606420945 /nfs/dbraw/zinc/42/09/45/606420945.db2.gz MNPUOWHYCJDGHA-CHWSQXEVSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](CC)CN1C(C)=O ZINC000820995016 606420947 /nfs/dbraw/zinc/42/09/47/606420947.db2.gz MNPUOWHYCJDGHA-CHWSQXEVSA-N -1 3 373.417 2.001 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCN(Cc3cccs3)CC2)ccc1-c1nnn[n-]1 ZINC000823634473 606645168 /nfs/dbraw/zinc/64/51/68/606645168.db2.gz GTRXYRBNHWZMGG-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCN(Cc3cccs3)CC2)ccc1-c1nn[n-]n1 ZINC000823634473 606645169 /nfs/dbraw/zinc/64/51/69/606645169.db2.gz GTRXYRBNHWZMGG-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822270857 606660705 /nfs/dbraw/zinc/66/07/05/606660705.db2.gz AOFJCMVBXAMJMM-UHFFFAOYSA-N -1 3 368.353 2.409 20 5 FEBDHM CCc1n[nH]c(=O)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1CC ZINC000821504498 606831425 /nfs/dbraw/zinc/83/14/25/606831425.db2.gz GGCQUTYADGXSBA-UHFFFAOYSA-N -1 3 370.373 2.007 20 5 FEBDHM CCc1n[nH]c(=O)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1CC ZINC000821504498 606831427 /nfs/dbraw/zinc/83/14/27/606831427.db2.gz GGCQUTYADGXSBA-UHFFFAOYSA-N -1 3 370.373 2.007 20 5 FEBDHM O=C(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OCc1ccccc1 ZINC000822968939 607031713 /nfs/dbraw/zinc/03/17/13/607031713.db2.gz FDYAAKWNYVUKRH-UHFFFAOYSA-N -1 3 368.353 2.320 20 5 FEBDHM O=C(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OCc1ccccc1 ZINC000822968939 607031714 /nfs/dbraw/zinc/03/17/14/607031714.db2.gz FDYAAKWNYVUKRH-UHFFFAOYSA-N -1 3 368.353 2.320 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[C@H]2COc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000823639733 607039000 /nfs/dbraw/zinc/03/90/00/607039000.db2.gz GLNCDYMTGQEVCL-LBPRGKRZSA-N -1 3 368.353 2.417 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[C@H]2COc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000823639733 607039001 /nfs/dbraw/zinc/03/90/01/607039001.db2.gz GLNCDYMTGQEVCL-LBPRGKRZSA-N -1 3 368.353 2.417 20 5 FEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000821122985 607040858 /nfs/dbraw/zinc/04/08/58/607040858.db2.gz FUGQJBOOSQVGGN-UHFFFAOYSA-N -1 3 370.373 2.188 20 5 FEBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000820728058 607047670 /nfs/dbraw/zinc/04/76/70/607047670.db2.gz RVNYJGDZVMNKPY-XHDPSFHLSA-N -1 3 354.374 2.059 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821846476 607247730 /nfs/dbraw/zinc/24/77/30/607247730.db2.gz SHLDZORSNLGKHO-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821846476 607247731 /nfs/dbraw/zinc/24/77/31/607247731.db2.gz SHLDZORSNLGKHO-UHFFFAOYSA-N -1 3 359.273 2.142 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826211502 607789267 /nfs/dbraw/zinc/78/92/67/607789267.db2.gz HRMUBXKNWWIMSX-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826211502 607789268 /nfs/dbraw/zinc/78/92/68/607789268.db2.gz HRMUBXKNWWIMSX-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM CCc1nn(C)c(CC)c1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825759268 607850294 /nfs/dbraw/zinc/85/02/94/607850294.db2.gz AWTKXSQOHNKLBO-UHFFFAOYSA-N -1 3 356.390 2.245 20 5 FEBDHM CCc1nn(C)c(CC)c1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825759268 607850295 /nfs/dbraw/zinc/85/02/95/607850295.db2.gz AWTKXSQOHNKLBO-UHFFFAOYSA-N -1 3 356.390 2.245 20 5 FEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824679281 607967886 /nfs/dbraw/zinc/96/78/86/607967886.db2.gz RVBKHPHHOSCBGD-INIZCTEOSA-N -1 3 358.333 2.234 20 5 FEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824679281 607967887 /nfs/dbraw/zinc/96/78/87/607967887.db2.gz RVBKHPHHOSCBGD-INIZCTEOSA-N -1 3 358.333 2.234 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000826498856 608052849 /nfs/dbraw/zinc/05/28/49/608052849.db2.gz MLHGFEVDLCUIBZ-GFCCVEGCSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826498856 608052850 /nfs/dbraw/zinc/05/28/50/608052850.db2.gz MLHGFEVDLCUIBZ-GFCCVEGCSA-N -1 3 358.383 2.414 20 5 FEBDHM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480342 608433616 /nfs/dbraw/zinc/43/36/16/608433616.db2.gz VWUCKLQPERZTCQ-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480342 608433617 /nfs/dbraw/zinc/43/36/17/608433617.db2.gz VWUCKLQPERZTCQ-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826466229 608448554 /nfs/dbraw/zinc/44/85/54/608448554.db2.gz UJPRSNHYUINDGV-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826466229 608448555 /nfs/dbraw/zinc/44/85/55/608448555.db2.gz UJPRSNHYUINDGV-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000826459960 608572664 /nfs/dbraw/zinc/57/26/64/608572664.db2.gz HMWGZZKEFSSDHX-UHFFFAOYSA-N -1 3 365.353 2.301 20 5 FEBDHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000826459960 608572665 /nfs/dbraw/zinc/57/26/65/608572665.db2.gz HMWGZZKEFSSDHX-UHFFFAOYSA-N -1 3 365.353 2.301 20 5 FEBDHM Cc1cc(COC(=O)COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826267672 609284577 /nfs/dbraw/zinc/28/45/77/609284577.db2.gz PWVFDRKEUWONMO-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM Cc1cc(COC(=O)COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826267672 609284579 /nfs/dbraw/zinc/28/45/79/609284579.db2.gz PWVFDRKEUWONMO-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113301001 670883400 /nfs/dbraw/zinc/88/34/00/670883400.db2.gz XTXHQXMAXUMPIO-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC000611019546 676011486 /nfs/dbraw/zinc/01/14/86/676011486.db2.gz KJJGXVKHYZRXNC-HNNXBMFYSA-N -1 3 372.349 2.026 20 5 FEBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592085236 672751626 /nfs/dbraw/zinc/75/16/26/672751626.db2.gz XSRLAZGMEVXBLA-ONGXEEELSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)nc1 ZINC000593532170 672935396 /nfs/dbraw/zinc/93/53/96/672935396.db2.gz XYGQROZMDDPZFJ-UHFFFAOYSA-N -1 3 369.374 2.266 20 5 FEBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)s1 ZINC000593553449 672941245 /nfs/dbraw/zinc/94/12/45/672941245.db2.gz RRNMQICZHRTQKT-LBPRGKRZSA-N -1 3 354.413 2.184 20 5 FEBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000593553787 672941278 /nfs/dbraw/zinc/94/12/78/672941278.db2.gz PMOIJMFTEGTDQJ-OLZOCXBDSA-N -1 3 355.416 2.006 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1C ZINC000593557363 672942061 /nfs/dbraw/zinc/94/20/61/672942061.db2.gz CPMDGSIPRJJUMT-AWEZNQCLSA-N -1 3 365.411 2.434 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1Oc2ccccc2[C@H]1C ZINC000593560915 672943510 /nfs/dbraw/zinc/94/35/10/672943510.db2.gz VZDWRYSUBZYYFM-GDLVEWKHSA-N -1 3 363.395 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000593572639 672947415 /nfs/dbraw/zinc/94/74/15/672947415.db2.gz OFXXUCOUDYYTRF-CJNGLKHVSA-N -1 3 363.395 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)nc1 ZINC000593584830 672951332 /nfs/dbraw/zinc/95/13/32/672951332.db2.gz DALYWMAGQVNAGS-CQSZACIVSA-N -1 3 351.359 2.485 20 5 FEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000594793803 673145430 /nfs/dbraw/zinc/14/54/30/673145430.db2.gz DEOIKUPVSXBPGD-QMMMGPOBSA-N -1 3 368.333 2.459 20 5 FEBDHM O=C(COC(=O)c1cncc([O-])c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732392469 673366293 /nfs/dbraw/zinc/36/62/93/673366293.db2.gz WNYVWPGESZXHNH-UHFFFAOYSA-N -1 3 351.702 2.144 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCn1ccnc1 ZINC000539381946 673487128 /nfs/dbraw/zinc/48/71/28/673487128.db2.gz FHQOXRMMHQIZCM-UHFFFAOYSA-N -1 3 358.807 2.203 20 5 FEBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000598736464 673605184 /nfs/dbraw/zinc/60/51/84/673605184.db2.gz WZWUPJXWAGKPGY-GFCCVEGCSA-N -1 3 350.400 2.350 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)nc1 ZINC000599466879 673679374 /nfs/dbraw/zinc/67/93/74/673679374.db2.gz DGAVBQMKOBRCKN-NILFDRSVSA-N -1 3 365.798 2.260 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601374179 673850918 /nfs/dbraw/zinc/85/09/18/673850918.db2.gz BVBGXKSICZOXOC-LLVKDONJSA-N -1 3 358.391 2.422 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[n-]1 ZINC000617876281 676310048 /nfs/dbraw/zinc/31/00/48/676310048.db2.gz HGHFVAISXBVWKG-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c[n-]1 ZINC000617876281 676310052 /nfs/dbraw/zinc/31/00/52/676310052.db2.gz HGHFVAISXBVWKG-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccco1 ZINC000619495772 676381357 /nfs/dbraw/zinc/38/13/57/676381357.db2.gz XTAALJSPVWUTKP-LLVKDONJSA-N -1 3 370.383 2.253 20 5 FEBDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841523891 680891428 /nfs/dbraw/zinc/89/14/28/680891428.db2.gz IIRLIQPRKGMASP-QMMMGPOBSA-N -1 3 368.242 2.132 20 5 FEBDHM CC(C)COc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000759168831 680632619 /nfs/dbraw/zinc/63/26/19/680632619.db2.gz SXEVMXOQYUQRRI-UHFFFAOYSA-N -1 3 366.399 2.330 20 5 FEBDHM CC(C)C(=O)c1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000759170032 680632687 /nfs/dbraw/zinc/63/26/87/680632687.db2.gz XBSGJCNFHJAWJM-UHFFFAOYSA-N -1 3 364.383 2.134 20 5 FEBDHM CC1(C)Cc2cc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])ccc2O1 ZINC000759169578 680632788 /nfs/dbraw/zinc/63/27/88/680632788.db2.gz PDOSKUMHVZQWRF-UHFFFAOYSA-N -1 3 364.383 2.009 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000766205827 680870311 /nfs/dbraw/zinc/87/03/11/680870311.db2.gz ACRAZKRPEMRLEY-LBPRGKRZSA-N -1 3 357.407 2.029 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCCCCO ZINC000841508531 680888817 /nfs/dbraw/zinc/88/88/17/680888817.db2.gz DPOYCQSOUIQTOQ-UHFFFAOYSA-N -1 3 370.349 2.445 20 5 FEBDHM CCn1ccc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000841554787 680896903 /nfs/dbraw/zinc/89/69/03/680896903.db2.gz SSQSUYAZIFDQKK-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM CC(C)n1ncnc1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592240 681586156 /nfs/dbraw/zinc/58/61/56/681586156.db2.gz SQRGSJKPPRKWSV-UHFFFAOYSA-N -1 3 355.301 2.055 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000780005412 681781094 /nfs/dbraw/zinc/78/10/94/681781094.db2.gz CZKPRELHJAZYRX-UHFFFAOYSA-N -1 3 370.119 2.251 20 5 FEBDHM 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COC(=O)CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000042219079 540055752 /nfs/dbraw/zinc/05/57/52/540055752.db2.gz FKGOKKOROCRRRB-UHFFFAOYSA-N -1 3 364.807 2.260 20 5 FEBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000044259857 540121766 /nfs/dbraw/zinc/12/17/66/540121766.db2.gz JHXQUNBSEDBBCN-UHFFFAOYSA-N -1 3 353.331 2.493 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000046851168 540273499 /nfs/dbraw/zinc/27/34/99/540273499.db2.gz QKSMCXVKUCQBST-UHFFFAOYSA-N -1 3 358.354 2.160 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000056068694 540699297 /nfs/dbraw/zinc/69/92/97/540699297.db2.gz SBVGJSLARIKSPS-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000056074150 540699966 /nfs/dbraw/zinc/69/99/66/540699966.db2.gz VFMFIMZTINPXFY-UHFFFAOYSA-N -1 3 351.384 2.256 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060506382 541115848 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ZINC000188382649 328083791 /nfs/dbraw/zinc/08/37/91/328083791.db2.gz CPYBYLKEZKYFSY-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000190313600 328199785 /nfs/dbraw/zinc/19/97/85/328199785.db2.gz QTYZHRLMTXIHPX-UHFFFAOYSA-N -1 3 374.469 2.060 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)n1 ZINC000191637002 328275056 /nfs/dbraw/zinc/27/50/56/328275056.db2.gz VDJAXMHWODZOMA-UHFFFAOYSA-N -1 3 372.790 2.120 20 5 FEBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193662437 328388329 /nfs/dbraw/zinc/38/83/29/328388329.db2.gz OCIHYASWQQLGPA-MRXNPFEDSA-N -1 3 370.409 2.432 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000116377482 326010662 /nfs/dbraw/zinc/01/06/62/326010662.db2.gz KZTRWZRHHGBYCL-UHFFFAOYSA-N -1 3 357.413 2.274 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000246031839 328584869 /nfs/dbraw/zinc/58/48/69/328584869.db2.gz NSUQUCDSPJVAEI-IAOVAPTHSA-N -1 3 360.391 2.220 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000131158213 326569467 /nfs/dbraw/zinc/56/94/67/326569467.db2.gz PERMNVIHHPDVBJ-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000152365633 326705500 /nfs/dbraw/zinc/70/55/00/326705500.db2.gz AHOQQLHZZORYOT-NSHDSACASA-N -1 3 368.333 2.317 20 5 FEBDHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000163831805 327059614 /nfs/dbraw/zinc/05/96/14/327059614.db2.gz KBKAXEFBQNHGAF-SWLSCSKDSA-N -1 3 350.396 2.385 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000164140493 327065099 /nfs/dbraw/zinc/06/50/99/327065099.db2.gz GNFWNIVKVTZSFW-CYBMUJFWSA-N -1 3 354.384 2.037 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000247059985 328665659 /nfs/dbraw/zinc/66/56/59/328665659.db2.gz SKACKQJLKXIGGG-OASPWFOLSA-N -1 3 360.819 2.340 20 5 FEBDHM 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-1 3 368.333 2.053 20 5 FEBDHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493852 559317480 /nfs/dbraw/zinc/31/74/80/559317480.db2.gz GRXFKIJBXOHBFO-ONGXEEELSA-N -1 3 370.349 2.441 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1)OCCO2 ZINC000416510208 559318883 /nfs/dbraw/zinc/31/88/83/559318883.db2.gz HRLMYIXGPHKTOL-MRXNPFEDSA-N -1 3 368.411 2.223 20 5 FEBDHM COc1cc(CNc2ccc3c(c2)S(=O)(=O)CC3)c([N+](=O)[O-])cc1[O-] ZINC000419762619 559458905 /nfs/dbraw/zinc/45/89/05/559458905.db2.gz DPEFRGNPSIFKEL-UHFFFAOYSA-N -1 3 364.379 2.251 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000420757742 559502723 /nfs/dbraw/zinc/50/27/23/559502723.db2.gz FRPRAJWITRZECL-UHFFFAOYSA-N -1 3 373.460 2.351 20 5 FEBDHM C[C@@]1(C[C@H]2CCCN2c2ccnc3c2cccc3[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000432166448 559853252 /nfs/dbraw/zinc/85/32/52/559853252.db2.gz XUXSTGOSJHSSGL-ZMZPIMSZSA-N -1 3 369.381 2.100 20 5 FEBDHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C2CC2)no1 ZINC000432263361 559855009 /nfs/dbraw/zinc/85/50/09/559855009.db2.gz GTYARCOYRMGOIS-OAHLLOKOSA-N -1 3 366.399 2.198 20 5 FEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000433441777 559881306 /nfs/dbraw/zinc/88/13/06/559881306.db2.gz FBPDOQYTABJVKD-ZDUSSCGKSA-N -1 3 372.443 2.469 20 5 FEBDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000436475471 559942342 /nfs/dbraw/zinc/94/23/42/559942342.db2.gz BNGHHSXJTQTTHD-UHFFFAOYSA-N -1 3 356.400 2.439 20 5 FEBDHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000436528391 559944343 /nfs/dbraw/zinc/94/43/43/559944343.db2.gz OANAYRKPVXGSOI-UHFFFAOYSA-N -1 3 369.377 2.335 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000436824397 559953211 /nfs/dbraw/zinc/95/32/11/559953211.db2.gz ZMNZILWZPIKIJR-UHFFFAOYSA-N -1 3 367.365 2.139 20 5 FEBDHM CCOC(=O)c1cc(NCCNC(=O)c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000436995449 559958992 /nfs/dbraw/zinc/95/89/92/559958992.db2.gz IEDMMOWJEPVZKW-UHFFFAOYSA-N -1 3 373.365 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)cc1C ZINC000439194033 559989824 /nfs/dbraw/zinc/98/98/24/559989824.db2.gz UISJZDDWZLZQEQ-INIZCTEOSA-N -1 3 372.443 2.423 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c(F)c1 ZINC000443202862 560074489 /nfs/dbraw/zinc/07/44/89/560074489.db2.gz LHFIJJLEWRXZEW-CYBMUJFWSA-N -1 3 352.343 2.405 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000443494512 560085557 /nfs/dbraw/zinc/08/55/57/560085557.db2.gz WFQXZCXSYPZCBC-TZMCWYRMSA-N -1 3 372.443 2.213 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447941471 560174187 /nfs/dbraw/zinc/17/41/87/560174187.db2.gz FMCNPQKOOHVCIG-HNNXBMFYSA-N -1 3 371.459 2.002 20 5 FEBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451928306 560338047 /nfs/dbraw/zinc/33/80/47/560338047.db2.gz DLNLKOQXMOOLEC-LBPRGKRZSA-N -1 3 352.416 2.468 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cnc(C)cc1C ZINC000452039653 560347147 /nfs/dbraw/zinc/34/71/47/560347147.db2.gz DBNCTMRNZUWEOR-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000452043675 560347396 /nfs/dbraw/zinc/34/73/96/560347396.db2.gz FGXDORCRCVTNQW-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000466725678 560893770 /nfs/dbraw/zinc/89/37/70/560893770.db2.gz XPFNLUKVFNTJNJ-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467081199 560903154 /nfs/dbraw/zinc/90/31/54/560903154.db2.gz LKUTWFYSFRKQQX-UHFFFAOYSA-N -1 3 370.408 2.135 20 5 FEBDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469163285 560948843 /nfs/dbraw/zinc/94/88/43/560948843.db2.gz VJAIWOXXJOSORG-GWCFXTLKSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000469185808 560949257 /nfs/dbraw/zinc/94/92/57/560949257.db2.gz MEQSJAUBVUBDAG-GWCFXTLKSA-N -1 3 356.400 2.238 20 5 FEBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc(-n2cccn2)c1 ZINC000473863780 561059597 /nfs/dbraw/zinc/05/95/97/561059597.db2.gz KPAQOWCJYJDKKU-UHFFFAOYSA-N -1 3 355.310 2.142 20 5 FEBDHM COC(=O)COc1ccc(CNCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000474360910 561072219 /nfs/dbraw/zinc/07/22/19/561072219.db2.gz YYAZJYFBVRDVOO-UHFFFAOYSA-N -1 3 364.329 2.281 20 5 FEBDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000474775142 561082628 /nfs/dbraw/zinc/08/26/28/561082628.db2.gz MEXGGQSJLOTVNS-UHFFFAOYSA-N -1 3 361.310 2.057 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000531938896 562462303 /nfs/dbraw/zinc/46/23/03/562462303.db2.gz SWKUZOXUSWHZPT-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000532775387 562488356 /nfs/dbraw/zinc/48/83/56/562488356.db2.gz YPJUOLSPIZYQAW-CQSZACIVSA-N -1 3 350.396 2.224 20 5 FEBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534000442 562523365 /nfs/dbraw/zinc/52/33/65/562523365.db2.gz DVAGLXPYPOYLEU-UHFFFAOYSA-N -1 3 371.353 2.466 20 5 FEBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534000442 562523366 /nfs/dbraw/zinc/52/33/66/562523366.db2.gz DVAGLXPYPOYLEU-UHFFFAOYSA-N -1 3 371.353 2.466 20 5 FEBDHM C[N-]S(=O)(=O)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])s1 ZINC000541932931 562623755 /nfs/dbraw/zinc/62/37/55/562623755.db2.gz GUHOKBJUYWNTKB-UHFFFAOYSA-N -1 3 356.429 2.188 20 5 FEBDHM C[C@@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820288125 599080047 /nfs/dbraw/zinc/08/00/47/599080047.db2.gz SKMAQBHTCAFLQQ-NSHDSACASA-N -1 3 355.358 2.187 20 5 FEBDHM C[C@@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820288125 599080050 /nfs/dbraw/zinc/08/00/50/599080050.db2.gz SKMAQBHTCAFLQQ-NSHDSACASA-N -1 3 355.358 2.187 20 5 FEBDHM COc1ccc(OCCSc2cc(-c3nnn[n-]3)ccn2)c([N+](=O)[O-])c1 ZINC000737111378 599163674 /nfs/dbraw/zinc/16/36/74/599163674.db2.gz LQPZNASWGWKJQM-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM COc1ccc(OCCSc2cc(-c3nn[n-]n3)ccn2)c([N+](=O)[O-])c1 ZINC000737111378 599163677 /nfs/dbraw/zinc/16/36/77/599163677.db2.gz LQPZNASWGWKJQM-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)c1c(F)cccc1F ZINC000738357925 599169921 /nfs/dbraw/zinc/16/99/21/599169921.db2.gz IYRKERQCEWHRJB-LBPRGKRZSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)c1c(F)cccc1F ZINC000738357925 599169923 /nfs/dbraw/zinc/16/99/23/599169923.db2.gz IYRKERQCEWHRJB-LBPRGKRZSA-N -1 3 362.296 2.199 20 5 FEBDHM COCCCN(Cc1ccncc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821687840 607329422 /nfs/dbraw/zinc/32/94/22/607329422.db2.gz RAYJGLCSYASXOB-UHFFFAOYSA-N -1 3 369.385 2.213 20 5 FEBDHM COCCCN(Cc1ccncc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821687840 607329423 /nfs/dbraw/zinc/32/94/23/607329423.db2.gz RAYJGLCSYASXOB-UHFFFAOYSA-N -1 3 369.385 2.213 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000738357089 598389058 /nfs/dbraw/zinc/38/90/58/598389058.db2.gz AXJGTXSOOYYTMR-ZDUSSCGKSA-N -1 3 351.370 2.466 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000738357089 598389060 /nfs/dbraw/zinc/38/90/60/598389060.db2.gz AXJGTXSOOYYTMR-ZDUSSCGKSA-N -1 3 351.370 2.466 20 5 FEBDHM COc1ccc(CC(=O)OCc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737088039 598531571 /nfs/dbraw/zinc/53/15/71/598531571.db2.gz PUTMSBXSNJUFOI-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(CC(=O)OCc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737088039 598531572 /nfs/dbraw/zinc/53/15/72/598531572.db2.gz PUTMSBXSNJUFOI-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM CN1C(=O)CCc2cc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc21 ZINC000736847597 598797212 /nfs/dbraw/zinc/79/72/12/598797212.db2.gz VLFUGGSIJPXPCF-UHFFFAOYSA-N -1 3 365.353 2.428 20 5 FEBDHM CN1C(=O)CCc2cc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc21 ZINC000736847597 598797214 /nfs/dbraw/zinc/79/72/14/598797214.db2.gz VLFUGGSIJPXPCF-UHFFFAOYSA-N -1 3 365.353 2.428 20 5 FEBDHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000557598972 674456798 /nfs/dbraw/zinc/45/67/98/674456798.db2.gz ZKVJPJGWCXHELB-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nnnn1C1CCCC1 ZINC000823634692 599330640 /nfs/dbraw/zinc/33/06/40/599330640.db2.gz KBSQUJXWTYVRMV-UHFFFAOYSA-N -1 3 359.375 2.028 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1nnnn1C1CCCC1 ZINC000823634692 599330643 /nfs/dbraw/zinc/33/06/43/599330643.db2.gz KBSQUJXWTYVRMV-UHFFFAOYSA-N -1 3 359.375 2.028 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272730 607370495 /nfs/dbraw/zinc/37/04/95/607370495.db2.gz YOJVQEHLYMGCBG-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272730 607370497 /nfs/dbraw/zinc/37/04/97/607370497.db2.gz YOJVQEHLYMGCBG-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737261985 599386781 /nfs/dbraw/zinc/38/67/81/599386781.db2.gz BFLBHBWXLGWFKZ-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737261985 599386785 /nfs/dbraw/zinc/38/67/85/599386785.db2.gz BFLBHBWXLGWFKZ-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])cc1OC ZINC000821749730 607378978 /nfs/dbraw/zinc/37/89/78/607378978.db2.gz VTINPSJTWYCSNN-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc([N+](=O)[O-])cc1OC ZINC000821749730 607378979 /nfs/dbraw/zinc/37/89/79/607378979.db2.gz VTINPSJTWYCSNN-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM C[C@@H](O)C[C@@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820473583 599568536 /nfs/dbraw/zinc/56/85/36/599568536.db2.gz HDCDOVUTWGNNHV-NXEZZACHSA-N -1 3 357.374 2.142 20 5 FEBDHM C[C@@H](O)C[C@@H](C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820473583 599568538 /nfs/dbraw/zinc/56/85/38/599568538.db2.gz HDCDOVUTWGNNHV-NXEZZACHSA-N -1 3 357.374 2.142 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826212645 607404219 /nfs/dbraw/zinc/40/42/19/607404219.db2.gz WQCNBODOKPHMAF-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826212645 607404220 /nfs/dbraw/zinc/40/42/20/607404220.db2.gz WQCNBODOKPHMAF-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccn3)CC2)cc1-c1nnn[n-]1 ZINC000826498622 607452577 /nfs/dbraw/zinc/45/25/77/607452577.db2.gz CXFPIWJBHSAUBV-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=C(CC[C@H]1CCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405557 607525408 /nfs/dbraw/zinc/52/54/08/607525408.db2.gz KHRHQEOVXJUVBT-SECBINFHSA-N -1 3 366.765 2.326 20 5 FEBDHM O=C(CC[C@H]1CCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405557 607525410 /nfs/dbraw/zinc/52/54/10/607525410.db2.gz KHRHQEOVXJUVBT-SECBINFHSA-N -1 3 366.765 2.326 20 5 FEBDHM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822291 674513001 /nfs/dbraw/zinc/51/30/01/674513001.db2.gz GUCUDMICIOGIKY-SECBINFHSA-N -1 3 365.814 2.007 20 5 FEBDHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810040 674511201 /nfs/dbraw/zinc/51/12/01/674511201.db2.gz IUTCEPNGVGATMO-QMMMGPOBSA-N -1 3 368.242 2.274 20 5 FEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825954161 607688490 /nfs/dbraw/zinc/68/84/90/607688490.db2.gz XTVUWKNXDVQAGX-UHFFFAOYSA-N -1 3 361.749 2.029 20 5 FEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825954161 607688492 /nfs/dbraw/zinc/68/84/92/607688492.db2.gz XTVUWKNXDVQAGX-UHFFFAOYSA-N -1 3 361.749 2.029 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@]1(O)CCc2ccccc21 ZINC000826497906 607739251 /nfs/dbraw/zinc/73/92/51/607739251.db2.gz YHJGHABENZXYPQ-KRWDZBQOSA-N -1 3 352.354 2.021 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@]1(O)CCc2ccccc21 ZINC000826497906 607739252 /nfs/dbraw/zinc/73/92/52/607739252.db2.gz YHJGHABENZXYPQ-KRWDZBQOSA-N -1 3 352.354 2.021 20 5 FEBDHM CCn1ncc2c1CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821568393 606241429 /nfs/dbraw/zinc/24/14/29/606241429.db2.gz SCDCMUTWQLJYNK-LBPRGKRZSA-N -1 3 354.374 2.481 20 5 FEBDHM CCn1ncc2c1CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821568393 606241430 /nfs/dbraw/zinc/24/14/30/606241430.db2.gz SCDCMUTWQLJYNK-LBPRGKRZSA-N -1 3 354.374 2.481 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822471423 606348557 /nfs/dbraw/zinc/34/85/57/606348557.db2.gz BQOLERAWOBLZFY-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822471423 606348559 /nfs/dbraw/zinc/34/85/59/606348559.db2.gz BQOLERAWOBLZFY-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM CC(C)(O)COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819991697 606431599 /nfs/dbraw/zinc/43/15/99/606431599.db2.gz KRVJZEOQRBMIDV-UHFFFAOYSA-N -1 3 371.357 2.063 20 5 FEBDHM CC(C)(O)COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819991697 606431601 /nfs/dbraw/zinc/43/16/01/606431601.db2.gz KRVJZEOQRBMIDV-UHFFFAOYSA-N -1 3 371.357 2.063 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c(F)ccc(F)c3C2)c(-c2nnn[n-]2)c1 ZINC000823650890 606592952 /nfs/dbraw/zinc/59/29/52/606592952.db2.gz CXKODHMYRKDQNU-UHFFFAOYSA-N -1 3 359.296 2.011 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c(F)ccc(F)c3C2)c(-c2nn[n-]n2)c1 ZINC000823650890 606592954 /nfs/dbraw/zinc/59/29/54/606592954.db2.gz CXKODHMYRKDQNU-UHFFFAOYSA-N -1 3 359.296 2.011 20 5 FEBDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1OC ZINC000821821598 606644414 /nfs/dbraw/zinc/64/44/14/606644414.db2.gz MOCAASJRYFJSAQ-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM O=C(CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000822968829 606646049 /nfs/dbraw/zinc/64/60/49/606646049.db2.gz BBPRZCUAYAHNSD-UHFFFAOYSA-N -1 3 359.390 2.026 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@H]1COc2ccccc2O1 ZINC000823629675 607039358 /nfs/dbraw/zinc/03/93/58/607039358.db2.gz DVJDGGFXXXOWCO-LBPRGKRZSA-N -1 3 368.353 2.417 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@H]1COc2ccccc2O1 ZINC000823629675 607039360 /nfs/dbraw/zinc/03/93/60/607039360.db2.gz DVJDGGFXXXOWCO-LBPRGKRZSA-N -1 3 368.353 2.417 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040453 607189533 /nfs/dbraw/zinc/18/95/33/607189533.db2.gz KOQOPVIDYWQTEM-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040453 607189534 /nfs/dbraw/zinc/18/95/34/607189534.db2.gz KOQOPVIDYWQTEM-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826272273 607863607 /nfs/dbraw/zinc/86/36/07/607863607.db2.gz BJCLGDYZHNSDHC-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826272273 607863608 /nfs/dbraw/zinc/86/36/08/607863608.db2.gz BJCLGDYZHNSDHC-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM CCCCn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)n1 ZINC000825300443 608293821 /nfs/dbraw/zinc/29/38/21/608293821.db2.gz AKAIFDLULMOCLU-UHFFFAOYSA-N -1 3 357.378 2.087 20 5 FEBDHM CCCCn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)n1 ZINC000825300443 608293822 /nfs/dbraw/zinc/29/38/22/608293822.db2.gz AKAIFDLULMOCLU-UHFFFAOYSA-N -1 3 357.378 2.087 20 5 FEBDHM C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480559 608433241 /nfs/dbraw/zinc/43/32/41/608433241.db2.gz YIUIFUFIFVFLMR-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824562266 608563292 /nfs/dbraw/zinc/56/32/92/608563292.db2.gz DMIQXELOXAUYTG-NSHDSACASA-N -1 3 367.369 2.064 20 5 FEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826439136 609329816 /nfs/dbraw/zinc/32/98/16/609329816.db2.gz GNNATFWSZBPDKL-UHFFFAOYSA-N -1 3 372.772 2.401 20 5 FEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826439136 609329818 /nfs/dbraw/zinc/32/98/18/609329818.db2.gz GNNATFWSZBPDKL-UHFFFAOYSA-N -1 3 372.772 2.401 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])s1 ZINC000826483561 609442434 /nfs/dbraw/zinc/44/24/34/609442434.db2.gz RLWIPUHLBDNOAW-YRNVUSSQSA-N -1 3 368.334 2.181 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])s1 ZINC000826483561 609442436 /nfs/dbraw/zinc/44/24/36/609442436.db2.gz RLWIPUHLBDNOAW-YRNVUSSQSA-N -1 3 368.334 2.181 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(F)cn1 ZINC000826450716 609511358 /nfs/dbraw/zinc/51/13/58/609511358.db2.gz ABUAJTCCGFYKCP-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM Cc1nn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826334922 609535842 /nfs/dbraw/zinc/53/58/42/609535842.db2.gz PJQNYPYAEPRSIS-UHFFFAOYSA-N -1 3 366.385 2.027 20 5 FEBDHM Cc1nn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826334922 609535844 /nfs/dbraw/zinc/53/58/44/609535844.db2.gz PJQNYPYAEPRSIS-UHFFFAOYSA-N -1 3 366.385 2.027 20 5 FEBDHM C[C@@H](F)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815067443 674910523 /nfs/dbraw/zinc/91/05/23/674910523.db2.gz HOORYVHUNDFAPD-SSDOTTSWSA-N -1 3 355.185 2.384 20 5 FEBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000565568887 675133064 /nfs/dbraw/zinc/13/30/64/675133064.db2.gz NCGGVZDIALTRDC-ZDUSSCGKSA-N -1 3 362.835 2.324 20 5 FEBDHM CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C(=O)[O-])CCCCC1 ZINC000580572408 671818989 /nfs/dbraw/zinc/81/89/89/671818989.db2.gz UZZCZWKJQZTKNC-UHFFFAOYSA-N -1 3 370.427 2.088 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000118947249 671889383 /nfs/dbraw/zinc/88/93/83/671889383.db2.gz CABPTJFNRNDDLA-OAHLLOKOSA-N -1 3 370.814 2.434 20 5 FEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(N3CCSCC3)CCCC2)n1 ZINC000584532258 672197302 /nfs/dbraw/zinc/19/73/02/672197302.db2.gz FNXONOMDPSIPPN-UHFFFAOYSA-N -1 3 366.443 2.462 20 5 FEBDHM CSC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173176190 672348554 /nfs/dbraw/zinc/34/85/54/672348554.db2.gz BRMUNMWIMOUQRN-ZETCQYMHSA-N -1 3 369.262 2.387 20 5 FEBDHM CC[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000591328200 672670671 /nfs/dbraw/zinc/67/06/71/672670671.db2.gz BEOTULQDGCPHCP-LBPRGKRZSA-N -1 3 368.333 2.461 20 5 FEBDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593571547 672946667 /nfs/dbraw/zinc/94/66/67/672946667.db2.gz GZCVTLPGMADOAW-BMIGLBTASA-N -1 3 369.374 2.183 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)nc1 ZINC000593596459 672954346 /nfs/dbraw/zinc/95/43/46/672954346.db2.gz BCZWDYKXHXVBNK-UHFFFAOYSA-N -1 3 351.359 2.485 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CC2)nc1 ZINC000593607050 672956962 /nfs/dbraw/zinc/95/69/62/672956962.db2.gz FCKQRQOOLDAQGC-UHFFFAOYSA-N -1 3 351.359 2.183 20 5 FEBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000463105534 673298088 /nfs/dbraw/zinc/29/80/88/673298088.db2.gz GHKCECVUMSXYGM-NSHDSACASA-N -1 3 365.415 2.005 20 5 FEBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000597663745 673497331 /nfs/dbraw/zinc/49/73/31/673497331.db2.gz BWRPXRXRCQICQJ-UHFFFAOYSA-N -1 3 350.400 2.093 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601394072 673854610 /nfs/dbraw/zinc/85/46/10/673854610.db2.gz NIYVWTMIYWCGIR-JSGCOSHPSA-N -1 3 360.457 2.448 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830185010 677029253 /nfs/dbraw/zinc/02/92/53/677029253.db2.gz UDSHSUXDEOPUEW-UHFFFAOYSA-N -1 3 368.242 2.274 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(=O)n(C)c1 ZINC000765142261 680832465 /nfs/dbraw/zinc/83/24/65/680832465.db2.gz ICIJVNDDMNXPPH-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])c(N2CCc3nc[n-]c(=O)c3C2)cc1Cl ZINC000750567599 680123192 /nfs/dbraw/zinc/12/31/92/680123192.db2.gz RUEVVPSHKVSQES-UHFFFAOYSA-N -1 3 364.745 2.093 20 5 FEBDHM Cc1nc(C)c(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[n-]1 ZINC000756996778 680510220 /nfs/dbraw/zinc/51/02/20/680510220.db2.gz ICUNMPVPHFWFCO-UHFFFAOYSA-N -1 3 350.762 2.220 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000766205822 680870168 /nfs/dbraw/zinc/87/01/68/680870168.db2.gz ACRAZKRPEMRLEY-GFCCVEGCSA-N -1 3 357.407 2.029 20 5 FEBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000777533536 681500989 /nfs/dbraw/zinc/50/09/89/681500989.db2.gz VTSHVTHXTWJJFG-UHFFFAOYSA-N -1 3 366.399 2.026 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ncnc32)c1 ZINC000849424492 681729193 /nfs/dbraw/zinc/72/91/93/681729193.db2.gz SPUXRKQDIKCHCA-IUCAKERBSA-N -1 3 371.806 2.132 20 5 FEBDHM CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853232734 682395593 /nfs/dbraw/zinc/39/55/93/682395593.db2.gz DHLYFUYAMHMSSA-LLVKDONJSA-N -1 3 352.391 2.437 20 5 FEBDHM CCOC(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000786897912 682417129 /nfs/dbraw/zinc/41/71/29/682417129.db2.gz GFRSJIRACDKVTA-UHFFFAOYSA-N -1 3 366.823 2.316 20 5 FEBDHM COc1nc(Br)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000789878875 682635990 /nfs/dbraw/zinc/63/59/90/682635990.db2.gz VEBFLYNALXAKLC-UHFFFAOYSA-N -1 3 369.131 2.114 20 5 FEBDHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000790440994 682677353 /nfs/dbraw/zinc/67/73/53/682677353.db2.gz SXHJVJPTJMDJEJ-UHFFFAOYSA-N -1 3 374.806 2.462 20 5 FEBDHM COC(=O)c1cc(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000798247066 683327768 /nfs/dbraw/zinc/32/77/68/683327768.db2.gz WLAGJOBLNBOIQC-UHFFFAOYSA-N -1 3 370.115 2.384 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000921320230 683421444 /nfs/dbraw/zinc/42/14/44/683421444.db2.gz FTANZOSOTJIHEY-HOCLYGCPSA-N -1 3 366.370 2.486 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921862173 683598214 /nfs/dbraw/zinc/59/82/14/683598214.db2.gz QTJMFIVSRGORRQ-BXKDBHETSA-N -1 3 368.333 2.149 20 5 FEBDHM C[C@H]1CC2(CC([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000907723644 691546353 /nfs/dbraw/zinc/54/63/53/691546353.db2.gz MSDMQNCUPXKDRP-VOIZVOFFSA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000022864243 539701596 /nfs/dbraw/zinc/70/15/96/539701596.db2.gz RGJIGRDLZKFAEW-UHFFFAOYSA-N -1 3 368.349 2.348 20 5 FEBDHM CCOC(=O)c1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc([N+](=O)[O-])c1 ZINC000029388526 539852255 /nfs/dbraw/zinc/85/22/55/539852255.db2.gz XFOKEJLFBGPQQK-UHFFFAOYSA-N -1 3 373.247 2.161 20 5 FEBDHM CCOC(=O)c1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c1 ZINC000029388526 539852259 /nfs/dbraw/zinc/85/22/59/539852259.db2.gz XFOKEJLFBGPQQK-UHFFFAOYSA-N -1 3 373.247 2.161 20 5 FEBDHM CCOC(=O)c1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC000029388526 539852261 /nfs/dbraw/zinc/85/22/61/539852261.db2.gz XFOKEJLFBGPQQK-UHFFFAOYSA-N -1 3 373.247 2.161 20 5 FEBDHM COc1ccccc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030496551 539882904 /nfs/dbraw/zinc/88/29/04/539882904.db2.gz UEEGMSWXRZBLJI-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000032433387 539938110 /nfs/dbraw/zinc/93/81/10/539938110.db2.gz AVGILGGJTDQRMJ-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM Cc1ccnc2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3OC(F)F)nn21 ZINC000042918606 540082735 /nfs/dbraw/zinc/08/27/35/540082735.db2.gz CYBXNSMAPPJWIX-UHFFFAOYSA-N -1 3 364.268 2.195 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000047032400 540286439 /nfs/dbraw/zinc/28/64/39/540286439.db2.gz FOJWGRLBGDSJJN-OAHLLOKOSA-N -1 3 363.439 2.046 20 5 FEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000056012185 540694488 /nfs/dbraw/zinc/69/44/88/540694488.db2.gz HTESNWVCEQDTRG-UHFFFAOYSA-N -1 3 363.395 2.340 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327221 541302327 /nfs/dbraw/zinc/30/23/27/541302327.db2.gz RYZSDZZMKDGFPU-LBPRGKRZSA-N -1 3 355.441 2.238 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)C1 ZINC000068037564 541540856 /nfs/dbraw/zinc/54/08/56/541540856.db2.gz IHJWSLKPMBGATA-OAHLLOKOSA-N -1 3 361.423 2.148 20 5 FEBDHM Cc1nnc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000068460642 541595432 /nfs/dbraw/zinc/59/54/32/541595432.db2.gz RCAGACRJGSZUIZ-OAHLLOKOSA-N -1 3 373.394 2.089 20 5 FEBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC000091430914 542807010 /nfs/dbraw/zinc/80/70/10/542807010.db2.gz ANJBFVCTGMVVQF-GJZGRUSLSA-N -1 3 359.338 2.374 20 5 FEBDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000093867869 542943417 /nfs/dbraw/zinc/94/34/17/542943417.db2.gz AWZNUXMLWUMSDU-UHFFFAOYSA-N -1 3 365.411 2.336 20 5 FEBDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000102413194 543069067 /nfs/dbraw/zinc/06/90/67/543069067.db2.gz YGYTXRCTKCMNPN-UHFFFAOYSA-N -1 3 355.441 2.443 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123796609 543783347 /nfs/dbraw/zinc/78/33/47/543783347.db2.gz YLUIBPVBJBUCJQ-NSHDSACASA-N -1 3 359.473 2.260 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)c1C ZINC000124744920 543840759 /nfs/dbraw/zinc/84/07/59/543840759.db2.gz PYCWVEAQDLVJOV-GOEBONIOSA-N -1 3 356.444 2.431 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000130928491 544170969 /nfs/dbraw/zinc/17/09/69/544170969.db2.gz XJXVKSRSQNQWRY-GFCCVEGCSA-N -1 3 359.423 2.133 20 5 FEBDHM C[N-]S(=O)(=O)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])s1 ZINC000153548935 544790137 /nfs/dbraw/zinc/79/01/37/544790137.db2.gz SRJUVCSHAMQDNM-UHFFFAOYSA-N -1 3 362.820 2.225 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c1[N+](=O)[O-] ZINC000190160521 328192023 /nfs/dbraw/zinc/19/20/23/328192023.db2.gz WFWTUTHPABBGOJ-GFCCVEGCSA-N -1 3 354.384 2.207 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000191708808 328278091 /nfs/dbraw/zinc/27/80/91/328278091.db2.gz NGJPZDZWPFHYGJ-UHFFFAOYSA-N -1 3 355.350 2.404 20 5 FEBDHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192758060 328337526 /nfs/dbraw/zinc/33/75/26/328337526.db2.gz MJHCADPSLXYZNN-UHFFFAOYSA-N -1 3 355.759 2.148 20 5 FEBDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000010090548 324365844 /nfs/dbraw/zinc/36/58/44/324365844.db2.gz HPZNVEZJHIXWLC-INIZCTEOSA-N -1 3 363.439 2.484 20 5 FEBDHM CC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000116651637 326028599 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363.337 2.432 20 5 FEBDHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000122080654 326383057 /nfs/dbraw/zinc/38/30/57/326383057.db2.gz AONWOPUTEJCYBF-LLVKDONJSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c1C ZINC000159529907 326934372 /nfs/dbraw/zinc/93/43/72/326934372.db2.gz XOOGLWVRZLAKCZ-HNNXBMFYSA-N -1 3 356.444 2.431 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000159905862 326946404 /nfs/dbraw/zinc/94/64/04/326946404.db2.gz PDIBOYFAYISJTP-SECBINFHSA-N -1 3 369.399 2.118 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000162761497 327034198 /nfs/dbraw/zinc/03/41/98/327034198.db2.gz IJHKQEAWINRILS-KWQFWETISA-N -1 3 368.333 2.459 20 5 FEBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163464999 327052139 /nfs/dbraw/zinc/05/21/39/327052139.db2.gz DJXCHJHGCKZEFP-GHMZBOCLSA-N -1 3 368.333 2.459 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCN(CC2CC2)CC1 ZINC000170665970 327092432 /nfs/dbraw/zinc/09/24/32/327092432.db2.gz DNOUDDHNKOTSSG-UHFFFAOYSA-N -1 3 373.862 2.401 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)NCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000171400193 327137010 /nfs/dbraw/zinc/13/70/10/327137010.db2.gz ONTNIXGBVVRKDT-UHFFFAOYSA-N -1 3 357.366 2.045 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000173538422 327264869 /nfs/dbraw/zinc/26/48/69/327264869.db2.gz LZGUMRJNVLTATF-ZIAGYGMSSA-N -1 3 368.390 2.393 20 5 FEBDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175127523 327375596 /nfs/dbraw/zinc/37/55/96/327375596.db2.gz HKFZVQOCTRSLNX-ABAIWWIYSA-N -1 3 360.407 2.463 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000175877379 327419036 /nfs/dbraw/zinc/41/90/36/327419036.db2.gz BJDYRLCJFWTKEM-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CCc1n[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000178019736 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20 5 FEBDHM CC(C)CO[N-]C(=O)c1ccc(C(=O)NOCC(C)C)cc1[N+](=O)[O-] ZINC000269719655 329543251 /nfs/dbraw/zinc/54/32/51/329543251.db2.gz RUVJXHSXBWUSOP-UHFFFAOYSA-N -1 3 353.375 2.230 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1([C@@H](C)CCO)CCC1 ZINC000271843537 329729988 /nfs/dbraw/zinc/72/99/88/329729988.db2.gz QPWHDNBBEIOZEG-LBPRGKRZSA-N -1 3 372.443 2.071 20 5 FEBDHM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000273109977 329837859 /nfs/dbraw/zinc/83/78/59/329837859.db2.gz RADNDJKOSZADLF-CQSZACIVSA-N -1 3 370.365 2.247 20 5 FEBDHM O=C(Nc1ccccc1Cn1cncn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000155432342 545526092 /nfs/dbraw/zinc/52/60/92/545526092.db2.gz ZUPGWCIYCDWHIZ-UHFFFAOYSA-N -1 3 363.337 2.363 20 5 FEBDHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000158434095 545859506 /nfs/dbraw/zinc/85/95/06/545859506.db2.gz GBWZFXIGQINNRP-SECBINFHSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2CO)cc1C ZINC000159757637 545978258 /nfs/dbraw/zinc/97/82/58/545978258.db2.gz TVESHSHQJWSWNI-UHFFFAOYSA-N -1 3 350.396 2.182 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000163757573 546147807 /nfs/dbraw/zinc/14/78/07/546147807.db2.gz LUEPBAOIHOFHHC-UHFFFAOYSA-N -1 3 374.372 2.471 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)oc1C ZINC000480860856 561218551 /nfs/dbraw/zinc/21/85/51/561218551.db2.gz BNEHMKYMNAYUHK-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000480893526 561219589 /nfs/dbraw/zinc/21/95/89/561219589.db2.gz NZKYWOCKWJLRKL-LBPRGKRZSA-N -1 3 363.395 2.041 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000481003658 561222563 /nfs/dbraw/zinc/22/25/63/561222563.db2.gz KVKBIHCXEWENIF-UHFFFAOYSA-N -1 3 365.411 2.136 20 5 FEBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000481221911 561228186 /nfs/dbraw/zinc/22/81/86/561228186.db2.gz 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Cc1ccc([C@@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184534047 547841451 /nfs/dbraw/zinc/84/14/51/547841451.db2.gz QIASKCBVMMHXFZ-INIZCTEOSA-N -1 3 350.396 2.056 20 5 FEBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000485654570 561324935 /nfs/dbraw/zinc/32/49/35/561324935.db2.gz VFEAGVHVCLTUMW-UHFFFAOYSA-N -1 3 360.280 2.234 20 5 FEBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000485654570 561324936 /nfs/dbraw/zinc/32/49/36/561324936.db2.gz VFEAGVHVCLTUMW-UHFFFAOYSA-N -1 3 360.280 2.234 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000247060011 549275078 /nfs/dbraw/zinc/27/50/78/549275078.db2.gz SKACKQJLKXIGGG-ZWKOPEQDSA-N -1 3 360.819 2.340 20 5 FEBDHM Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[n-]c(=O)n1 ZINC000268875084 550126134 /nfs/dbraw/zinc/12/61/34/550126134.db2.gz QRFPYJRMDGUSJM-UHFFFAOYSA-N -1 3 358.354 2.082 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276888880 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ZINC000451853070 560332378 /nfs/dbraw/zinc/33/23/78/560332378.db2.gz LGQHPQKUNHEECR-DZGCQCFKSA-N -1 3 358.460 2.471 20 5 FEBDHM CCCc1ncc(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])o1 ZINC000451960545 560340821 /nfs/dbraw/zinc/34/08/21/560340821.db2.gz PQMIYIDIWRHUHF-UHFFFAOYSA-N -1 3 353.400 2.197 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000451966648 560341103 /nfs/dbraw/zinc/34/11/03/560341103.db2.gz PDCJZAKOUUMLOD-IUODEOHRSA-N -1 3 363.395 2.188 20 5 FEBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463802545 560825048 /nfs/dbraw/zinc/82/50/48/560825048.db2.gz YOICLIVPVBKFPG-UHFFFAOYSA-N -1 3 360.351 2.353 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000463866407 560827268 /nfs/dbraw/zinc/82/72/68/560827268.db2.gz QSMDKBUQZQSSGH-GJZGRUSLSA-N -1 3 372.443 2.474 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000466926387 560899409 /nfs/dbraw/zinc/89/94/09/560899409.db2.gz RRNMYDMAIIXBSN-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000467397902 560909431 /nfs/dbraw/zinc/90/94/31/560909431.db2.gz BWUOSPKGLGUAII-JTQLQIEISA-N -1 3 356.429 2.054 20 5 FEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000472314799 561024022 /nfs/dbraw/zinc/02/40/22/561024022.db2.gz CAISETFOVUNPTE-UHFFFAOYSA-N -1 3 372.443 2.479 20 5 FEBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000474183031 561067777 /nfs/dbraw/zinc/06/77/77/561067777.db2.gz GKLQZXPDPLENCB-OAHLLOKOSA-N -1 3 364.423 2.439 20 5 FEBDHM COc1cccc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000475428126 561096965 /nfs/dbraw/zinc/09/69/65/561096965.db2.gz JMKGKTAIPYOFTL-SFHVURJKSA-N -1 3 370.365 2.270 20 5 FEBDHM O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2nc[n-]c(=O)c2C1 ZINC000476985249 561133735 /nfs/dbraw/zinc/13/37/35/561133735.db2.gz NGNZCTFRVLZNIX-UHFFFAOYSA-N -1 3 372.384 2.375 20 5 FEBDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000534530399 562536213 /nfs/dbraw/zinc/53/62/13/562536213.db2.gz CTMVGZQTYVEXIU-HNNXBMFYSA-N -1 3 365.386 2.199 20 5 FEBDHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000545786438 562630199 /nfs/dbraw/zinc/63/01/99/562630199.db2.gz VVCIVFKCDCAEJU-UHFFFAOYSA-N -1 3 368.415 2.097 20 5 FEBDHM COc1cc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1O ZINC000737044756 598943110 /nfs/dbraw/zinc/94/31/10/598943110.db2.gz DYAPMQLUWKYJBO-UHFFFAOYSA-N -1 3 356.342 2.144 20 5 FEBDHM COc1cc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1O ZINC000737044756 598943112 /nfs/dbraw/zinc/94/31/12/598943112.db2.gz DYAPMQLUWKYJBO-UHFFFAOYSA-N -1 3 356.342 2.144 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822491805 599046665 /nfs/dbraw/zinc/04/66/65/599046665.db2.gz GHNWFBXSPKVDPY-VIFPVBQESA-N -1 3 356.390 2.168 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822491805 599046667 /nfs/dbraw/zinc/04/66/67/599046667.db2.gz GHNWFBXSPKVDPY-VIFPVBQESA-N -1 3 356.390 2.168 20 5 FEBDHM Cc1cccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822328286 599057654 /nfs/dbraw/zinc/05/76/54/599057654.db2.gz OGLJUZJXAUOTGO-LLVKDONJSA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1cccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822328286 599057657 /nfs/dbraw/zinc/05/76/57/599057657.db2.gz OGLJUZJXAUOTGO-LLVKDONJSA-N -1 3 355.358 2.358 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738369836 599172539 /nfs/dbraw/zinc/17/25/39/599172539.db2.gz PTAORJIDOKPHSW-UFBFGSQYSA-N -1 3 359.296 2.416 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738369836 599172540 /nfs/dbraw/zinc/17/25/40/599172540.db2.gz PTAORJIDOKPHSW-UFBFGSQYSA-N -1 3 359.296 2.416 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000738366143 599273622 /nfs/dbraw/zinc/27/36/22/599273622.db2.gz DYHZCODTADDCBH-CYBMUJFWSA-N -1 3 367.325 2.062 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccco3)cc(-c3nn[n-]n3)c2c1 ZINC000738366143 599273624 /nfs/dbraw/zinc/27/36/24/599273624.db2.gz DYHZCODTADDCBH-CYBMUJFWSA-N -1 3 367.325 2.062 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2cc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000823651536 607329900 /nfs/dbraw/zinc/32/99/00/607329900.db2.gz NDUNTYQAYQSQMB-UHFFFAOYSA-N -1 3 350.342 2.306 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2cc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823651536 607329901 /nfs/dbraw/zinc/32/99/01/607329901.db2.gz NDUNTYQAYQSQMB-UHFFFAOYSA-N -1 3 350.342 2.306 20 5 FEBDHM CCc1nccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736706028 598338643 /nfs/dbraw/zinc/33/86/43/598338643.db2.gz SCQLNGDKFWJXMQ-CYBMUJFWSA-N -1 3 368.401 2.375 20 5 FEBDHM CCc1nccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736706028 598338646 /nfs/dbraw/zinc/33/86/46/598338646.db2.gz SCQLNGDKFWJXMQ-CYBMUJFWSA-N -1 3 368.401 2.375 20 5 FEBDHM CN(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736800276 598367667 /nfs/dbraw/zinc/36/76/67/598367667.db2.gz IHWUNAOIWUEREQ-UHFFFAOYSA-N -1 3 363.378 2.054 20 5 FEBDHM CN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736800276 598367668 /nfs/dbraw/zinc/36/76/68/598367668.db2.gz IHWUNAOIWUEREQ-UHFFFAOYSA-N -1 3 363.378 2.054 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000738359631 598379288 /nfs/dbraw/zinc/37/92/88/598379288.db2.gz KVFCNFOAYBPCDN-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000738359631 598379289 /nfs/dbraw/zinc/37/92/89/598379289.db2.gz KVFCNFOAYBPCDN-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738368996 598457965 /nfs/dbraw/zinc/45/79/65/598457965.db2.gz HRTNLAXAKSTBJA-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738368996 598457966 /nfs/dbraw/zinc/45/79/66/598457966.db2.gz HRTNLAXAKSTBJA-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM Cc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(N)c([N+](=O)[O-])c1 ZINC000737241075 598531450 /nfs/dbraw/zinc/53/14/50/598531450.db2.gz JJKMZYIWVNWYLI-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM Cc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(N)c([N+](=O)[O-])c1 ZINC000737241075 598531452 /nfs/dbraw/zinc/53/14/52/598531452.db2.gz JJKMZYIWVNWYLI-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000737143156 598613130 /nfs/dbraw/zinc/61/31/30/598613130.db2.gz PRARLTFHGHOULV-LBPRGKRZSA-N -1 3 368.353 2.199 20 5 FEBDHM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000737143156 598613131 /nfs/dbraw/zinc/61/31/31/598613131.db2.gz PRARLTFHGHOULV-LBPRGKRZSA-N -1 3 368.353 2.199 20 5 FEBDHM Cc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000822201112 599493867 /nfs/dbraw/zinc/49/38/67/599493867.db2.gz RBPFMLCNZRQPDC-UHFFFAOYSA-N -1 3 352.314 2.232 20 5 FEBDHM Cc1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000822201112 599493868 /nfs/dbraw/zinc/49/38/68/599493868.db2.gz RBPFMLCNZRQPDC-UHFFFAOYSA-N -1 3 352.314 2.232 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000826251957 607388505 /nfs/dbraw/zinc/38/85/05/607388505.db2.gz ILRYIXCVRNRFSI-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000826251957 607388507 /nfs/dbraw/zinc/38/85/07/607388507.db2.gz ILRYIXCVRNRFSI-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM COc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826188456 607409115 /nfs/dbraw/zinc/40/91/15/607409115.db2.gz XRYOEIYZZBXVEL-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826188456 607409116 /nfs/dbraw/zinc/40/91/16/607409116.db2.gz XRYOEIYZZBXVEL-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000821613667 607452466 /nfs/dbraw/zinc/45/24/66/607452466.db2.gz XLPBWJVGOPOVKJ-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000821613667 607452468 /nfs/dbraw/zinc/45/24/68/607452468.db2.gz XLPBWJVGOPOVKJ-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM COc1ccc(OCCN2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000566357287 600830712 /nfs/dbraw/zinc/83/07/12/600830712.db2.gz OKGJNZJNDXTKOI-ZDUSSCGKSA-N -1 3 350.371 2.169 20 5 FEBDHM C[C@@H](CN1CCCCC1)Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000827455604 601248121 /nfs/dbraw/zinc/24/81/21/601248121.db2.gz MNKPDIPSDGYPDX-JTQLQIEISA-N -1 3 352.347 2.488 20 5 FEBDHM CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825590597 607522767 /nfs/dbraw/zinc/52/27/67/607522767.db2.gz XDDVZEMHRFSPSU-UHFFFAOYSA-N -1 3 354.754 2.184 20 5 FEBDHM CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825590597 607522768 /nfs/dbraw/zinc/52/27/68/607522768.db2.gz XDDVZEMHRFSPSU-UHFFFAOYSA-N -1 3 354.754 2.184 20 5 FEBDHM CC(C)COCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824272302 607524347 /nfs/dbraw/zinc/52/43/47/607524347.db2.gz VRYYKBSZIYKKPG-UHFFFAOYSA-N -1 3 368.781 2.430 20 5 FEBDHM CC(C)COCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824272302 607524348 /nfs/dbraw/zinc/52/43/48/607524348.db2.gz VRYYKBSZIYKKPG-UHFFFAOYSA-N -1 3 368.781 2.430 20 5 FEBDHM CN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810039 674511056 /nfs/dbraw/zinc/51/10/56/674511056.db2.gz IUTCEPNGVGATMO-MRVPVSSYSA-N -1 3 368.242 2.274 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809814029 674511627 /nfs/dbraw/zinc/51/16/27/674511627.db2.gz WWFLMCLZMIEVHG-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(COC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205798 607610800 /nfs/dbraw/zinc/61/08/00/607610800.db2.gz NNKXDHBLMVDIRF-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205798 607610801 /nfs/dbraw/zinc/61/08/01/607610801.db2.gz NNKXDHBLMVDIRF-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205551 607610897 /nfs/dbraw/zinc/61/08/97/607610897.db2.gz ACZTWHROLXDZHN-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205551 607610899 /nfs/dbraw/zinc/61/08/99/607610899.db2.gz ACZTWHROLXDZHN-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC2([C@H](O)c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501091 607735421 /nfs/dbraw/zinc/73/54/21/607735421.db2.gz ZBYQDTKBOXJHCR-CQSZACIVSA-N -1 3 367.369 2.096 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC2([C@H](O)c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826501091 607735422 /nfs/dbraw/zinc/73/54/22/607735422.db2.gz ZBYQDTKBOXJHCR-CQSZACIVSA-N -1 3 367.369 2.096 20 5 FEBDHM COC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821682356 606140309 /nfs/dbraw/zinc/14/03/09/606140309.db2.gz CIBITYIFLVNYGS-ZDUSSCGKSA-N -1 3 354.370 2.445 20 5 FEBDHM COC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821682356 606140311 /nfs/dbraw/zinc/14/03/11/606140311.db2.gz CIBITYIFLVNYGS-ZDUSSCGKSA-N -1 3 354.370 2.445 20 5 FEBDHM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccnc1 ZINC000820020867 606228964 /nfs/dbraw/zinc/22/89/64/606228964.db2.gz LMCSHSWJBHDPLF-CQSZACIVSA-N -1 3 354.374 2.417 20 5 FEBDHM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccnc1 ZINC000820020867 606228966 /nfs/dbraw/zinc/22/89/66/606228966.db2.gz LMCSHSWJBHDPLF-CQSZACIVSA-N -1 3 354.374 2.417 20 5 FEBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496716 606344295 /nfs/dbraw/zinc/34/42/95/606344295.db2.gz OPRBISVKISKBMH-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496716 606344298 /nfs/dbraw/zinc/34/42/98/606344298.db2.gz OPRBISVKISKBMH-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000820995904 606420963 /nfs/dbraw/zinc/42/09/63/606420963.db2.gz ZZAQHYQBHVHXCB-KGLIPLIRSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000820995904 606420965 /nfs/dbraw/zinc/42/09/65/606420965.db2.gz ZZAQHYQBHVHXCB-KGLIPLIRSA-N -1 3 373.417 2.001 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000823630492 606951421 /nfs/dbraw/zinc/95/14/21/606951421.db2.gz YENBRVOHQFONOX-WFASDCNBSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000823630492 606951423 /nfs/dbraw/zinc/95/14/23/606951423.db2.gz YENBRVOHQFONOX-WFASDCNBSA-N -1 3 370.369 2.460 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000823422183 606996085 /nfs/dbraw/zinc/99/60/85/606996085.db2.gz QAYILNLSQLTMNM-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000823422183 606996087 /nfs/dbraw/zinc/99/60/87/606996087.db2.gz QAYILNLSQLTMNM-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000822270932 607170698 /nfs/dbraw/zinc/17/06/98/607170698.db2.gz DVZDQVCACFEXAS-UHFFFAOYSA-N -1 3 372.316 2.240 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000822270932 607170699 /nfs/dbraw/zinc/17/06/99/607170699.db2.gz DVZDQVCACFEXAS-UHFFFAOYSA-N -1 3 372.316 2.240 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822969673 607245576 /nfs/dbraw/zinc/24/55/76/607245576.db2.gz WPRGEKJSOUHWIA-UHFFFAOYSA-N -1 3 372.316 2.322 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822969673 607245577 /nfs/dbraw/zinc/24/55/77/607245577.db2.gz WPRGEKJSOUHWIA-UHFFFAOYSA-N -1 3 372.316 2.322 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000824669945 607850073 /nfs/dbraw/zinc/85/00/73/607850073.db2.gz IYCKVPCKBUPWJX-NOZJJQNGSA-N -1 3 353.342 2.147 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824669945 607850074 /nfs/dbraw/zinc/85/00/74/607850074.db2.gz IYCKVPCKBUPWJX-NOZJJQNGSA-N -1 3 353.342 2.147 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(F)cc1F ZINC000826497889 607873550 /nfs/dbraw/zinc/87/35/50/607873550.db2.gz XSZQWHVKQMATAR-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(F)cc1F ZINC000826497889 607873551 /nfs/dbraw/zinc/87/35/51/607873551.db2.gz XSZQWHVKQMATAR-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1c(N2CCc3ccc(-c4nnn[n-]4)cc32)nc2sccn21 ZINC000826497890 607936095 /nfs/dbraw/zinc/93/60/95/607936095.db2.gz XVDDYRAVDQUEMM-UHFFFAOYSA-N -1 3 354.355 2.178 20 5 FEBDHM O=[N+]([O-])c1c(N2CCc3ccc(-c4nn[n-]n4)cc32)nc2sccn21 ZINC000826497890 607936096 /nfs/dbraw/zinc/93/60/96/607936096.db2.gz XVDDYRAVDQUEMM-UHFFFAOYSA-N -1 3 354.355 2.178 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826497363 607937081 /nfs/dbraw/zinc/93/70/81/607937081.db2.gz FDOODIVYFUIDLH-DZGCQCFKSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826497363 607937082 /nfs/dbraw/zinc/93/70/82/607937082.db2.gz FDOODIVYFUIDLH-DZGCQCFKSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826499318 607968395 /nfs/dbraw/zinc/96/83/95/607968395.db2.gz DTWXZRNVZOTNPZ-UHFFFAOYSA-N -1 3 369.410 2.304 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826499318 607968396 /nfs/dbraw/zinc/96/83/96/607968396.db2.gz DTWXZRNVZOTNPZ-UHFFFAOYSA-N -1 3 369.410 2.304 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826439954 608007413 /nfs/dbraw/zinc/00/74/13/608007413.db2.gz RNPPUZDLCDSFPQ-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826439954 608007414 /nfs/dbraw/zinc/00/74/14/608007414.db2.gz RNPPUZDLCDSFPQ-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824705837 608183096 /nfs/dbraw/zinc/18/30/96/608183096.db2.gz FPJSUPIVLOMNGV-JTQLQIEISA-N -1 3 371.357 2.011 20 5 FEBDHM C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824705837 608183100 /nfs/dbraw/zinc/18/31/00/608183100.db2.gz FPJSUPIVLOMNGV-JTQLQIEISA-N -1 3 371.357 2.011 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826170761 608319523 /nfs/dbraw/zinc/31/95/23/608319523.db2.gz OTYXGZRRYFYKTG-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826170761 608319525 /nfs/dbraw/zinc/31/95/25/608319525.db2.gz OTYXGZRRYFYKTG-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM Cc1ccc(NCCCNc2cnccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826291885 608787638 /nfs/dbraw/zinc/78/76/38/608787638.db2.gz ZSMVJIWJIUZAHM-UHFFFAOYSA-N -1 3 354.374 2.392 20 5 FEBDHM Cc1ccc(NCCCNc2cnccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826291885 608787639 /nfs/dbraw/zinc/78/76/39/608787639.db2.gz ZSMVJIWJIUZAHM-UHFFFAOYSA-N -1 3 354.374 2.392 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])s1 ZINC000826483560 609442555 /nfs/dbraw/zinc/44/25/55/609442555.db2.gz RLWIPUHLBDNOAW-XFFZJAGNSA-N -1 3 368.334 2.181 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])s1 ZINC000826483560 609442557 /nfs/dbraw/zinc/44/25/57/609442557.db2.gz RLWIPUHLBDNOAW-XFFZJAGNSA-N -1 3 368.334 2.181 20 5 FEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826278498 609450942 /nfs/dbraw/zinc/45/09/42/609450942.db2.gz GIOKJYQZPKOLAG-UHFFFAOYSA-N -1 3 368.309 2.064 20 5 FEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826278498 609450944 /nfs/dbraw/zinc/45/09/44/609450944.db2.gz GIOKJYQZPKOLAG-UHFFFAOYSA-N -1 3 368.309 2.064 20 5 FEBDHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000752101115 609477245 /nfs/dbraw/zinc/47/72/45/609477245.db2.gz FILXXOBZBWJNSK-BENRWUELSA-N -1 3 364.365 2.495 20 5 FEBDHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000752101115 609477247 /nfs/dbraw/zinc/47/72/47/609477247.db2.gz FILXXOBZBWJNSK-BENRWUELSA-N -1 3 364.365 2.495 20 5 FEBDHM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000116902590 670909320 /nfs/dbraw/zinc/90/93/20/670909320.db2.gz YZPINLDCFSUNDS-OAQYLSRUSA-N -1 3 368.864 2.074 20 5 FEBDHM COCC(C)(C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000584472168 672191630 /nfs/dbraw/zinc/19/16/30/672191630.db2.gz DMWUXAYRFSJJNE-UHFFFAOYSA-N -1 3 351.403 2.148 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000175691268 672370061 /nfs/dbraw/zinc/37/00/61/672370061.db2.gz LOXCHAWQCPIDNP-UHFFFAOYSA-N -1 3 367.358 2.203 20 5 FEBDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000588862754 672486848 /nfs/dbraw/zinc/48/68/48/672486848.db2.gz SLLWWJPOSRTRFR-BDAKNGLRSA-N -1 3 364.383 2.150 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)O ZINC000591325502 672669776 /nfs/dbraw/zinc/66/97/76/672669776.db2.gz DNBGAVYXXDRCSC-SSDOTTSWSA-N -1 3 356.322 2.051 20 5 FEBDHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000192676750 672698246 /nfs/dbraw/zinc/69/82/46/672698246.db2.gz VFCBTINXWGPNKD-UHFFFAOYSA-N -1 3 372.834 2.120 20 5 FEBDHM O=C(Nc1nnc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000591887998 672718590 /nfs/dbraw/zinc/71/85/90/672718590.db2.gz UEBDIEICXJSEIQ-UHFFFAOYSA-N -1 3 357.351 2.390 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)nc1 ZINC000593577535 672949101 /nfs/dbraw/zinc/94/91/01/672949101.db2.gz KRYIDOWQBYCLHX-UKRRQHHQSA-N -1 3 363.395 2.188 20 5 FEBDHM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@@H]1CCCN1C1CCCCC1 ZINC000594781489 673140463 /nfs/dbraw/zinc/14/04/63/673140463.db2.gz QCICASXMDLCGFV-AWEZNQCLSA-N -1 3 368.459 2.065 20 5 FEBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CO1 ZINC000594790795 673143544 /nfs/dbraw/zinc/14/35/44/673143544.db2.gz WZGQVXNDAOPYJK-SECBINFHSA-N -1 3 368.333 2.459 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000594859004 673167214 /nfs/dbraw/zinc/16/72/14/673167214.db2.gz XCYQASANAXTVMF-GFCCVEGCSA-N -1 3 350.343 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000594867148 673171548 /nfs/dbraw/zinc/17/15/48/673171548.db2.gz XVGLFHBRDQXMGW-UHFFFAOYSA-N -1 3 360.819 2.078 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCOC1 ZINC000540071297 673522431 /nfs/dbraw/zinc/52/24/31/673522431.db2.gz PMBRDNDINUGDFM-GFCCVEGCSA-N -1 3 368.333 2.461 20 5 FEBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000820213301 675344192 /nfs/dbraw/zinc/34/41/92/675344192.db2.gz JZJUOIVQPFQSMV-UHFFFAOYSA-N -1 3 356.323 2.434 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000619448873 676377040 /nfs/dbraw/zinc/37/70/40/676377040.db2.gz JLEJACVHJRFZIE-QMMMGPOBSA-N -1 3 350.306 2.376 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c[n-]1 ZINC000619448873 676377042 /nfs/dbraw/zinc/37/70/42/676377042.db2.gz JLEJACVHJRFZIE-QMMMGPOBSA-N -1 3 350.306 2.376 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCn2cccc2)c1 ZINC000749300864 680037680 /nfs/dbraw/zinc/03/76/80/680037680.db2.gz RYRVNKSVTBLDII-UHFFFAOYSA-N -1 3 374.216 2.137 20 5 FEBDHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000845806740 681154024 /nfs/dbraw/zinc/15/40/24/681154024.db2.gz GDEBXTNABDLAPA-UHFFFAOYSA-N -1 3 351.384 2.046 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000848509642 681567378 /nfs/dbraw/zinc/56/73/78/681567378.db2.gz LMOMAKKHUOBPST-STQMWFEESA-N -1 3 357.407 2.029 20 5 FEBDHM O=C([N-][C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778254211 681590070 /nfs/dbraw/zinc/59/00/70/681590070.db2.gz VEGDKMOILVQSJI-SNVBAGLBSA-N -1 3 367.274 2.439 20 5 FEBDHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)N(CC)CC ZINC000778599523 681628103 /nfs/dbraw/zinc/62/81/03/681628103.db2.gz IQBBPOQCJPBHHM-AWEZNQCLSA-N -1 3 371.459 2.137 20 5 FEBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000783498727 682147373 /nfs/dbraw/zinc/14/73/73/682147373.db2.gz AXMVOMAQOMZBBD-UHFFFAOYSA-N -1 3 360.709 2.489 20 5 FEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821667 682148289 /nfs/dbraw/zinc/14/82/89/682148289.db2.gz WVFJGLLWNXFNJQ-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790452280 682679094 /nfs/dbraw/zinc/67/90/94/682679094.db2.gz XGUDSVOEFNQOKR-CYBMUJFWSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000790887513 682710105 /nfs/dbraw/zinc/71/01/05/682710105.db2.gz ALCZYYBXCUFVKE-UHFFFAOYSA-N -1 3 351.340 2.290 20 5 FEBDHM CC(C)(C)n1nnc(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000857599685 682895924 /nfs/dbraw/zinc/89/59/24/682895924.db2.gz QNTLDAXSZFTGIE-UHFFFAOYSA-N -1 3 369.179 2.351 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOC(F)(F)C(F)(F)F ZINC000872559988 684978640 /nfs/dbraw/zinc/97/86/40/684978640.db2.gz FKKCUAQWXSKZIM-UHFFFAOYSA-N -1 3 364.248 2.045 20 5 FEBDHM COc1c([O-])ccc(CN2CCSC[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000893993537 689445472 /nfs/dbraw/zinc/44/54/72/689445472.db2.gz VASADXIXODNEAB-ZDUSSCGKSA-N -1 3 364.427 2.333 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@]23C[C@H]2COC32CCC2)c(F)cc1[N+](=O)[O-] ZINC000908120606 691618066 /nfs/dbraw/zinc/61/80/66/691618066.db2.gz RQJCMPSIWBDOOW-XHDPSFHLSA-N -1 3 370.402 2.280 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)nc1 ZINC000028040918 539824762 /nfs/dbraw/zinc/82/47/62/539824762.db2.gz MUNSWCQXLZWCLO-UHFFFAOYSA-N -1 3 362.411 2.069 20 5 FEBDHM Cc1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1[N+](=O)[O-] ZINC000046412237 540255986 /nfs/dbraw/zinc/25/59/86/540255986.db2.gz PAQUZGMLTPRIBR-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000047414193 540308462 /nfs/dbraw/zinc/30/84/62/540308462.db2.gz PXVUAEWFVLQGAE-UHFFFAOYSA-N -1 3 360.335 2.135 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCCCCC2)cc1C ZINC000060442766 541112396 /nfs/dbraw/zinc/11/23/96/541112396.db2.gz DZMLIZPEQXQBLE-UHFFFAOYSA-N -1 3 355.460 2.366 20 5 FEBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000066935692 541396553 /nfs/dbraw/zinc/39/65/53/541396553.db2.gz KIGGFXGZGOJNBF-UHFFFAOYSA-N -1 3 356.379 2.046 20 5 FEBDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000066938464 541397806 /nfs/dbraw/zinc/39/78/06/541397806.db2.gz LKWPFXAVADIVGQ-UHFFFAOYSA-N -1 3 365.411 2.402 20 5 FEBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000068974144 541646006 /nfs/dbraw/zinc/64/60/06/541646006.db2.gz AIUMRAKUPTZGGN-UHFFFAOYSA-N -1 3 370.394 2.427 20 5 FEBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000068974144 541646008 /nfs/dbraw/zinc/64/60/08/541646008.db2.gz AIUMRAKUPTZGGN-UHFFFAOYSA-N -1 3 370.394 2.427 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124858659 543847382 /nfs/dbraw/zinc/84/73/82/543847382.db2.gz ZBHHGCLXTHPAFR-KBPBESRZSA-N -1 3 362.835 2.468 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000129238583 544099436 /nfs/dbraw/zinc/09/94/36/544099436.db2.gz PPCPFHUYYROFCW-BBRMVZONSA-N -1 3 364.423 2.174 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(C)(C)CCO)c1 ZINC000180057965 327669453 /nfs/dbraw/zinc/66/94/53/327669453.db2.gz MKVULPRWYZFRSW-UHFFFAOYSA-N -1 3 350.824 2.244 20 5 FEBDHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188273229 328077170 /nfs/dbraw/zinc/07/71/70/328077170.db2.gz RRFSTSXDMKHPFQ-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000190004993 328181873 /nfs/dbraw/zinc/18/18/73/328181873.db2.gz DDQLFVZMEODLCL-GLQYFDAESA-N -1 3 354.428 2.303 20 5 FEBDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193586460 328383852 /nfs/dbraw/zinc/38/38/52/328383852.db2.gz QDXMEOPLHIOVHB-OAHLLOKOSA-N -1 3 356.382 2.090 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCN(C2CC2)CC1 ZINC000119526610 326171701 /nfs/dbraw/zinc/17/17/01/326171701.db2.gz VEDUWHAFZDZOEJ-UHFFFAOYSA-N -1 3 359.835 2.153 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1[N+](=O)[O-] ZINC000119586864 326178015 /nfs/dbraw/zinc/17/80/15/326178015.db2.gz ALKQZZLORNDHAD-UHFFFAOYSA-N -1 3 371.313 2.187 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1[N+](=O)[O-] ZINC000119586864 326178016 /nfs/dbraw/zinc/17/80/16/326178016.db2.gz ALKQZZLORNDHAD-UHFFFAOYSA-N -1 3 371.313 2.187 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C ZINC000120693274 326279178 /nfs/dbraw/zinc/27/91/78/326279178.db2.gz ZMOHGHBKTPSPLR-UHFFFAOYSA-N -1 3 371.459 2.122 20 5 FEBDHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000131269920 326571495 /nfs/dbraw/zinc/57/14/95/326571495.db2.gz PACJMGSDABMXCY-UHFFFAOYSA-N -1 3 361.851 2.258 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@@H]21 ZINC000153351384 326730846 /nfs/dbraw/zinc/73/08/46/326730846.db2.gz XZJZIVWHDGYBEA-WQAKAFBOSA-N -1 3 360.819 2.340 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000154278864 326755742 /nfs/dbraw/zinc/75/57/42/326755742.db2.gz QXXWSJSGKVCEHL-XOKHGSTOSA-N -1 3 360.391 2.220 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000156552470 326835521 /nfs/dbraw/zinc/83/55/21/326835521.db2.gz XSFQZKFCSYTPLB-UHFFFAOYSA-N -1 3 373.394 2.364 20 5 FEBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164277265 327067513 /nfs/dbraw/zinc/06/75/13/327067513.db2.gz AKZYBMCUNFZRRL-CYBMUJFWSA-N -1 3 370.452 2.160 20 5 FEBDHM O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164609748 327072340 /nfs/dbraw/zinc/07/23/40/327072340.db2.gz IYVZQGHDVXMAJU-UHFFFAOYSA-N -1 3 363.414 2.065 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)NCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000170828974 327101058 /nfs/dbraw/zinc/10/10/58/327101058.db2.gz QRFOYWGCQDLGNT-UHFFFAOYSA-N -1 3 357.366 2.045 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(CO)c2)cc1C ZINC000171509333 327143423 /nfs/dbraw/zinc/14/34/23/327143423.db2.gz GBOMRMMVZYZVSU-UHFFFAOYSA-N -1 3 350.396 2.182 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c([N+](=O)[O-])c1 ZINC000173610231 327270932 /nfs/dbraw/zinc/27/09/32/327270932.db2.gz FBNHRQMOUHRRCO-LBPRGKRZSA-N -1 3 367.427 2.242 20 5 FEBDHM CCc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000175310556 327386098 /nfs/dbraw/zinc/38/60/98/327386098.db2.gz QZPPRNIMUCZRDR-UHFFFAOYSA-N -1 3 357.366 2.023 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000177732290 327541243 /nfs/dbraw/zinc/54/12/43/327541243.db2.gz QFDWJCYLSGEWNF-OAHLLOKOSA-N -1 3 364.423 2.348 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000267637975 329345656 /nfs/dbraw/zinc/34/56/56/329345656.db2.gz IWQFUNKRGYDJQZ-SNVBAGLBSA-N -1 3 358.807 2.120 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1 ZINC000273541172 329873144 /nfs/dbraw/zinc/87/31/44/329873144.db2.gz DZEGXEQGWWXGPZ-CQSZACIVSA-N -1 3 370.427 2.090 20 5 FEBDHM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C1)CCCC2 ZINC000275358037 330039356 /nfs/dbraw/zinc/03/93/56/330039356.db2.gz UZOYEWKQCCCFHR-GFCCVEGCSA-N -1 3 371.397 2.166 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2ncc(CC(=O)OCC)s2)c1[N+](=O)[O-] ZINC000297123732 330193874 /nfs/dbraw/zinc/19/38/74/330193874.db2.gz KCEWFKUGGKGEOH-UHFFFAOYSA-N -1 3 367.387 2.085 20 5 FEBDHM O=c1[n-]c(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)nc2c3ccccc3oc21 ZINC000158585571 545874587 /nfs/dbraw/zinc/87/45/87/545874587.db2.gz PEZUPLLXEQPXMB-UHFFFAOYSA-N -1 3 372.724 2.441 20 5 FEBDHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479953718 561200225 /nfs/dbraw/zinc/20/02/25/561200225.db2.gz YHRPUGJWURMRSE-UHFFFAOYSA-N -1 3 359.791 2.374 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCCC1 ZINC000480763360 561216232 /nfs/dbraw/zinc/21/62/32/561216232.db2.gz WRYCNPQVPODGRV-UHFFFAOYSA-N -1 3 359.423 2.134 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481932436 561245737 /nfs/dbraw/zinc/24/57/37/561245737.db2.gz MQAFKMJVEKVTQP-UHFFFAOYSA-N -1 3 363.683 2.244 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481932436 561245738 /nfs/dbraw/zinc/24/57/38/561245738.db2.gz MQAFKMJVEKVTQP-UHFFFAOYSA-N -1 3 363.683 2.244 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481932436 561245739 /nfs/dbraw/zinc/24/57/39/561245739.db2.gz MQAFKMJVEKVTQP-UHFFFAOYSA-N -1 3 363.683 2.244 20 5 FEBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000183295871 547635184 /nfs/dbraw/zinc/63/51/84/547635184.db2.gz KVCOKEAHOCHMPV-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000184569985 547848392 /nfs/dbraw/zinc/84/83/92/547848392.db2.gz VIUWIUDSDGIOGL-INIZCTEOSA-N -1 3 368.411 2.132 20 5 FEBDHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246319707 549105020 /nfs/dbraw/zinc/10/50/20/549105020.db2.gz DCCYEMWOPQTDII-UTUOFQBUSA-N -1 3 361.489 2.301 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000490530486 561434540 /nfs/dbraw/zinc/43/45/40/561434540.db2.gz DMQAOMXLUAQUSO-UHFFFAOYSA-N -1 3 364.445 2.365 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCOCCC(C)C)cc1[N+](=O)[O-] ZINC000490770283 561438309 /nfs/dbraw/zinc/43/83/09/561438309.db2.gz MXNJHHVAKRPVED-UHFFFAOYSA-N -1 3 364.395 2.084 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000491612779 561447176 /nfs/dbraw/zinc/44/71/76/561447176.db2.gz LRJXUTMBPCKMNV-JTQLQIEISA-N -1 3 369.374 2.047 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000269775530 550224429 /nfs/dbraw/zinc/22/44/29/550224429.db2.gz BSZXTBOOWYDOHG-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CN(C(C)C)CC3)c1[N+](=O)[O-] ZINC000273529470 550501877 /nfs/dbraw/zinc/50/18/77/550501877.db2.gz RNNRILRRESGJRT-UHFFFAOYSA-N -1 3 364.431 2.356 20 5 FEBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000276799515 550597125 /nfs/dbraw/zinc/59/71/25/550597125.db2.gz GEKUFWOYVOMYBF-UWVGGRQHSA-N -1 3 353.404 2.266 20 5 FEBDHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000276799515 550597126 /nfs/dbraw/zinc/59/71/26/550597126.db2.gz GEKUFWOYVOMYBF-UWVGGRQHSA-N -1 3 353.404 2.266 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)c1[N+](=O)[O-] ZINC000285403195 551750847 /nfs/dbraw/zinc/75/08/47/551750847.db2.gz UIIXHIDISQSGFQ-LBPRGKRZSA-N -1 3 367.431 2.016 20 5 FEBDHM C[C@@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)NC(=O)[N-]C1=O ZINC000286225350 551863240 /nfs/dbraw/zinc/86/32/40/551863240.db2.gz CIEKDOODYSITOD-VOJFVSQTSA-N -1 3 369.381 2.100 20 5 FEBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000289553396 552339763 /nfs/dbraw/zinc/33/97/63/552339763.db2.gz NECGUDPYGNGTJF-HTQZYQBOSA-N -1 3 367.221 2.059 20 5 FEBDHM COC(=O)c1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000501277558 561593922 /nfs/dbraw/zinc/59/39/22/561593922.db2.gz PFFPNAWYNOXAQC-UHFFFAOYSA-N -1 3 368.252 2.025 20 5 FEBDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000294570539 552916637 /nfs/dbraw/zinc/91/66/37/552916637.db2.gz OBFOTHLYSMKJSY-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295246389 552975311 /nfs/dbraw/zinc/97/53/11/552975311.db2.gz JZYMIYLEXQEELE-NSHDSACASA-N -1 3 368.333 2.459 20 5 FEBDHM CCc1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1[O-] ZINC000296955469 553234688 /nfs/dbraw/zinc/23/46/88/553234688.db2.gz NKMSJJYGVSMOQQ-UHFFFAOYSA-N -1 3 356.382 2.220 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301731174 553675564 /nfs/dbraw/zinc/67/55/64/553675564.db2.gz DTTOCQUQQKDFKD-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000322117032 553767715 /nfs/dbraw/zinc/76/77/15/553767715.db2.gz HDFCBQIYENFSFE-UHFFFAOYSA-N -1 3 362.835 2.469 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000326122664 553779106 /nfs/dbraw/zinc/77/91/06/553779106.db2.gz GFFVMTKHKMNUEE-GHMZBOCLSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000326868194 553784024 /nfs/dbraw/zinc/78/40/24/553784024.db2.gz WSSQSNRXKVZIHP-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000326883942 553784041 /nfs/dbraw/zinc/78/40/41/553784041.db2.gz BFEPWDHBVCBJPH-UHIISALHSA-N -1 3 370.427 2.484 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2cc(N)ccc21 ZINC000327199696 553786538 /nfs/dbraw/zinc/78/65/38/553786538.db2.gz MFYORTRXJXHLFY-CQSZACIVSA-N -1 3 363.395 2.151 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000327846301 553791794 /nfs/dbraw/zinc/79/17/94/553791794.db2.gz YDKFLIOVTCQCQP-VXGBXAGGSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000327846298 553791880 /nfs/dbraw/zinc/79/18/80/553791880.db2.gz YDKFLIOVTCQCQP-NEPJUHHUSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000330491449 554128315 /nfs/dbraw/zinc/12/83/15/554128315.db2.gz NSGDCNQGNMZFGM-BLLLJJGKSA-N -1 3 370.427 2.303 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)c1 ZINC000508098930 561751689 /nfs/dbraw/zinc/75/16/89/561751689.db2.gz UFXDEFZLLACAEC-GFCCVEGCSA-N -1 3 368.333 2.211 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCCCC1 ZINC000331087335 554210653 /nfs/dbraw/zinc/21/06/53/554210653.db2.gz DTHLFZMVKIITNE-UHFFFAOYSA-N -1 3 370.427 2.366 20 5 FEBDHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000509430827 561799159 /nfs/dbraw/zinc/79/91/59/561799159.db2.gz HEEDBZOZMUPWTB-UHFFFAOYSA-N -1 3 365.367 2.227 20 5 FEBDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332210109 554401904 /nfs/dbraw/zinc/40/19/04/554401904.db2.gz ZSMVKZMGMYDGFZ-WDEREUQCSA-N -1 3 356.400 2.223 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000363362280 555086132 /nfs/dbraw/zinc/08/61/32/555086132.db2.gz FZKZTSTZBXHDFL-UHFFFAOYSA-N -1 3 354.326 2.183 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000363362280 555086134 /nfs/dbraw/zinc/08/61/34/555086134.db2.gz FZKZTSTZBXHDFL-UHFFFAOYSA-N -1 3 354.326 2.183 20 5 FEBDHM Cc1cc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367393783 556037021 /nfs/dbraw/zinc/03/70/21/556037021.db2.gz GUGWXGDEDHAZMP-NSHDSACASA-N -1 3 361.358 2.488 20 5 FEBDHM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccccc2C1 ZINC000518994049 562122905 /nfs/dbraw/zinc/12/29/05/562122905.db2.gz QVXYQNOLNMJMSR-UHFFFAOYSA-N -1 3 370.409 2.262 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H](CO)c2ccccc21 ZINC000373727457 557746195 /nfs/dbraw/zinc/74/61/95/557746195.db2.gz LBVSMBMBCVXBTE-DOMZBBRYSA-N -1 3 362.407 2.402 20 5 FEBDHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373885748 557780110 /nfs/dbraw/zinc/78/01/10/557780110.db2.gz NGNRKMJHSHNTCU-AWEZNQCLSA-N -1 3 370.409 2.432 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000373894479 557781854 /nfs/dbraw/zinc/78/18/54/557781854.db2.gz SCZFALOJINYKLY-HZMBPMFUSA-N -1 3 362.411 2.180 20 5 FEBDHM Cc1cncc(-c2cc([N-]C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)no2)c1 ZINC000377605375 558376088 /nfs/dbraw/zinc/37/60/88/558376088.db2.gz FVIAWESTMYOINC-UHFFFAOYSA-N -1 3 368.305 2.934 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000523765387 562219473 /nfs/dbraw/zinc/21/94/73/562219473.db2.gz FDZABIQIDGBJFX-UHFFFAOYSA-N -1 3 364.379 2.017 20 5 FEBDHM CCN(CC)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416359084 559307394 /nfs/dbraw/zinc/30/73/94/559307394.db2.gz IDIIODLXJLZXJX-UHFFFAOYSA-N -1 3 369.365 2.234 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000416397069 559310099 /nfs/dbraw/zinc/31/00/99/559310099.db2.gz HGVSJZCXJOUQAP-KKZNHRDASA-N -1 3 366.317 2.212 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(O)CCCC1 ZINC000416400419 559310279 /nfs/dbraw/zinc/31/02/79/559310279.db2.gz HBCFTTVORAQQNL-UHFFFAOYSA-N -1 3 368.333 2.197 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000416492279 559317260 /nfs/dbraw/zinc/31/72/60/559317260.db2.gz CLBSUIQJVCVPGO-IONNQARKSA-N -1 3 356.322 2.051 20 5 FEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000416552141 559321207 /nfs/dbraw/zinc/32/12/07/559321207.db2.gz BGCYXDAZDUZBPF-OLZOCXBDSA-N -1 3 360.819 2.484 20 5 FEBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416575599 559322815 /nfs/dbraw/zinc/32/28/15/559322815.db2.gz CNBDEANZSJCLMZ-SJORKVTESA-N -1 3 362.407 2.327 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000416592439 559323812 /nfs/dbraw/zinc/32/38/12/559323812.db2.gz KZGFEQWNMRMMPF-ZUZCIYMTSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@](C)(OC)C1CC1 ZINC000416607010 559324768 /nfs/dbraw/zinc/32/47/68/559324768.db2.gz YDUFQJUPBIJWPS-BONVTDFDSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000427117670 559748338 /nfs/dbraw/zinc/74/83/38/559748338.db2.gz OEBDOCXUQMWNMU-UHFFFAOYSA-N -1 3 361.379 2.433 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c(Cl)c1 ZINC000428414623 559775077 /nfs/dbraw/zinc/77/50/77/559775077.db2.gz VQCACKNDVXOIJZ-SNVBAGLBSA-N -1 3 368.798 2.400 20 5 FEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OCC ZINC000433475368 559882810 /nfs/dbraw/zinc/88/28/10/559882810.db2.gz RAKWDHFAZQRMFH-ZDUSSCGKSA-N -1 3 372.443 2.469 20 5 FEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000435649563 559927283 /nfs/dbraw/zinc/92/72/83/559927283.db2.gz XCOANCRIAOREQL-UHFFFAOYSA-N -1 3 351.384 2.039 20 5 FEBDHM COc1cccc(C(=O)[N-]c2nc(C)nn2-c2ccccc2)c1[N+](=O)[O-] ZINC000435815149 559930674 /nfs/dbraw/zinc/93/06/74/559930674.db2.gz CUGAHNKDTRKFLY-UHFFFAOYSA-N -1 3 353.338 2.167 20 5 FEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436715617 559949751 /nfs/dbraw/zinc/94/97/51/559949751.db2.gz PPLTXJFVDHAVQQ-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM COC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1[O-] ZINC000436805310 559952596 /nfs/dbraw/zinc/95/25/96/559952596.db2.gz ROFKDMMTOIKSDU-UHFFFAOYSA-N -1 3 374.305 2.111 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000443277260 560077336 /nfs/dbraw/zinc/07/73/36/560077336.db2.gz VLZUSDVNJQPSOH-AWEZNQCLSA-N -1 3 372.349 2.026 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)cc1C ZINC000443279878 560077507 /nfs/dbraw/zinc/07/75/07/560077507.db2.gz GYYAOQYKQKTRLX-CQSZACIVSA-N -1 3 368.386 2.363 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c1C ZINC000443290806 560078190 /nfs/dbraw/zinc/07/81/90/560078190.db2.gz ZDQJBDDSZJGYDM-CQSZACIVSA-N -1 3 368.386 2.363 20 5 FEBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443324373 560079818 /nfs/dbraw/zinc/07/98/18/560079818.db2.gz XUAOEQKJPBGVNC-MWLCHTKSSA-N -1 3 350.824 2.324 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1cccc(O)c1 ZINC000443386367 560082643 /nfs/dbraw/zinc/08/26/43/560082643.db2.gz MZHROJOOJRDPCO-NSHDSACASA-N -1 3 366.395 2.219 20 5 FEBDHM COc1nnc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[n-]1 ZINC000444288813 560108367 /nfs/dbraw/zinc/10/83/67/560108367.db2.gz MIEDJEXSZCHMLS-UHFFFAOYSA-N -1 3 353.313 2.199 20 5 FEBDHM COc1nc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[n-]1 ZINC000444288813 560108368 /nfs/dbraw/zinc/10/83/68/560108368.db2.gz MIEDJEXSZCHMLS-UHFFFAOYSA-N -1 3 353.313 2.199 20 5 FEBDHM COc1n[n-]c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n1 ZINC000444288813 560108369 /nfs/dbraw/zinc/10/83/69/560108369.db2.gz MIEDJEXSZCHMLS-UHFFFAOYSA-N -1 3 353.313 2.199 20 5 FEBDHM O=C(Cc1cn2ccsc2n1)NCc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000444643904 560117510 /nfs/dbraw/zinc/11/75/10/560117510.db2.gz LKFPJPFCDQZPIF-UHFFFAOYSA-N -1 3 356.367 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccoc2)c(Br)c1 ZINC000447036071 560155397 /nfs/dbraw/zinc/15/53/97/560155397.db2.gz CPEGORMNGQWPRZ-UHFFFAOYSA-N -1 3 361.173 2.429 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nn(C)cc2Cl)cc1C ZINC000451805133 560329731 /nfs/dbraw/zinc/32/97/31/560329731.db2.gz BVSBJJGKMRGTSA-UHFFFAOYSA-N -1 3 358.807 2.077 20 5 FEBDHM CC1(C)CCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452083888 560350214 /nfs/dbraw/zinc/35/02/14/560350214.db2.gz HNHZMZLXVAAHQZ-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2cc(F)c(OC)c(F)c2OC)c1[N+](=O)[O-] ZINC000456264667 560513747 /nfs/dbraw/zinc/51/37/47/560513747.db2.gz VRHPWDZSBMEHHW-UHFFFAOYSA-N -1 3 356.285 2.428 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463850370 560826555 /nfs/dbraw/zinc/82/65/55/560826555.db2.gz WSCUKOZOFRVMOM-LSDHHAIUSA-N -1 3 372.443 2.474 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463850368 560826701 /nfs/dbraw/zinc/82/67/01/560826701.db2.gz WSCUKOZOFRVMOM-GJZGRUSLSA-N -1 3 372.443 2.474 20 5 FEBDHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000464194427 560835328 /nfs/dbraw/zinc/83/53/28/560835328.db2.gz SNCQKKLNRRJSSI-UHFFFAOYSA-N -1 3 364.379 2.073 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)cc1 ZINC000466518858 560888576 /nfs/dbraw/zinc/88/85/76/560888576.db2.gz NLTKMPUSOYXFLF-AWEZNQCLSA-N -1 3 352.343 2.287 20 5 FEBDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000466922580 560899224 /nfs/dbraw/zinc/89/92/24/560899224.db2.gz ALNISSYTTNLLBO-UHFFFAOYSA-N -1 3 362.379 2.134 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000467256319 560907255 /nfs/dbraw/zinc/90/72/55/560907255.db2.gz QYXCLNJERHKULQ-UHFFFAOYSA-N -1 3 360.388 2.461 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000467425579 560909866 /nfs/dbraw/zinc/90/98/66/560909866.db2.gz PMUZLCUABCSRND-UHFFFAOYSA-N -1 3 366.424 2.293 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)o1 ZINC000468771560 560938271 /nfs/dbraw/zinc/93/82/71/560938271.db2.gz BHNWUGQOTFNRLT-JTQLQIEISA-N -1 3 368.367 2.322 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000470241348 560977283 /nfs/dbraw/zinc/97/72/83/560977283.db2.gz IHUWOEMAOPSNBY-UHFFFAOYSA-N -1 3 363.330 2.320 20 5 FEBDHM C[C@H]1CCN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000476601080 561123990 /nfs/dbraw/zinc/12/39/90/561123990.db2.gz RPDKAXYZWHPXAF-QMMMGPOBSA-N -1 3 351.331 2.195 20 5 FEBDHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000476616715 561124409 /nfs/dbraw/zinc/12/44/09/561124409.db2.gz BLRHRHIYQVVDIQ-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532288362 562472962 /nfs/dbraw/zinc/47/29/62/562472962.db2.gz NMWJOFGSMXZMIA-UHFFFAOYSA-N -1 3 366.333 2.069 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000533149420 562499812 /nfs/dbraw/zinc/49/98/12/562499812.db2.gz TYNUQLPYDJKAAQ-NILFDRSVSA-N -1 3 352.412 2.139 20 5 FEBDHM Cc1ccccc1O[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822366601 599066077 /nfs/dbraw/zinc/06/60/77/599066077.db2.gz OTRKEQIMFHRFKQ-NSHDSACASA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1ccccc1O[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822366601 599066079 /nfs/dbraw/zinc/06/60/79/599066079.db2.gz OTRKEQIMFHRFKQ-NSHDSACASA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1cccc2oc(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)nc21 ZINC000822340920 599111346 /nfs/dbraw/zinc/11/13/46/599111346.db2.gz NJGSWDFFRJOSLB-UHFFFAOYSA-N -1 3 366.341 2.274 20 5 FEBDHM Cc1cccc2oc(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)nc21 ZINC000822340920 599111347 /nfs/dbraw/zinc/11/13/47/599111347.db2.gz NJGSWDFFRJOSLB-UHFFFAOYSA-N -1 3 366.341 2.274 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738369831 599172531 /nfs/dbraw/zinc/17/25/31/599172531.db2.gz PTAORJIDOKPHSW-PELKAZGASA-N -1 3 359.296 2.416 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738369831 599172532 /nfs/dbraw/zinc/17/25/32/599172532.db2.gz PTAORJIDOKPHSW-PELKAZGASA-N -1 3 359.296 2.416 20 5 FEBDHM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821611254 607348108 /nfs/dbraw/zinc/34/81/08/607348108.db2.gz XYMGOOPCEXHGDG-AREMUKBSSA-N -1 3 372.410 2.149 20 5 FEBDHM Cc1ccccc1OCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737431943 598243393 /nfs/dbraw/zinc/24/33/93/598243393.db2.gz NFWXYPLKCXMJEN-UHFFFAOYSA-N -1 3 355.358 2.359 20 5 FEBDHM Cc1ccccc1OCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737431943 598243394 /nfs/dbraw/zinc/24/33/94/598243394.db2.gz NFWXYPLKCXMJEN-UHFFFAOYSA-N -1 3 355.358 2.359 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737040244 598289476 /nfs/dbraw/zinc/28/94/76/598289476.db2.gz GUZAWQBLSNJGQP-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737040244 598289477 /nfs/dbraw/zinc/28/94/77/598289477.db2.gz GUZAWQBLSNJGQP-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823443907 607356200 /nfs/dbraw/zinc/35/62/00/607356200.db2.gz GNFFSKLAJRWFNZ-UHFFFAOYSA-N -1 3 365.227 2.411 20 5 FEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823443907 607356202 /nfs/dbraw/zinc/35/62/02/607356202.db2.gz GNFFSKLAJRWFNZ-UHFFFAOYSA-N -1 3 365.227 2.411 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370210 598427911 /nfs/dbraw/zinc/42/79/11/598427911.db2.gz RNECBLQPVQKENH-SNVBAGLBSA-N -1 3 355.333 2.303 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370210 598427913 /nfs/dbraw/zinc/42/79/13/598427913.db2.gz RNECBLQPVQKENH-SNVBAGLBSA-N -1 3 355.333 2.303 20 5 FEBDHM CC(C)(C)OC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735623654 598456862 /nfs/dbraw/zinc/45/68/62/598456862.db2.gz KDPANEKQMWYKTD-UHFFFAOYSA-N -1 3 374.401 2.333 20 5 FEBDHM CC(C)(C)OC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735623654 598456863 /nfs/dbraw/zinc/45/68/63/598456863.db2.gz KDPANEKQMWYKTD-UHFFFAOYSA-N -1 3 374.401 2.333 20 5 FEBDHM CN1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000736868599 598522615 /nfs/dbraw/zinc/52/26/15/598522615.db2.gz UZZSBJZGWSQCHR-UHFFFAOYSA-N -1 3 351.370 2.231 20 5 FEBDHM CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000736868599 598522616 /nfs/dbraw/zinc/52/26/16/598522616.db2.gz UZZSBJZGWSQCHR-UHFFFAOYSA-N -1 3 351.370 2.231 20 5 FEBDHM COc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737082241 598583014 /nfs/dbraw/zinc/58/30/14/598583014.db2.gz GGOKXVWUWVPYIB-UHFFFAOYSA-N -1 3 372.316 2.104 20 5 FEBDHM COc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737082241 598583015 /nfs/dbraw/zinc/58/30/15/598583015.db2.gz GGOKXVWUWVPYIB-UHFFFAOYSA-N -1 3 372.316 2.104 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737282969 598603528 /nfs/dbraw/zinc/60/35/28/598603528.db2.gz MHYNBNQVEZCAPF-UHFFFAOYSA-N -1 3 371.332 2.273 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737282969 598603529 /nfs/dbraw/zinc/60/35/29/598603529.db2.gz MHYNBNQVEZCAPF-UHFFFAOYSA-N -1 3 371.332 2.273 20 5 FEBDHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735597841 599304908 /nfs/dbraw/zinc/30/49/08/599304908.db2.gz SPGKJMXUVPNPBH-MFKMUULPSA-N -1 3 361.406 2.423 20 5 FEBDHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735597841 599304910 /nfs/dbraw/zinc/30/49/10/599304910.db2.gz SPGKJMXUVPNPBH-MFKMUULPSA-N -1 3 361.406 2.423 20 5 FEBDHM C[C@@H]1Oc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2NC1=O ZINC000820821003 599369305 /nfs/dbraw/zinc/36/93/05/599369305.db2.gz QVQNYJRCHIUION-QMMMGPOBSA-N -1 3 367.325 2.238 20 5 FEBDHM C[C@@H]1Oc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2NC1=O ZINC000820821003 599369307 /nfs/dbraw/zinc/36/93/07/599369307.db2.gz QVQNYJRCHIUION-QMMMGPOBSA-N -1 3 367.325 2.238 20 5 FEBDHM CN(C[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596198 599490340 /nfs/dbraw/zinc/49/03/40/599490340.db2.gz CFPUPXUXBZUGGN-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM CN(C[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596198 599490342 /nfs/dbraw/zinc/49/03/42/599490342.db2.gz CFPUPXUXBZUGGN-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM O=[N+]([O-])c1ccc(CCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000823635472 599491983 /nfs/dbraw/zinc/49/19/83/599491983.db2.gz XLKJFEOWJVWCTL-UHFFFAOYSA-N -1 3 361.365 2.400 20 5 FEBDHM O=[N+]([O-])c1ccc(CCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000823635472 599491985 /nfs/dbraw/zinc/49/19/85/599491985.db2.gz XLKJFEOWJVWCTL-UHFFFAOYSA-N -1 3 361.365 2.400 20 5 FEBDHM CNc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821637836 599505512 /nfs/dbraw/zinc/50/55/12/599505512.db2.gz VVLLYTKFLUVLEO-JTQLQIEISA-N -1 3 367.369 2.308 20 5 FEBDHM CNc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821637836 599505514 /nfs/dbraw/zinc/50/55/14/599505514.db2.gz VVLLYTKFLUVLEO-JTQLQIEISA-N -1 3 367.369 2.308 20 5 FEBDHM COC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821684206 599555285 /nfs/dbraw/zinc/55/52/85/599555285.db2.gz VCTDDUTVLSPYOL-NSHDSACASA-N -1 3 369.385 2.186 20 5 FEBDHM COC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821684206 599555286 /nfs/dbraw/zinc/55/52/86/599555286.db2.gz VCTDDUTVLSPYOL-NSHDSACASA-N -1 3 369.385 2.186 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000826427855 607447285 /nfs/dbraw/zinc/44/72/85/607447285.db2.gz DMMZROZIQDOMSQ-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000826427855 607447286 /nfs/dbraw/zinc/44/72/86/607447286.db2.gz DMMZROZIQDOMSQ-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000739519319 600564682 /nfs/dbraw/zinc/56/46/82/600564682.db2.gz YJPWFGGEMMFNIS-XJKSGUPXSA-N -1 3 360.345 2.441 20 5 FEBDHM COc1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826211437 607541200 /nfs/dbraw/zinc/54/12/00/607541200.db2.gz CUFKVELCLSMZDB-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826211437 607541201 /nfs/dbraw/zinc/54/12/01/607541201.db2.gz CUFKVELCLSMZDB-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM O=C([O-])N1CCN(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000740527441 602649657 /nfs/dbraw/zinc/64/96/57/602649657.db2.gz VADVMCUOASDLCN-UHFFFAOYSA-N -1 3 374.397 2.240 20 5 FEBDHM Cn1cncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809850802 674516716 /nfs/dbraw/zinc/51/67/16/674516716.db2.gz HXXQBGFHEBSUJU-UHFFFAOYSA-N -1 3 365.198 2.114 20 5 FEBDHM CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccnc1 ZINC000820020866 606229353 /nfs/dbraw/zinc/22/93/53/606229353.db2.gz LMCSHSWJBHDPLF-AWEZNQCLSA-N -1 3 354.374 2.417 20 5 FEBDHM CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccnc1 ZINC000820020866 606229354 /nfs/dbraw/zinc/22/93/54/606229354.db2.gz LMCSHSWJBHDPLF-AWEZNQCLSA-N -1 3 354.374 2.417 20 5 FEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000821123701 606280082 /nfs/dbraw/zinc/28/00/82/606280082.db2.gz WBUNQWZPHAMLNE-UHFFFAOYSA-N -1 3 370.373 2.188 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640151 606428331 /nfs/dbraw/zinc/42/83/31/606428331.db2.gz VKIGWMLRRRLTKV-HNNXBMFYSA-N -1 3 366.381 2.223 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640151 606428333 /nfs/dbraw/zinc/42/83/33/606428333.db2.gz VKIGWMLRRRLTKV-HNNXBMFYSA-N -1 3 366.381 2.223 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822983516 606749878 /nfs/dbraw/zinc/74/98/78/606749878.db2.gz PGVQKIQXVCNDNH-UHFFFAOYSA-N -1 3 353.338 2.451 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822983516 606749879 /nfs/dbraw/zinc/74/98/79/606749879.db2.gz PGVQKIQXVCNDNH-UHFFFAOYSA-N -1 3 353.338 2.451 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)cn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645931 606882567 /nfs/dbraw/zinc/88/25/67/606882567.db2.gz WQEDVIXOWGHQLJ-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)cn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645931 606882568 /nfs/dbraw/zinc/88/25/68/606882568.db2.gz WQEDVIXOWGHQLJ-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823409348 606892799 /nfs/dbraw/zinc/89/27/99/606892799.db2.gz FJEYHUQAGUDSLY-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822184347 606998554 /nfs/dbraw/zinc/99/85/54/606998554.db2.gz SNPULUSHEHQUEA-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822184347 606998555 /nfs/dbraw/zinc/99/85/55/606998555.db2.gz SNPULUSHEHQUEA-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820234354 607041198 /nfs/dbraw/zinc/04/11/98/607041198.db2.gz OCTGPZLWFHAQJL-OTYXRUKQSA-N -1 3 373.348 2.233 20 5 FEBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820234354 607041199 /nfs/dbraw/zinc/04/11/99/607041199.db2.gz OCTGPZLWFHAQJL-OTYXRUKQSA-N -1 3 373.348 2.233 20 5 FEBDHM CCn1cc(C2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)cn1 ZINC000825800017 607841138 /nfs/dbraw/zinc/84/11/38/607841138.db2.gz ZKZITYALBMZNPP-UHFFFAOYSA-N -1 3 368.401 2.375 20 5 FEBDHM O=[N+]([O-])c1cc(N2CC[C@H](CNc3ccccn3)C2)ccc1-c1nnn[n-]1 ZINC000826498495 607841500 /nfs/dbraw/zinc/84/15/00/607841500.db2.gz XHGCKCWFECBYRB-GFCCVEGCSA-N -1 3 366.385 2.108 20 5 FEBDHM O=[N+]([O-])c1cc(N2CC[C@H](CNc3ccccn3)C2)ccc1-c1nn[n-]n1 ZINC000826498495 607841501 /nfs/dbraw/zinc/84/15/01/607841501.db2.gz XHGCKCWFECBYRB-GFCCVEGCSA-N -1 3 366.385 2.108 20 5 FEBDHM Cc1cc(F)ccc1[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826268764 607873101 /nfs/dbraw/zinc/87/31/01/607873101.db2.gz MLWYVPOFWOXANC-AWEZNQCLSA-N -1 3 359.317 2.335 20 5 FEBDHM Cc1cc(F)ccc1[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826268764 607873102 /nfs/dbraw/zinc/87/31/02/607873102.db2.gz MLWYVPOFWOXANC-AWEZNQCLSA-N -1 3 359.317 2.335 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498170 607936957 /nfs/dbraw/zinc/93/69/57/607936957.db2.gz JSYAKQIDXDWOHP-CJNGLKHVSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498170 607936958 /nfs/dbraw/zinc/93/69/58/607936958.db2.gz JSYAKQIDXDWOHP-CJNGLKHVSA-N -1 3 370.344 2.226 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826293214 607946266 /nfs/dbraw/zinc/94/62/66/607946266.db2.gz GCELDQDDSFNWKB-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826293214 607946267 /nfs/dbraw/zinc/94/62/67/607946267.db2.gz GCELDQDDSFNWKB-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM CC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nc1C ZINC000824024555 608076672 /nfs/dbraw/zinc/07/66/72/608076672.db2.gz JRIFUBGCXNAKNH-UHFFFAOYSA-N -1 3 353.342 2.293 20 5 FEBDHM CC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nc1C ZINC000824024555 608076673 /nfs/dbraw/zinc/07/66/73/608076673.db2.gz JRIFUBGCXNAKNH-UHFFFAOYSA-N -1 3 353.342 2.293 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CCSC1 ZINC000826450912 608162528 /nfs/dbraw/zinc/16/25/28/608162528.db2.gz ISCJQXOYQZGKPQ-LURJTMIESA-N -1 3 354.779 2.120 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CCSC1 ZINC000826450912 608162529 /nfs/dbraw/zinc/16/25/29/608162529.db2.gz ISCJQXOYQZGKPQ-LURJTMIESA-N -1 3 354.779 2.120 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000826171988 608343912 /nfs/dbraw/zinc/34/39/12/608343912.db2.gz IASMOOBNGPFFPZ-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000826171988 608343914 /nfs/dbraw/zinc/34/39/14/608343914.db2.gz IASMOOBNGPFFPZ-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3cccc(-c4nnn[n-]4)c3F)n2)cc1 ZINC000826498124 608672942 /nfs/dbraw/zinc/67/29/42/608672942.db2.gz IEJMMCIGIANZJO-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3cccc(-c4nn[n-]n4)c3F)n2)cc1 ZINC000826498124 608672945 /nfs/dbraw/zinc/67/29/45/608672945.db2.gz IEJMMCIGIANZJO-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccnc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826500760 608866767 /nfs/dbraw/zinc/86/67/67/608866767.db2.gz LHYOUNAJUHNZDQ-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM O=[N+]([O-])c1cccnc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826500760 608866770 /nfs/dbraw/zinc/86/67/70/608866770.db2.gz LHYOUNAJUHNZDQ-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000815009395 674895256 /nfs/dbraw/zinc/89/52/56/674895256.db2.gz ISVJOSFOIBWTQH-QMMMGPOBSA-N -1 3 365.814 2.148 20 5 FEBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047313 674907398 /nfs/dbraw/zinc/90/73/98/674907398.db2.gz NISBNSMWMMSAKZ-SECBINFHSA-N -1 3 367.830 2.394 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cccc(F)c2)c(Cl)c1 ZINC000160055301 672288434 /nfs/dbraw/zinc/28/84/34/672288434.db2.gz JZMIRVUQCFQINP-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(CO)CC=CC1 ZINC000592099095 672755410 /nfs/dbraw/zinc/75/54/10/672755410.db2.gz QZRWMNZHZIMWBW-HNNXBMFYSA-N -1 3 372.418 2.366 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194332182 672756491 /nfs/dbraw/zinc/75/64/91/672756491.db2.gz IMIBTKAVHUWETD-CQSZACIVSA-N -1 3 367.402 2.315 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCCC1 ZINC000194343772 672757071 /nfs/dbraw/zinc/75/70/71/672757071.db2.gz UYXLSUCTYBMVMD-UHFFFAOYSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545039 672939189 /nfs/dbraw/zinc/93/91/89/672939189.db2.gz SMXRSIXXFCVVDB-UHFFFAOYSA-N -1 3 351.384 2.046 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1F ZINC000593562349 672943699 /nfs/dbraw/zinc/94/36/99/672943699.db2.gz TXJNQROLPFIRLY-LBPRGKRZSA-N -1 3 369.374 2.265 20 5 FEBDHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604692 672956007 /nfs/dbraw/zinc/95/60/07/672956007.db2.gz AXIAPMHTKWGHOP-GFCCVEGCSA-N -1 3 350.400 2.075 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(F)c1 ZINC000595379717 673238010 /nfs/dbraw/zinc/23/80/10/673238010.db2.gz GOBJBQKPOQBQLX-APHBMKBZSA-N -1 3 366.345 2.490 20 5 FEBDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000538285947 673431493 /nfs/dbraw/zinc/43/14/93/673431493.db2.gz BCZSHDUODBDSRM-IAQYHMDHSA-N -1 3 374.390 2.134 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000734848219 673474433 /nfs/dbraw/zinc/47/44/33/673474433.db2.gz KYOQOIAHBKEVGS-AWEZNQCLSA-N -1 3 366.374 2.188 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)c(F)c1 ZINC000599464783 673678958 /nfs/dbraw/zinc/67/89/58/673678958.db2.gz SUORCOXWGBMFAC-ZDUSSCGKSA-N -1 3 357.407 2.029 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c([N+](=O)[O-])s1 ZINC000601374029 673850814 /nfs/dbraw/zinc/85/08/14/673850814.db2.gz LPBGVPPPCRRITK-UHFFFAOYSA-N -1 3 354.409 2.473 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)c(F)cc1[N+](=O)[O-] ZINC000820791728 675388361 /nfs/dbraw/zinc/38/83/61/675388361.db2.gz BTDRSBWCJKJABH-AWEZNQCLSA-N -1 3 372.349 2.193 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)c(F)c1 ZINC000751436628 680175128 /nfs/dbraw/zinc/17/51/28/680175128.db2.gz NIEGNVAVDWUNQI-NSHDSACASA-N -1 3 360.388 2.197 20 5 FEBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000849370590 681697933 /nfs/dbraw/zinc/69/79/33/681697933.db2.gz HQTDEUNYLOWHMM-OAHLLOKOSA-N -1 3 370.475 2.025 20 5 FEBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000852756449 682336102 /nfs/dbraw/zinc/33/61/02/682336102.db2.gz JEPRTDLOYKWEJT-SKDRFNHKSA-N -1 3 361.320 2.189 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ncccc1[O-] ZINC000795207025 683028796 /nfs/dbraw/zinc/02/87/96/683028796.db2.gz VALLBEPMVYYJRT-UHFFFAOYSA-N -1 3 359.310 2.304 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000921852338 683592579 /nfs/dbraw/zinc/59/25/79/683592579.db2.gz YHKNAGXGAMUOHJ-WCQYABFASA-N -1 3 360.457 2.448 20 5 FEBDHM CCC1(CC)CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC[S@@]1=O ZINC000893646593 689380940 /nfs/dbraw/zinc/38/09/40/689380940.db2.gz MONQGAMTIMYEOI-DEOSSOPVSA-N -1 3 356.444 2.432 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000014099468 539595173 /nfs/dbraw/zinc/59/51/73/539595173.db2.gz RNQPTHKHKXVJHA-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000030661756 539888449 /nfs/dbraw/zinc/88/84/49/539888449.db2.gz INKSXFOGCDHILN-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000032433439 539938544 /nfs/dbraw/zinc/93/85/44/539938544.db2.gz IWHKXBAVIURYCS-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM CCC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000042219481 540055709 /nfs/dbraw/zinc/05/57/09/540055709.db2.gz FLIDESXIISSSOU-ZDUSSCGKSA-N -1 3 364.807 2.258 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000050016084 540397819 /nfs/dbraw/zinc/39/78/19/540397819.db2.gz DWDCXVRNPQBRJE-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000055133587 540631013 /nfs/dbraw/zinc/63/10/13/540631013.db2.gz LJDKZADGNGTWMS-UHFFFAOYSA-N -1 3 358.354 2.101 20 5 FEBDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000056088587 540701647 /nfs/dbraw/zinc/70/16/47/540701647.db2.gz XBPRMNDOTVCQFL-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1OC ZINC000066001133 541277599 /nfs/dbraw/zinc/27/75/99/541277599.db2.gz AYOARRXRWCHMOD-UHFFFAOYSA-N -1 3 358.397 2.152 20 5 FEBDHM CCOC(=O)N1CCC(OC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000066534540 541333438 /nfs/dbraw/zinc/33/34/38/541333438.db2.gz CSWQSTKMMPBLLX-UHFFFAOYSA-N -1 3 362.342 2.249 20 5 FEBDHM CCOC(=O)N1CCC(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000066534540 541333443 /nfs/dbraw/zinc/33/34/43/541333443.db2.gz CSWQSTKMMPBLLX-UHFFFAOYSA-N -1 3 362.342 2.249 20 5 FEBDHM CC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000066581225 541340591 /nfs/dbraw/zinc/34/05/91/541340591.db2.gz JPRDALYPKVSCPI-UHFFFAOYSA-N -1 3 356.400 2.225 20 5 FEBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000055620537 205222312 /nfs/dbraw/zinc/22/23/12/205222312.db2.gz IBYCPBXTXVMWRB-UHFFFAOYSA-N -1 3 369.786 2.409 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000072993690 541906109 /nfs/dbraw/zinc/90/61/09/541906109.db2.gz GHFLPGUQJLSQJO-VIFPVBQESA-N -1 3 355.372 2.248 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)N1CCCC[C@@H]1C ZINC000076191145 542241599 /nfs/dbraw/zinc/24/15/99/542241599.db2.gz OQDQQRGGBCZHIS-KBPBESRZSA-N -1 3 355.460 2.444 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000114499316 543521801 /nfs/dbraw/zinc/52/18/01/543521801.db2.gz DBBPHDMEILFYCJ-UHFFFAOYSA-N -1 3 355.372 2.193 20 5 FEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000116907564 543618914 /nfs/dbraw/zinc/61/89/14/543618914.db2.gz JNIHKUJWLGTUMX-GFCCVEGCSA-N -1 3 367.402 2.363 20 5 FEBDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121682867 543698759 /nfs/dbraw/zinc/69/87/59/543698759.db2.gz QBTOGONCUHLGTR-ZDUSSCGKSA-N -1 3 362.411 2.324 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000123976301 543794233 /nfs/dbraw/zinc/79/42/33/543794233.db2.gz ALNGBRSYUJHMTR-SECBINFHSA-N -1 3 369.424 2.270 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000124884707 543849252 /nfs/dbraw/zinc/84/92/52/543849252.db2.gz NLOYMDUBTQQNTB-NSHDSACASA-N -1 3 350.462 2.288 20 5 FEBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000125311018 543874551 /nfs/dbraw/zinc/87/45/51/543874551.db2.gz FVMOPJOTDAQQAH-NSHDSACASA-N -1 3 356.425 2.285 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)cc1C ZINC000125424700 543880429 /nfs/dbraw/zinc/88/04/29/543880429.db2.gz KJLRYZFIQHJNMB-OAHLLOKOSA-N -1 3 364.423 2.266 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1C ZINC000126218982 543924200 /nfs/dbraw/zinc/92/42/00/543924200.db2.gz MMJSVYZBSVYEHG-CHWSQXEVSA-N -1 3 353.444 2.115 20 5 FEBDHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000128652435 544065105 /nfs/dbraw/zinc/06/51/05/544065105.db2.gz ZLXAFBISMBAXMG-JTQLQIEISA-N -1 3 363.301 2.276 20 5 FEBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000150822016 544475344 /nfs/dbraw/zinc/47/53/44/544475344.db2.gz VIPRLDIEYPUAFB-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000152192368 544623964 /nfs/dbraw/zinc/62/39/64/544623964.db2.gz UFYIKCIREGAEEA-UHFFFAOYSA-N -1 3 371.440 2.198 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000186211012 327951900 /nfs/dbraw/zinc/95/19/00/327951900.db2.gz WXFWWVQKGFZNRF-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188133046 328068583 /nfs/dbraw/zinc/06/85/83/328068583.db2.gz KLWIQYKMEPXKNH-GHMZBOCLSA-N -1 3 368.333 2.051 20 5 FEBDHM O=c1[n-]nc(SCc2ccc([N+](=O)[O-])c(F)c2)n1C[C@@H]1CCCO1 ZINC000188255808 328076179 /nfs/dbraw/zinc/07/61/79/328076179.db2.gz MJHSDIDFTGNSJF-JTQLQIEISA-N -1 3 354.363 2.090 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000188343426 328081900 /nfs/dbraw/zinc/08/19/00/328081900.db2.gz RLKICSPBJUDPSM-WPRPVWTQSA-N -1 3 368.333 2.053 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000190184401 328193060 /nfs/dbraw/zinc/19/30/60/328193060.db2.gz WKADCDMXUHLJAV-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c1 ZINC000193710189 328390781 /nfs/dbraw/zinc/39/07/81/328390781.db2.gz ZGBPFRWMLXFUKE-UHFFFAOYSA-N -1 3 374.378 2.264 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000194843153 328443423 /nfs/dbraw/zinc/44/34/23/328443423.db2.gz NUJCTKUETKXEJR-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057282400 324826471 /nfs/dbraw/zinc/82/64/71/324826471.db2.gz ADLQFTZHDXRZAQ-LLVKDONJSA-N -1 3 363.395 2.457 20 5 FEBDHM O=C(NCC1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000089393397 325314844 /nfs/dbraw/zinc/31/48/44/325314844.db2.gz AJFKKRIDHBZRKY-UHFFFAOYSA-N -1 3 356.382 2.342 20 5 FEBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000090015512 325351573 /nfs/dbraw/zinc/35/15/73/325351573.db2.gz VPPIBSXRGQEPPY-NSHDSACASA-N -1 3 355.441 2.285 20 5 FEBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119209537 326137910 /nfs/dbraw/zinc/13/79/10/326137910.db2.gz ODUJJDCKFJRYIR-RNCFNFMXSA-N -1 3 350.824 2.324 20 5 FEBDHM CC1CCN(CCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000121953256 326378057 /nfs/dbraw/zinc/37/80/57/326378057.db2.gz UYZSRNXERHEGLO-UHFFFAOYSA-N -1 3 359.423 2.134 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000153177608 326726081 /nfs/dbraw/zinc/72/60/81/326726081.db2.gz NQXSXEGYRHGDNP-UHFFFAOYSA-N -1 3 358.276 2.448 20 5 FEBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000159870578 326945143 /nfs/dbraw/zinc/94/51/43/326945143.db2.gz QUPXLUMSRIOKDH-SNVBAGLBSA-N -1 3 353.400 2.418 20 5 FEBDHM O=C([N-]c1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000162469257 327026410 /nfs/dbraw/zinc/02/64/10/327026410.db2.gz HQABWAPSMAPCMP-UHFFFAOYSA-N -1 3 353.285 2.376 20 5 FEBDHM COC(=O)[C@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000171889802 327167736 /nfs/dbraw/zinc/16/77/36/327167736.db2.gz IHVYDGOMHCUKDW-ZDUSSCGKSA-N -1 3 366.333 2.388 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000173673589 327275801 /nfs/dbraw/zinc/27/58/01/327275801.db2.gz AIFPYEPREIHNCA-LLVKDONJSA-N -1 3 354.359 2.480 20 5 FEBDHM CCc1cnc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000173806779 327285373 /nfs/dbraw/zinc/28/53/73/327285373.db2.gz UFDMTGFQDKLKKL-UHFFFAOYSA-N -1 3 355.441 2.443 20 5 FEBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173980559 327299250 /nfs/dbraw/zinc/29/92/50/327299250.db2.gz RTMQWLBVZNODJK-UHFFFAOYSA-N -1 3 358.807 2.077 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000174038823 327303128 /nfs/dbraw/zinc/30/31/28/327303128.db2.gz HKMVVCZRQFSFHN-JTQLQIEISA-N -1 3 368.415 2.456 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000174038836 327303147 /nfs/dbraw/zinc/30/31/47/327303147.db2.gz HKMVVCZRQFSFHN-SNVBAGLBSA-N -1 3 368.415 2.456 20 5 FEBDHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178746624 327604254 /nfs/dbraw/zinc/60/42/54/327604254.db2.gz JNCKTZKRYSYSKB-LBPRGKRZSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000267711435 329351873 /nfs/dbraw/zinc/35/18/73/329351873.db2.gz VSANBDRZVHLSHM-UHFFFAOYSA-N -1 3 372.834 2.430 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(C)c(C(=O)OCC)s2)c1[N+](=O)[O-] ZINC000268059529 329381359 /nfs/dbraw/zinc/38/13/59/329381359.db2.gz SXQWAVBOLWMSGP-UHFFFAOYSA-N -1 3 367.387 2.464 20 5 FEBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269456950 329521928 /nfs/dbraw/zinc/52/19/28/329521928.db2.gz FXQAOMRVFFOYQE-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H]1CCO[C@@H](C)C1 ZINC000273544340 329873366 /nfs/dbraw/zinc/87/33/66/329873366.db2.gz LSPHUEZFAOHQRO-RYUDHWBXSA-N -1 3 358.416 2.087 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000273599314 329878146 /nfs/dbraw/zinc/87/81/46/329878146.db2.gz FLXQUUPNORMABU-CYBMUJFWSA-N -1 3 358.416 2.231 20 5 FEBDHM C[C@H]1CN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)CCO1 ZINC000275015332 330002053 /nfs/dbraw/zinc/00/20/53/330002053.db2.gz YDDIWSFMEFXZSC-NSHDSACASA-N -1 3 358.354 2.173 20 5 FEBDHM Cc1cc(C(=O)NCc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367180365 330226815 /nfs/dbraw/zinc/22/68/15/330226815.db2.gz KZMUFXIUMHPSGL-UHFFFAOYSA-N -1 3 371.378 2.452 20 5 FEBDHM C[C@@H]1NCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836270 330276097 /nfs/dbraw/zinc/27/60/97/330276097.db2.gz ZEVOSKOWVVCTKQ-OIBJUYFYSA-N -1 3 368.242 2.320 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155808298 545571891 /nfs/dbraw/zinc/57/18/91/545571891.db2.gz HXLNXVRETVEGPE-UGFHNGPFSA-N -1 3 352.412 2.139 20 5 FEBDHM CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000159294617 545940514 /nfs/dbraw/zinc/94/05/14/545940514.db2.gz RYRHHHYVHOQQGA-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c1[N+](=O)[O-] ZINC000480714972 561215034 /nfs/dbraw/zinc/21/50/34/561215034.db2.gz NZWDRMOYWKCFKG-UHFFFAOYSA-N -1 3 366.424 2.399 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000480731397 561215458 /nfs/dbraw/zinc/21/54/58/561215458.db2.gz QOJITXDPOCURLQ-JOYOIKCWSA-N -1 3 370.349 2.192 20 5 FEBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000481221909 561228227 /nfs/dbraw/zinc/22/82/27/561228227.db2.gz XPMICOHIKSBJKO-QWRGUYRKSA-N -1 3 356.400 2.081 20 5 FEBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)s2)cc1 ZINC000481875734 561244416 /nfs/dbraw/zinc/24/44/16/561244416.db2.gz QOPYMHAMZXGKKX-UHFFFAOYSA-N -1 3 358.383 2.331 20 5 FEBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000180261884 547075157 /nfs/dbraw/zinc/07/51/57/547075157.db2.gz BEFDKKGNECNHAZ-UHFFFAOYSA-N -1 3 374.422 2.377 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)c1C ZINC000182467976 547498899 /nfs/dbraw/zinc/49/88/99/547498899.db2.gz FYVBGOHDCRGTOP-ZDUSSCGKSA-N -1 3 356.425 2.285 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CC3CCC1CC3)OCCO2 ZINC000486688216 561354455 /nfs/dbraw/zinc/35/44/55/561354455.db2.gz MPCJGUXKRFXZRW-MCIGGMRASA-N -1 3 368.411 2.223 20 5 FEBDHM CN(C(N)=O)c1cccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000487392445 561368941 /nfs/dbraw/zinc/36/89/41/561368941.db2.gz MAFYCBYJRWQFNG-UHFFFAOYSA-N -1 3 364.383 2.052 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c([N+](=O)[O-])c1 ZINC000269754273 550222999 /nfs/dbraw/zinc/22/29/99/550222999.db2.gz ASJQKVBANTYZQN-ZDUSSCGKSA-N -1 3 364.379 2.275 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271655994 550392872 /nfs/dbraw/zinc/39/28/72/550392872.db2.gz IVUDTIXMHYAXAK-KWQFWETISA-N -1 3 374.312 2.022 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000272384830 550442860 /nfs/dbraw/zinc/44/28/60/550442860.db2.gz HGHCMQXODGZEIG-LBPRGKRZSA-N -1 3 370.383 2.253 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1 ZINC000281164467 551070008 /nfs/dbraw/zinc/07/00/08/551070008.db2.gz LWTLRIWUYRNYEM-AWEZNQCLSA-N -1 3 358.416 2.115 20 5 FEBDHM Cc1cc(OCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000497319665 561498304 /nfs/dbraw/zinc/49/83/04/561498304.db2.gz KJIJSTHYAVGGBX-UHFFFAOYSA-N -1 3 368.353 2.025 20 5 FEBDHM Cc1cc(OCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000497319665 561498305 /nfs/dbraw/zinc/49/83/05/561498305.db2.gz KJIJSTHYAVGGBX-UHFFFAOYSA-N -1 3 368.353 2.025 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cs1 ZINC000497766764 561508382 /nfs/dbraw/zinc/50/83/82/561508382.db2.gz PHDUVFZLILRGEH-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000286199816 551860139 /nfs/dbraw/zinc/86/01/39/551860139.db2.gz SDQNSDYQUMWWRL-HNNXBMFYSA-N -1 3 359.382 2.342 20 5 FEBDHM Cc1c(NC([O-])=NOCC(C)(C)O)cc(Br)cc1[N+](=O)[O-] ZINC000286821972 551929758 /nfs/dbraw/zinc/92/97/58/551929758.db2.gz ROZHCOKZCGVTDJ-UHFFFAOYSA-N -1 3 362.180 2.490 20 5 FEBDHM Cc1c(NC(=O)[N-]OCC(C)(C)O)cc(Br)cc1[N+](=O)[O-] ZINC000286821972 551929759 /nfs/dbraw/zinc/92/97/59/551929759.db2.gz ROZHCOKZCGVTDJ-UHFFFAOYSA-N -1 3 362.180 2.490 20 5 FEBDHM CCOc1cc(NC([O-])=NOCCCOC)c([N+](=O)[O-])cc1OCC ZINC000286849094 551932882 /nfs/dbraw/zinc/93/28/82/551932882.db2.gz AGSKXFPOZGTKDX-UHFFFAOYSA-N -1 3 357.363 2.482 20 5 FEBDHM CCOc1cc(NC(=O)[N-]OCCCOC)c([N+](=O)[O-])cc1OCC ZINC000286849094 551932883 /nfs/dbraw/zinc/93/28/83/551932883.db2.gz AGSKXFPOZGTKDX-UHFFFAOYSA-N -1 3 357.363 2.482 20 5 FEBDHM O=C(Nc1nc(C2CCOCC2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000288375884 552142719 /nfs/dbraw/zinc/14/27/19/552142719.db2.gz VCZFHALUKJPPQC-UHFFFAOYSA-N -1 3 350.356 2.298 20 5 FEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502139350 561612822 /nfs/dbraw/zinc/61/28/22/561612822.db2.gz MHHGDJPMSUCTJR-UHFFFAOYSA-N -1 3 372.307 2.116 20 5 FEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502139350 561612823 /nfs/dbraw/zinc/61/28/23/561612823.db2.gz MHHGDJPMSUCTJR-UHFFFAOYSA-N -1 3 372.307 2.116 20 5 FEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502139350 561612824 /nfs/dbraw/zinc/61/28/24/561612824.db2.gz MHHGDJPMSUCTJR-UHFFFAOYSA-N -1 3 372.307 2.116 20 5 FEBDHM Cc1cc([C@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])oc1C ZINC000502400894 561617689 /nfs/dbraw/zinc/61/76/89/561617689.db2.gz KIZUGFWMGMFILP-LBPRGKRZSA-N -1 3 367.427 2.434 20 5 FEBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000296228336 553126140 /nfs/dbraw/zinc/12/61/40/553126140.db2.gz OGBIQJQVBCGMBE-VIFPVBQESA-N -1 3 356.322 2.231 20 5 FEBDHM CSc1cc2c(cc1[N-]C(=O)c1c([N+](=O)[O-])c(C)nn1C)OCCO2 ZINC000505904106 561684615 /nfs/dbraw/zinc/68/46/15/561684615.db2.gz MJMWRXJMOSDXSO-UHFFFAOYSA-N -1 3 364.383 2.382 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1Cn1ccnc1 ZINC000506226088 561693471 /nfs/dbraw/zinc/69/34/71/561693471.db2.gz KNDWAVSGTGFOCL-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM CCOc1cc(C(=O)[N-]c2nnc3n2CCCC3)c([N+](=O)[O-])cc1OC ZINC000507880099 561744415 /nfs/dbraw/zinc/74/44/15/561744415.db2.gz BKWAUGFHMYOTIN-UHFFFAOYSA-N -1 3 361.358 2.182 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000330952995 554193417 /nfs/dbraw/zinc/19/34/17/554193417.db2.gz LCNUEMGQSWWUJD-QJPTWQEYSA-N -1 3 370.427 2.484 20 5 FEBDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000360675142 554884420 /nfs/dbraw/zinc/88/44/20/554884420.db2.gz VUXUUYMSOCVAFL-LLVKDONJSA-N -1 3 365.415 2.073 20 5 FEBDHM CN1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365776821 555665484 /nfs/dbraw/zinc/66/54/84/555665484.db2.gz DGCAQHISYMWSSM-ZFWWWQNUSA-N -1 3 360.345 2.010 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CO1 ZINC000514725019 561976124 /nfs/dbraw/zinc/97/61/24/561976124.db2.gz JMKMTMSFIFYPFW-IONNQARKSA-N -1 3 354.306 2.069 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000368261956 556261707 /nfs/dbraw/zinc/26/17/07/556261707.db2.gz DTSWMVWRXLLIAF-ZDUSSCGKSA-N -1 3 370.333 2.426 20 5 FEBDHM Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368997 556289774 /nfs/dbraw/zinc/28/97/74/556289774.db2.gz GJPYICXUZZMAAF-CJNGLKHVSA-N -1 3 370.409 2.397 20 5 FEBDHM O=C(Nc1cnn(-c2ncccc2F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000371146422 557089048 /nfs/dbraw/zinc/08/90/48/557089048.db2.gz PTSIQDSZWPKQDQ-UHFFFAOYSA-N -1 3 367.300 2.443 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000371736756 557279010 /nfs/dbraw/zinc/27/90/10/557279010.db2.gz YMXOOAHWLPPMBH-CYBMUJFWSA-N -1 3 366.370 2.330 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000521155071 562170595 /nfs/dbraw/zinc/17/05/95/562170595.db2.gz OOCFXUHONXQCRX-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c1[N+](=O)[O-] ZINC000375106860 557978791 /nfs/dbraw/zinc/97/87/91/557978791.db2.gz VOPZCROTAZCRLW-UHFFFAOYSA-N -1 3 364.427 2.223 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000392735564 558619251 /nfs/dbraw/zinc/61/92/51/558619251.db2.gz ZDAGZBSTMMTIFC-UHFFFAOYSA-N -1 3 358.416 2.484 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000527042798 562274508 /nfs/dbraw/zinc/27/45/08/562274508.db2.gz MKTOYJXWDRENIO-UHFFFAOYSA-N -1 3 356.400 2.096 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000416408358 559310848 /nfs/dbraw/zinc/31/08/48/559310848.db2.gz PLPPQIVPCWMHNT-RKDXNWHRSA-N -1 3 368.333 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000416451113 559313779 /nfs/dbraw/zinc/31/37/79/559313779.db2.gz AVGJIPWSWKVWHK-VIFPVBQESA-N -1 3 368.333 2.319 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000416459843 559314578 /nfs/dbraw/zinc/31/45/78/559314578.db2.gz KSBFPDJMNAUTQZ-BDAKNGLRSA-N -1 3 370.349 2.299 20 5 FEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000416570339 559322613 /nfs/dbraw/zinc/32/26/13/559322613.db2.gz ZVDAHGVFGSPDAG-QWHCGFSZSA-N -1 3 360.819 2.484 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416630564 559326280 /nfs/dbraw/zinc/32/62/80/559326280.db2.gz UJTYNRYWZARFQS-MFKMUULPSA-N -1 3 350.824 2.322 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)[C@@H]1CC1(C)C ZINC000416642815 559327104 /nfs/dbraw/zinc/32/71/04/559327104.db2.gz GBXPYTYFJPOOQO-QWHCGFSZSA-N -1 3 370.427 2.484 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)CC1CCCCC1 ZINC000416664229 559328543 /nfs/dbraw/zinc/32/85/43/559328543.db2.gz SINXRXCVMFLTBY-ZDUSSCGKSA-N -1 3 372.443 2.213 20 5 FEBDHM COC(=O)[C@@H]1CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc2C1 ZINC000421629405 559547343 /nfs/dbraw/zinc/54/73/43/559547343.db2.gz FFUZSINPQNCGHD-SSDOTTSWSA-N -1 3 351.340 2.175 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])[n-]1 ZINC000432666580 559862718 /nfs/dbraw/zinc/86/27/18/559862718.db2.gz SAXRZRXLDOIYCV-UHFFFAOYSA-N -1 3 350.356 2.144 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000433359974 559878502 /nfs/dbraw/zinc/87/85/02/559878502.db2.gz CVWVGBVSPZSBRS-UHFFFAOYSA-N -1 3 360.457 2.186 20 5 FEBDHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000435637571 559927107 /nfs/dbraw/zinc/92/71/07/559927107.db2.gz PCXYGYYXLFRMKC-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674542 559948592 /nfs/dbraw/zinc/94/85/92/559948592.db2.gz PRPPPWLRKRZCFW-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436767731 559951519 /nfs/dbraw/zinc/95/15/19/559951519.db2.gz HMDINELMHDMJOY-UHFFFAOYSA-N -1 3 362.338 2.256 20 5 FEBDHM CC(C)CN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438946303 559985990 /nfs/dbraw/zinc/98/59/90/559985990.db2.gz HLBBKMJMDNSPKY-LBPRGKRZSA-N -1 3 361.489 2.445 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000443789730 560092899 /nfs/dbraw/zinc/09/28/99/560092899.db2.gz KQODHOOQERLVRO-AWEZNQCLSA-N -1 3 372.443 2.381 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000451588604 560316213 /nfs/dbraw/zinc/31/62/13/560316213.db2.gz RJZHQNRQFGWUAF-VIFPVBQESA-N -1 3 368.367 2.322 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000451661736 560320383 /nfs/dbraw/zinc/32/03/83/560320383.db2.gz JCJAHFUXKJUWRM-CQSZACIVSA-N -1 3 368.386 2.270 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)c1C ZINC000451932660 560338774 /nfs/dbraw/zinc/33/87/74/560338774.db2.gz ASYKHYGPUQSOQA-CMPLNLGQSA-N -1 3 350.400 2.392 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000452085624 560350137 /nfs/dbraw/zinc/35/01/37/560350137.db2.gz KOEYPVQKMFOMGY-UHFFFAOYSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000467065073 560902770 /nfs/dbraw/zinc/90/27/70/560902770.db2.gz OZSRYVDVHYWHTQ-WQAKAFBOSA-N -1 3 360.457 2.447 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467395763 560909399 /nfs/dbraw/zinc/90/93/99/560909399.db2.gz VCPUFUWLELWJAD-GHMZBOCLSA-N -1 3 361.489 2.363 20 5 FEBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CN1Cc1ccccc1 ZINC000467692586 560915017 /nfs/dbraw/zinc/91/50/17/560915017.db2.gz UFVKASSTOJLVEU-TZMCWYRMSA-N -1 3 356.382 2.088 20 5 FEBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469363810 560953457 /nfs/dbraw/zinc/95/34/57/560953457.db2.gz PYNZGHJVBWYMMH-WDEREUQCSA-N -1 3 358.416 2.484 20 5 FEBDHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000470766951 560989302 /nfs/dbraw/zinc/98/93/02/560989302.db2.gz SCNPHCZOAYBMTJ-SECBINFHSA-N -1 3 364.807 2.114 20 5 FEBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(-n2cccn2)c1 ZINC000473641936 561054962 /nfs/dbraw/zinc/05/49/62/561054962.db2.gz KWSPTNNUSBWJIE-UHFFFAOYSA-N -1 3 355.310 2.142 20 5 FEBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143730 561137867 /nfs/dbraw/zinc/13/78/67/561137867.db2.gz YCPBXBRRPJOSNP-IYNGYCSASA-N -1 3 370.427 2.388 20 5 FEBDHM CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000530602885 562417352 /nfs/dbraw/zinc/41/73/52/562417352.db2.gz UIHPBVJJLFYQOL-AWEZNQCLSA-N -1 3 364.789 2.382 20 5 FEBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000546071448 562633416 /nfs/dbraw/zinc/63/34/16/562633416.db2.gz VGBXFZQBMPPPAM-JTQLQIEISA-N -1 3 371.440 2.378 20 5 FEBDHM C[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000570385287 568482325 /nfs/dbraw/zinc/48/23/25/568482325.db2.gz XQZAMPRTTGGXOG-ZDUSSCGKSA-N -1 3 371.393 2.340 20 5 FEBDHM COc1ccc(OCCSc2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC000737110657 599163684 /nfs/dbraw/zinc/16/36/84/599163684.db2.gz BTWVDWFBNFGRNR-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM COc1ccc(OCCSc2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC000737110657 599163685 /nfs/dbraw/zinc/16/36/85/599163685.db2.gz BTWVDWFBNFGRNR-UHFFFAOYSA-N -1 3 374.382 2.350 20 5 FEBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000736633562 599184359 /nfs/dbraw/zinc/18/43/59/599184359.db2.gz DBXYLOSZSBANJI-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000736633562 599184361 /nfs/dbraw/zinc/18/43/61/599184361.db2.gz DBXYLOSZSBANJI-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823223984 599242263 /nfs/dbraw/zinc/24/22/63/599242263.db2.gz NMJPTDUOSPCSFN-UHFFFAOYSA-N -1 3 353.342 2.139 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823223984 599242264 /nfs/dbraw/zinc/24/22/64/599242264.db2.gz NMJPTDUOSPCSFN-UHFFFAOYSA-N -1 3 353.342 2.139 20 5 FEBDHM Cc1ccc(OCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737364345 598245077 /nfs/dbraw/zinc/24/50/77/598245077.db2.gz AEOOGHFSYWKEOK-UHFFFAOYSA-N -1 3 355.358 2.359 20 5 FEBDHM Cc1ccc(OCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737364345 598245079 /nfs/dbraw/zinc/24/50/79/598245079.db2.gz AEOOGHFSYWKEOK-UHFFFAOYSA-N -1 3 355.358 2.359 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737284084 598289539 /nfs/dbraw/zinc/28/95/39/598289539.db2.gz YSBBAYNZWKYEOX-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737284084 598289540 /nfs/dbraw/zinc/28/95/40/598289540.db2.gz YSBBAYNZWKYEOX-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737372970 598298954 /nfs/dbraw/zinc/29/89/54/598298954.db2.gz OKOHMIOEURQZSV-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737372970 598298956 /nfs/dbraw/zinc/29/89/56/598298956.db2.gz OKOHMIOEURQZSV-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000808341372 674454389 /nfs/dbraw/zinc/45/43/89/674454389.db2.gz WFYVYOOBPGOMKB-MEBBXXQBSA-N -1 3 354.359 2.134 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733605 599305780 /nfs/dbraw/zinc/30/57/80/599305780.db2.gz WJRYFHQBSRBUNE-WCIBSUBMSA-N -1 3 350.338 2.451 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733605 599305784 /nfs/dbraw/zinc/30/57/84/599305784.db2.gz WJRYFHQBSRBUNE-WCIBSUBMSA-N -1 3 350.338 2.451 20 5 FEBDHM Cc1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000826260977 607368563 /nfs/dbraw/zinc/36/85/63/607368563.db2.gz LWYYIWQHPHDCDH-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000826260977 607368565 /nfs/dbraw/zinc/36/85/65/607368565.db2.gz LWYYIWQHPHDCDH-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM CN(CCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821604872 599361263 /nfs/dbraw/zinc/36/12/63/599361263.db2.gz LDODWCNNHFHSAQ-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM CN(CCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821604872 599361265 /nfs/dbraw/zinc/36/12/65/599361265.db2.gz LDODWCNNHFHSAQ-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]CC(F)(F)Br)c1 ZINC000808574057 674463710 /nfs/dbraw/zinc/46/37/10/674463710.db2.gz VKZAVMVETAXKJN-UHFFFAOYSA-N -1 3 373.175 2.478 20 5 FEBDHM C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327615 599523507 /nfs/dbraw/zinc/52/35/07/599523507.db2.gz HTXFJIVYYPILKF-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327615 599523509 /nfs/dbraw/zinc/52/35/09/599523509.db2.gz HTXFJIVYYPILKF-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821703075 599537052 /nfs/dbraw/zinc/53/70/52/599537052.db2.gz NOMYAQWBCNESBO-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821703075 599537054 /nfs/dbraw/zinc/53/70/54/599537054.db2.gz NOMYAQWBCNESBO-JTQLQIEISA-N -1 3 368.353 2.275 20 5 FEBDHM Cc1c(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822128275 607383886 /nfs/dbraw/zinc/38/38/86/607383886.db2.gz AIBULQGHCVDDIO-UHFFFAOYSA-N -1 3 363.341 2.408 20 5 FEBDHM Cc1cc([C@@](C)(O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)o1 ZINC000822191506 599576634 /nfs/dbraw/zinc/57/66/34/599576634.db2.gz JXBSNMGMLYELHC-INIZCTEOSA-N -1 3 358.358 2.304 20 5 FEBDHM Cc1cc([C@@](C)(O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)o1 ZINC000822191506 599576637 /nfs/dbraw/zinc/57/66/37/599576637.db2.gz JXBSNMGMLYELHC-INIZCTEOSA-N -1 3 358.358 2.304 20 5 FEBDHM CCN1CCN([C@H](C)CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829770328 602251584 /nfs/dbraw/zinc/25/15/84/602251584.db2.gz HOYFLYNIDCFEMB-LLVKDONJSA-N -1 3 370.837 2.384 20 5 FEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203941 607560266 /nfs/dbraw/zinc/56/02/66/607560266.db2.gz NJYXWSFEAXIRLO-UHFFFAOYSA-N -1 3 371.313 2.304 20 5 FEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203941 607560268 /nfs/dbraw/zinc/56/02/68/607560268.db2.gz NJYXWSFEAXIRLO-UHFFFAOYSA-N -1 3 371.313 2.304 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000820457161 606136382 /nfs/dbraw/zinc/13/63/82/606136382.db2.gz YHBLATCZZMIHRF-JTQLQIEISA-N -1 3 369.389 2.266 20 5 FEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000820457161 606136384 /nfs/dbraw/zinc/13/63/84/606136384.db2.gz YHBLATCZZMIHRF-JTQLQIEISA-N -1 3 369.389 2.266 20 5 FEBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496713 606343996 /nfs/dbraw/zinc/34/39/96/606343996.db2.gz OPRBISVKISKBMH-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496713 606343997 /nfs/dbraw/zinc/34/39/97/606343997.db2.gz OPRBISVKISKBMH-LLVKDONJSA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1cccc(F)c1 ZINC000820462296 606425404 /nfs/dbraw/zinc/42/54/04/606425404.db2.gz XAXJPVUUPKNRLX-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1cccc(F)c1 ZINC000820462296 606425406 /nfs/dbraw/zinc/42/54/06/606425406.db2.gz XAXJPVUUPKNRLX-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM O=[N+]([O-])c1cc(NC[C@@H]2COc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC000823635104 606644486 /nfs/dbraw/zinc/64/44/86/606644486.db2.gz RNNRZVUNRMACTD-LLVKDONJSA-N -1 3 354.326 2.027 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821615811 606668532 /nfs/dbraw/zinc/66/85/32/606668532.db2.gz OLPBIYZKSHGKQD-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821615811 606668533 /nfs/dbraw/zinc/66/85/33/606668533.db2.gz OLPBIYZKSHGKQD-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823409459 606901830 /nfs/dbraw/zinc/90/18/30/606901830.db2.gz IFJQMPOLFONZPW-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823409459 606901832 /nfs/dbraw/zinc/90/18/32/606901832.db2.gz IFJQMPOLFONZPW-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820728108 607047478 /nfs/dbraw/zinc/04/74/78/607047478.db2.gz STHPEBBYWGRSHO-XHDPSFHLSA-N -1 3 354.374 2.059 20 5 FEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820728108 607047480 /nfs/dbraw/zinc/04/74/80/607047480.db2.gz STHPEBBYWGRSHO-XHDPSFHLSA-N -1 3 354.374 2.059 20 5 FEBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000820728057 607047562 /nfs/dbraw/zinc/04/75/62/607047562.db2.gz RVNYJGDZVMNKPY-NHYWBVRUSA-N -1 3 354.374 2.059 20 5 FEBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380829 607799379 /nfs/dbraw/zinc/79/93/79/607799379.db2.gz UTVLCWMWXKWJMN-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380829 607799380 /nfs/dbraw/zinc/79/93/80/607799380.db2.gz UTVLCWMWXKWJMN-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM NC(=O)[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388498 607817056 /nfs/dbraw/zinc/81/70/56/607817056.db2.gz BFTYEUUJZOTGOK-AWEZNQCLSA-N -1 3 370.394 2.235 20 5 FEBDHM NC(=O)[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388498 607817057 /nfs/dbraw/zinc/81/70/57/607817057.db2.gz BFTYEUUJZOTGOK-AWEZNQCLSA-N -1 3 370.394 2.235 20 5 FEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826421823 607834769 /nfs/dbraw/zinc/83/47/69/607834769.db2.gz ASUZHIKFCSQHAM-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826421823 607834770 /nfs/dbraw/zinc/83/47/70/607834770.db2.gz ASUZHIKFCSQHAM-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826333344 607841944 /nfs/dbraw/zinc/84/19/44/607841944.db2.gz DISNUJXFFPRZBK-AWEZNQCLSA-N -1 3 368.401 2.467 20 5 FEBDHM Cc1cc(F)ccc1[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826268765 607873340 /nfs/dbraw/zinc/87/33/40/607873340.db2.gz MLWYVPOFWOXANC-CQSZACIVSA-N -1 3 359.317 2.335 20 5 FEBDHM Cc1cc(F)ccc1[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826268765 607873341 /nfs/dbraw/zinc/87/33/41/607873341.db2.gz MLWYVPOFWOXANC-CQSZACIVSA-N -1 3 359.317 2.335 20 5 FEBDHM CCc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000825716945 607876938 /nfs/dbraw/zinc/87/69/38/607876938.db2.gz DYNFBVXFGWVHLU-OAHLLOKOSA-N -1 3 355.354 2.450 20 5 FEBDHM CCc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000825716945 607876939 /nfs/dbraw/zinc/87/69/39/607876939.db2.gz DYNFBVXFGWVHLU-OAHLLOKOSA-N -1 3 355.354 2.450 20 5 FEBDHM Cc1sc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826349624 607945920 /nfs/dbraw/zinc/94/59/20/607945920.db2.gz ODRLTFMDTJSZOF-UHFFFAOYSA-N -1 3 356.367 2.348 20 5 FEBDHM Cc1sc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826349624 607945921 /nfs/dbraw/zinc/94/59/21/607945921.db2.gz ODRLTFMDTJSZOF-UHFFFAOYSA-N -1 3 356.367 2.348 20 5 FEBDHM Cc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1[N+](=O)[O-] ZINC000826296464 607949456 /nfs/dbraw/zinc/94/94/56/607949456.db2.gz XZULHCSOWJISLA-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC000826296464 607949457 /nfs/dbraw/zinc/94/94/57/607949457.db2.gz XZULHCSOWJISLA-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470583 607951007 /nfs/dbraw/zinc/95/10/07/607951007.db2.gz VVLPJEXXDXABOY-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470583 607951008 /nfs/dbraw/zinc/95/10/08/607951008.db2.gz VVLPJEXXDXABOY-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(CCOCC1CC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826407948 608160263 /nfs/dbraw/zinc/16/02/63/608160263.db2.gz JAOCGYGLTDCHCQ-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM O=C(CCOCC1CC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826407948 608160264 /nfs/dbraw/zinc/16/02/64/608160264.db2.gz JAOCGYGLTDCHCQ-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439061 609298897 /nfs/dbraw/zinc/29/88/97/609298897.db2.gz CXIFRDOZINWXOU-UHFFFAOYSA-N -1 3 372.772 2.401 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439061 609298899 /nfs/dbraw/zinc/29/88/99/609298899.db2.gz CXIFRDOZINWXOU-UHFFFAOYSA-N -1 3 372.772 2.401 20 5 FEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826358160 609341576 /nfs/dbraw/zinc/34/15/76/609341576.db2.gz HVFYFRAVOBBUQW-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826358160 609341578 /nfs/dbraw/zinc/34/15/78/609341578.db2.gz HVFYFRAVOBBUQW-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM COc1cc([N-]c2nc3sccn3c2[N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000561394557 674662579 /nfs/dbraw/zinc/66/25/79/674662579.db2.gz WUVKGCOHYAMYFF-UHFFFAOYSA-N -1 3 368.396 2.460 20 5 FEBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173188891 672348973 /nfs/dbraw/zinc/34/89/73/672348973.db2.gz LAUABKSTMOLGJP-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000610957501 676007451 /nfs/dbraw/zinc/00/74/51/676007451.db2.gz RHKUAUJPUULJPE-UHFFFAOYSA-N -1 3 364.305 2.124 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c1 ZINC000611033245 676013359 /nfs/dbraw/zinc/01/33/59/676013359.db2.gz XVEGIDDJRVCXQW-OAHLLOKOSA-N -1 3 372.349 2.026 20 5 FEBDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551449 672940423 /nfs/dbraw/zinc/94/04/23/672940423.db2.gz FQBOHIDEKQRJSH-UHFFFAOYSA-N -1 3 373.431 2.170 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000594832508 673155947 /nfs/dbraw/zinc/15/59/47/673155947.db2.gz ZAQFLEZGILHUDK-AWEZNQCLSA-N -1 3 366.395 2.269 20 5 FEBDHM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594849729 673162638 /nfs/dbraw/zinc/16/26/38/673162638.db2.gz FXUIAIKSOBJKLR-UHFFFAOYSA-N -1 3 370.818 2.338 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1(F)F ZINC000594858588 673167285 /nfs/dbraw/zinc/16/72/85/673167285.db2.gz SYOOEIWQQJKLQN-ZDUSSCGKSA-N -1 3 357.338 2.467 20 5 FEBDHM COC(=O)c1occc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594861627 673168725 /nfs/dbraw/zinc/16/87/25/673168725.db2.gz ZCESTWNRRRRWAT-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596232443 673370415 /nfs/dbraw/zinc/37/04/15/673370415.db2.gz UEHLQTNDQLBHPZ-JGVFFNPUSA-N -1 3 366.403 2.185 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000733320564 673409610 /nfs/dbraw/zinc/40/96/10/673409610.db2.gz QOCYEKMTHYGUHZ-NSHDSACASA-N -1 3 356.322 2.067 20 5 FEBDHM CSc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccn1 ZINC000538970660 673468808 /nfs/dbraw/zinc/46/88/08/673468808.db2.gz POCCSLBWFLXKHB-UHFFFAOYSA-N -1 3 353.425 2.499 20 5 FEBDHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000539385371 673487334 /nfs/dbraw/zinc/48/73/34/673487334.db2.gz LNNLPZORIFCPDT-CYBMUJFWSA-N -1 3 362.835 2.324 20 5 FEBDHM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCOC1 ZINC000540071299 673522488 /nfs/dbraw/zinc/52/24/88/673522488.db2.gz PMBRDNDINUGDFM-LBPRGKRZSA-N -1 3 368.333 2.461 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)O1 ZINC000601498837 673870907 /nfs/dbraw/zinc/87/09/07/673870907.db2.gz GHDLLSJPWJCXMK-VHSKPIJISA-N -1 3 368.333 2.458 20 5 FEBDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868953 675625996 /nfs/dbraw/zinc/62/59/96/675625996.db2.gz YDURNEBEXYEWFJ-SFYZADRCSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000824868953 675625997 /nfs/dbraw/zinc/62/59/97/675625997.db2.gz YDURNEBEXYEWFJ-SFYZADRCSA-N -1 3 366.765 2.182 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000751746517 680197900 /nfs/dbraw/zinc/19/79/00/680197900.db2.gz RCTBBSWRDQPMIF-VIFPVBQESA-N -1 3 368.367 2.322 20 5 FEBDHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000770512402 681018514 /nfs/dbraw/zinc/01/85/14/681018514.db2.gz LMWKLBGWNDBORS-GWCFXTLKSA-N -1 3 358.416 2.163 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OC1CCOCC1 ZINC000772704025 681108932 /nfs/dbraw/zinc/10/89/32/681108932.db2.gz BXILVTCGAANPOK-UHFFFAOYSA-N -1 3 359.176 2.127 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581446 681582782 /nfs/dbraw/zinc/58/27/82/681582782.db2.gz NAXDEJPMRAVCTG-SECBINFHSA-N -1 3 354.313 2.486 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000918194032 685537870 /nfs/dbraw/zinc/53/78/70/685537870.db2.gz QJUFPXYBGNCKRG-NEPJUHHUSA-N -1 3 359.423 2.275 20 5 FEBDHM CN(C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000853272215 682400841 /nfs/dbraw/zinc/40/08/41/682400841.db2.gz LEMPMEQQTOZTIS-LLVKDONJSA-N -1 3 352.391 2.389 20 5 FEBDHM O=C([N-]Cc1cnn(CCF)c1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000903016898 690832424 /nfs/dbraw/zinc/83/24/24/690832424.db2.gz YKHQSQVDRFVUMT-UHFFFAOYSA-N -1 3 358.276 2.049 20 5 FEBDHM Cc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000021293878 539682203 /nfs/dbraw/zinc/68/22/03/539682203.db2.gz OSIFOLPLBQUOED-UHFFFAOYSA-N -1 3 371.382 2.465 20 5 FEBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527499568 539706015 /nfs/dbraw/zinc/70/60/15/539706015.db2.gz KVDQUPITQKBFOE-LBPRGKRZSA-N -1 3 360.326 2.193 20 5 FEBDHM Cc1sc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1[N+](=O)[O-] ZINC000047167700 540293404 /nfs/dbraw/zinc/29/34/04/540293404.db2.gz OTCZGBYKHOCJPO-MRXNPFEDSA-N -1 3 374.378 2.272 20 5 FEBDHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055237628 540638978 /nfs/dbraw/zinc/63/89/78/540638978.db2.gz PHUBJSSTFJKBCI-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055295406 540644017 /nfs/dbraw/zinc/64/40/17/540644017.db2.gz RZSZZGSTLGFVPZ-OAHLLOKOSA-N -1 3 363.439 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(F)c1 ZINC000056043841 540696500 /nfs/dbraw/zinc/69/65/00/540696500.db2.gz AXTMKAGSZMOQOR-GFCCVEGCSA-N -1 3 352.343 2.016 20 5 FEBDHM COCCOc1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000060510094 541115813 /nfs/dbraw/zinc/11/58/13/541115813.db2.gz LMALTMCCMLCWFL-UHFFFAOYSA-N -1 3 366.395 2.099 20 5 FEBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000066935667 541396491 /nfs/dbraw/zinc/39/64/91/541396491.db2.gz IYUKSLPTHMQKGE-UHFFFAOYSA-N -1 3 352.416 2.215 20 5 FEBDHM Cc1nnc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000068460644 541595337 /nfs/dbraw/zinc/59/53/37/541595337.db2.gz RCAGACRJGSZUIZ-HNNXBMFYSA-N -1 3 373.394 2.089 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)c1ccncc1 ZINC000092264129 542852510 /nfs/dbraw/zinc/85/25/10/542852510.db2.gz ZZSHGBACFMAQOT-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000107704763 543276503 /nfs/dbraw/zinc/27/65/03/543276503.db2.gz UZGWADUFTRQGSF-UHFFFAOYSA-N -1 3 357.413 2.319 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000123480925 543764187 /nfs/dbraw/zinc/76/41/87/543764187.db2.gz BHYXBSALNXGTTP-UHFFFAOYSA-N -1 3 373.387 2.021 20 5 FEBDHM Cn1nc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000186190584 327950680 /nfs/dbraw/zinc/95/06/80/327950680.db2.gz KDDWIVLDPHRXHK-UHFFFAOYSA-N -1 3 360.395 2.003 20 5 FEBDHM O=c1[n-]nc(SCc2ccc([N+](=O)[O-])c(F)c2)n1C[C@H]1CCCO1 ZINC000188255837 328076021 /nfs/dbraw/zinc/07/60/21/328076021.db2.gz MJHSDIDFTGNSJF-SNVBAGLBSA-N -1 3 354.363 2.090 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000190065535 328185408 /nfs/dbraw/zinc/18/54/08/328185408.db2.gz PKLWPCUGSJTKSE-STQMWFEESA-N -1 3 353.444 2.115 20 5 FEBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193745710 328392969 /nfs/dbraw/zinc/39/29/69/328392969.db2.gz UWKAMWWWIJZWSG-LBPRGKRZSA-N -1 3 371.397 2.046 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193710088 328390876 /nfs/dbraw/zinc/39/08/76/328390876.db2.gz OPDRYLDDWKOKJH-UHFFFAOYSA-N -1 3 374.378 2.432 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000077608318 324999247 /nfs/dbraw/zinc/99/92/47/324999247.db2.gz VNDIJYPDYFAVGI-CQSZACIVSA-N -1 3 354.359 2.400 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080930578 325148334 /nfs/dbraw/zinc/14/83/34/325148334.db2.gz TWCCZKKKSGTHKI-UHFFFAOYSA-N -1 3 355.394 2.301 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000088780224 325301375 /nfs/dbraw/zinc/30/13/75/325301375.db2.gz JCCSYSSUGIAWSO-UHFFFAOYSA-N -1 3 353.400 2.495 20 5 FEBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000121016715 326306389 /nfs/dbraw/zinc/30/63/89/326306389.db2.gz MQHHZDBBUCLPGC-MRVPVSSYSA-N -1 3 356.322 2.053 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121138705 326316197 /nfs/dbraw/zinc/31/61/97/326316197.db2.gz YSROBXKSXXMTCW-UHFFFAOYSA-N -1 3 353.342 2.093 20 5 FEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121138705 326316198 /nfs/dbraw/zinc/31/61/98/326316198.db2.gz YSROBXKSXXMTCW-UHFFFAOYSA-N -1 3 353.342 2.093 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154352886 326757957 /nfs/dbraw/zinc/75/79/57/326757957.db2.gz NSUQUCDSPJVAEI-COXVUDFISA-N -1 3 360.391 2.220 20 5 FEBDHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000158182958 326887865 /nfs/dbraw/zinc/88/78/65/326887865.db2.gz NFUHPYPJARDXOS-ZYHUDNBSSA-N -1 3 356.425 2.447 20 5 FEBDHM CCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162690438 327032198 /nfs/dbraw/zinc/03/21/98/327032198.db2.gz LRODHLOPFGRQBN-UHFFFAOYSA-N -1 3 356.322 2.319 20 5 FEBDHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000167885095 327086088 /nfs/dbraw/zinc/08/60/88/327086088.db2.gz GKEHWDBQMADDQU-UHFFFAOYSA-N -1 3 370.818 2.188 20 5 FEBDHM COCCn1nc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000175177341 327378222 /nfs/dbraw/zinc/37/82/22/327378222.db2.gz RTSQOEKIGVDKGX-UHFFFAOYSA-N -1 3 358.358 2.183 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000246574139 328628605 /nfs/dbraw/zinc/62/86/05/328628605.db2.gz IHTROHWUZGHLKF-PSVOKBTDSA-N -1 3 374.484 2.261 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000263673365 328951038 /nfs/dbraw/zinc/95/10/38/328951038.db2.gz LMVDRQDBIQXIMO-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000269117641 329487415 /nfs/dbraw/zinc/48/74/15/329487415.db2.gz GAYSWDWYSMNDRR-IUODEOHRSA-N -1 3 372.468 2.236 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000275057035 330006039 /nfs/dbraw/zinc/00/60/39/330006039.db2.gz IVXFDIBDAKSCCT-JTQLQIEISA-N -1 3 374.390 2.123 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000275075204 330007657 /nfs/dbraw/zinc/00/76/57/330007657.db2.gz LVAOAVFGULXBKO-SECBINFHSA-N -1 3 364.395 2.224 20 5 FEBDHM C[C@H]1CCNC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840962 330276492 /nfs/dbraw/zinc/27/64/92/330276492.db2.gz CGQDLTAJVRDALB-OIBJUYFYSA-N -1 3 368.242 2.178 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Br)ccc1[O-] ZINC000176432681 546445190 /nfs/dbraw/zinc/44/51/90/546445190.db2.gz MMXCSLAIMAHJGV-UHFFFAOYSA-N -1 3 355.148 2.288 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1CCN(C2CCCC2)CC1 ZINC000176939556 546511281 /nfs/dbraw/zinc/51/12/81/546511281.db2.gz YUQBBTGNTSTHKR-UHFFFAOYSA-N -1 3 371.434 2.419 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000480745992 561215827 /nfs/dbraw/zinc/21/58/27/561215827.db2.gz AVRKIBQFICGEDP-NSHDSACASA-N -1 3 374.415 2.002 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c1C ZINC000480934856 561220520 /nfs/dbraw/zinc/22/05/20/561220520.db2.gz XVPAQFZNJFMOOQ-CQSZACIVSA-N -1 3 362.407 2.494 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(OC)CCC(C)CC1 ZINC000480954483 561221110 /nfs/dbraw/zinc/22/11/10/561221110.db2.gz NYGKHDQAIYDNOC-UHFFFAOYSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c1C ZINC000480964863 561221367 /nfs/dbraw/zinc/22/13/67/561221367.db2.gz VFNMOLQFRNJPJM-SECBINFHSA-N -1 3 370.349 2.457 20 5 FEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CC(C)C ZINC000481052859 561223912 /nfs/dbraw/zinc/22/39/12/561223912.db2.gz DJLJZCSCBIKXGC-ZDUSSCGKSA-N -1 3 372.443 2.325 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)c2ccsc2)c1C ZINC000182467993 547498735 /nfs/dbraw/zinc/49/87/35/547498735.db2.gz FYVBGOHDCRGTOP-CYBMUJFWSA-N -1 3 356.425 2.285 20 5 FEBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000485130278 561313393 /nfs/dbraw/zinc/31/33/93/561313393.db2.gz CIBOOQDMQPYRAE-UHFFFAOYSA-N -1 3 353.298 2.112 20 5 FEBDHM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195003168 548562982 /nfs/dbraw/zinc/56/29/82/548562982.db2.gz ATJTZVZLIOLZGM-OAQYLSRUSA-N -1 3 374.400 2.202 20 5 FEBDHM COCc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000268500533 550077376 /nfs/dbraw/zinc/07/73/76/550077376.db2.gz SDWDYTGQZOPVJF-VIFPVBQESA-N -1 3 351.388 2.287 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CCO[C@H](C)C1 ZINC000273580624 550504030 /nfs/dbraw/zinc/50/40/30/550504030.db2.gz PGGZVDBKDLDCQS-NEPJUHHUSA-N -1 3 358.416 2.087 20 5 FEBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000276910824 550609896 /nfs/dbraw/zinc/60/98/96/550609896.db2.gz JYGBJSHENYGXEU-DTWKUNHWSA-N -1 3 371.394 2.405 20 5 FEBDHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000276910824 550609897 /nfs/dbraw/zinc/60/98/97/550609897.db2.gz JYGBJSHENYGXEU-DTWKUNHWSA-N -1 3 371.394 2.405 20 5 FEBDHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000278725524 550815462 /nfs/dbraw/zinc/81/54/62/550815462.db2.gz LLZPHGSGXIGEGG-QMMMGPOBSA-N -1 3 356.322 2.053 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000497932837 561511583 /nfs/dbraw/zinc/51/15/83/561511583.db2.gz DTMGNYUSXFZPQT-BXKDBHETSA-N -1 3 370.349 2.192 20 5 FEBDHM Cc1nc(C)c(CCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000283684337 551409284 /nfs/dbraw/zinc/40/92/84/551409284.db2.gz SUPPVVKJWRLTED-UHFFFAOYSA-N -1 3 358.398 2.341 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)c1C ZINC000285171580 551714911 /nfs/dbraw/zinc/71/49/11/551714911.db2.gz CNVMPKSZAWZRCK-CYBMUJFWSA-N -1 3 367.431 2.016 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000285364601 551744471 /nfs/dbraw/zinc/74/44/71/551744471.db2.gz QUEFXPMTTLIWLI-GFCCVEGCSA-N -1 3 373.822 2.052 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2nc(C3CCOCC3)cs2)c1[N+](=O)[O-] ZINC000286353766 551877645 /nfs/dbraw/zinc/87/76/45/551877645.db2.gz LOZCTNCQXSLXMV-UHFFFAOYSA-N -1 3 351.388 2.483 20 5 FEBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000286566363 551900749 /nfs/dbraw/zinc/90/07/49/551900749.db2.gz IRXNZODALXLTDE-UHFFFAOYSA-N -1 3 364.305 2.124 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000288432657 552152440 /nfs/dbraw/zinc/15/24/40/552152440.db2.gz PPAVGVQTRDAEOF-NSHDSACASA-N -1 3 364.379 2.058 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c([N+](=O)[O-])c1 ZINC000288935803 552239419 /nfs/dbraw/zinc/23/94/19/552239419.db2.gz NLWQBMHGIMAZDY-ZDUSSCGKSA-N -1 3 354.388 2.002 20 5 FEBDHM Cc1nnsc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000292057054 552689154 /nfs/dbraw/zinc/68/91/54/552689154.db2.gz OEXBVOGEGZDREC-UHFFFAOYSA-N -1 3 362.820 2.195 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)[nH]2)c1 ZINC000295232378 552972925 /nfs/dbraw/zinc/97/29/25/552972925.db2.gz INNVUTSXNOPLSZ-UHFFFAOYSA-N -1 3 373.822 2.277 20 5 FEBDHM Cc1cc([C@@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])oc1C ZINC000502400892 561617810 /nfs/dbraw/zinc/61/78/10/561617810.db2.gz KIZUGFWMGMFILP-GFCCVEGCSA-N -1 3 367.427 2.434 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN=c1ncnc2[nH][n-]cc1-2 ZINC000502723733 561623994 /nfs/dbraw/zinc/62/39/94/561623994.db2.gz OKUZVNKRWMRQOG-UHFFFAOYSA-N -1 3 367.291 2.177 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000326870625 553784008 /nfs/dbraw/zinc/78/40/08/553784008.db2.gz XNCVHFZXNFJQIQ-GRYCIOLGSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507517115 561731554 /nfs/dbraw/zinc/73/15/54/561731554.db2.gz 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CN1CCC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416568360 559322304 /nfs/dbraw/zinc/32/23/04/559322304.db2.gz WXYBAVPKVZBBKV-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569390 559322431 /nfs/dbraw/zinc/32/24/31/559322431.db2.gz YAZUILZJNZGODY-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM CN1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569390 559322432 /nfs/dbraw/zinc/32/24/32/559322432.db2.gz YAZUILZJNZGODY-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM COCC1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000416595168 559324066 /nfs/dbraw/zinc/32/40/66/559324066.db2.gz PVFYGLVCKAXPRX-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000416613065 559325230 /nfs/dbraw/zinc/32/52/30/559325230.db2.gz ZQVATUFBVNQBIE-MRVPVSSYSA-N -1 3 356.322 2.470 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)c([N+](=O)[O-])c1 ZINC000420696597 559498813 /nfs/dbraw/zinc/49/88/13/559498813.db2.gz HETFSOAXLUSRHZ-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC(C)(C)N1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000425076352 559686324 /nfs/dbraw/zinc/68/63/24/559686324.db2.gz FRPGCKZJYUIVOL-UHFFFAOYSA-N -1 3 350.404 2.183 20 5 FEBDHM NC(=O)N1CCc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000428048023 559768515 /nfs/dbraw/zinc/76/85/15/559768515.db2.gz KKZJXIGFKCFNNR-UHFFFAOYSA-N -1 3 366.337 2.165 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)cc1C ZINC000428402293 559774694 /nfs/dbraw/zinc/77/46/94/559774694.db2.gz HSEQIFLABLRQRT-CYBMUJFWSA-N -1 3 362.407 2.363 20 5 FEBDHM COC(=O)c1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1C1CC1 ZINC000430393838 559819342 /nfs/dbraw/zinc/81/93/42/559819342.db2.gz NQPONWHPALNUHA-UHFFFAOYSA-N -1 3 364.339 2.068 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(O)C2)c(C(F)(F)F)c1 ZINC000432294955 559855735 /nfs/dbraw/zinc/85/57/35/559855735.db2.gz FWJDPFDQPVVNOX-UHFFFAOYSA-N -1 3 368.333 2.053 20 5 FEBDHM CCC[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000433466975 559882382 /nfs/dbraw/zinc/88/23/82/559882382.db2.gz DHQDKKUWQQMSBD-CYBMUJFWSA-N -1 3 372.443 2.469 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)[n-]c21 ZINC000438356612 559977790 /nfs/dbraw/zinc/97/77/90/559977790.db2.gz VDAMSNVGBVFPSH-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc21 ZINC000438356612 559977791 /nfs/dbraw/zinc/97/77/91/559977791.db2.gz VDAMSNVGBVFPSH-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000440364406 560009517 /nfs/dbraw/zinc/00/95/17/560009517.db2.gz DWSONNADFUMSTH-QMMMGPOBSA-N -1 3 350.356 2.224 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000443267472 560076971 /nfs/dbraw/zinc/07/69/71/560076971.db2.gz ALVLBCSKEJDFPG-ZDUSSCGKSA-N -1 3 354.359 2.054 20 5 FEBDHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000443787043 560092775 /nfs/dbraw/zinc/09/27/75/560092775.db2.gz XELVWTQYZDOUJH-UHFFFAOYSA-N -1 3 356.429 2.189 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444237543 560106480 /nfs/dbraw/zinc/10/64/80/560106480.db2.gz MYYOXOJMVRGPOH-UHFFFAOYSA-N -1 3 362.345 2.443 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000445730947 560134447 /nfs/dbraw/zinc/13/44/47/560134447.db2.gz DAWAOIPFRNECEF-HNNXBMFYSA-N -1 3 373.394 2.089 20 5 FEBDHM Cc1nc(NC2CCN(C(=O)c3ccccc3[O-])CC2)ncc1[N+](=O)[O-] ZINC000450295051 560257620 /nfs/dbraw/zinc/25/76/20/560257620.db2.gz UQUSNUGIFHQABN-UHFFFAOYSA-N -1 3 357.370 2.116 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451671632 560321202 /nfs/dbraw/zinc/32/12/02/560321202.db2.gz MVGNWDACGMLYPT-CQSZACIVSA-N -1 3 350.396 2.131 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000451704310 560323313 /nfs/dbraw/zinc/32/33/13/560323313.db2.gz CKQDWLXNSNQULR-KOLCDFICSA-N -1 3 372.777 2.240 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451825313 560331052 /nfs/dbraw/zinc/33/10/52/560331052.db2.gz QQPAYJKWJWTYCJ-SECBINFHSA-N -1 3 350.343 2.317 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451853073 560332328 /nfs/dbraw/zinc/33/23/28/560332328.db2.gz LGQHPQKUNHEECR-ZFWWWQNUSA-N -1 3 358.460 2.471 20 5 FEBDHM O=C(c1c[n-]c2ccccc2c1=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461395253 560769531 /nfs/dbraw/zinc/76/95/31/560769531.db2.gz CPSQMZDPHARCNP-UHFFFAOYSA-N -1 3 365.345 2.471 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000467042566 560902232 /nfs/dbraw/zinc/90/22/32/560902232.db2.gz ABLUIQLFPHYQEJ-UHFFFAOYSA-N -1 3 368.440 2.153 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000467065071 560902796 /nfs/dbraw/zinc/90/27/96/560902796.db2.gz OZSRYVDVHYWHTQ-BIMULSAOSA-N -1 3 360.457 2.447 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000467065072 560902824 /nfs/dbraw/zinc/90/28/24/560902824.db2.gz OZSRYVDVHYWHTQ-OASPWFOLSA-N -1 3 360.457 2.447 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000469064220 560946354 /nfs/dbraw/zinc/94/63/54/560946354.db2.gz OBDASDFBYGJUIT-UHFFFAOYSA-N -1 3 368.411 2.240 20 5 FEBDHM COC(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cc([N+](=O)[O-])c1 ZINC000472157323 561019790 /nfs/dbraw/zinc/01/97/90/561019790.db2.gz NNLDRMREEFRBHS-UHFFFAOYSA-N -1 3 367.321 2.419 20 5 FEBDHM COC(=O)c1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cc([N+](=O)[O-])c1 ZINC000472157323 561019791 /nfs/dbraw/zinc/01/97/91/561019791.db2.gz NNLDRMREEFRBHS-UHFFFAOYSA-N -1 3 367.321 2.419 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1F ZINC000473349685 561048081 /nfs/dbraw/zinc/04/80/81/561048081.db2.gz MTAYNRYPESZZIV-UHFFFAOYSA-N -1 3 371.321 2.497 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(OC)CCCCC1 ZINC000476223815 561113696 /nfs/dbraw/zinc/11/36/96/561113696.db2.gz RONQDVXKZXFKDQ-UHFFFAOYSA-N -1 3 358.416 2.231 20 5 FEBDHM CCn1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc2cccnc21 ZINC000476960700 561132957 /nfs/dbraw/zinc/13/29/57/561132957.db2.gz KAMZJOFMRULADP-UHFFFAOYSA-N -1 3 351.326 2.488 20 5 FEBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C ZINC000477180707 561138589 /nfs/dbraw/zinc/13/85/89/561138589.db2.gz UXHFBAZPOSRBNA-WOPDTQHZSA-N -1 3 370.427 2.469 20 5 FEBDHM COc1ccc([O-])c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000532346369 562474810 /nfs/dbraw/zinc/47/48/10/562474810.db2.gz YQSDMPQYZPKDNX-UHFFFAOYSA-N -1 3 355.310 2.142 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(C)c1 ZINC000532451300 562478595 /nfs/dbraw/zinc/47/85/95/562478595.db2.gz RTBVDAWJAHIVAQ-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000534819762 562543165 /nfs/dbraw/zinc/54/31/65/562543165.db2.gz XFEWVKBOOMZPIC-SNVBAGLBSA-N -1 3 358.416 2.079 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c(Cl)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000738369777 598854950 /nfs/dbraw/zinc/85/49/50/598854950.db2.gz OHGRXYSYWJPSHE-UHFFFAOYSA-N -1 3 357.761 2.386 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c(Cl)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000738369777 598854951 /nfs/dbraw/zinc/85/49/51/598854951.db2.gz OHGRXYSYWJPSHE-UHFFFAOYSA-N -1 3 357.761 2.386 20 5 FEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000736040854 598887681 /nfs/dbraw/zinc/88/76/81/598887681.db2.gz ROSJLVBGFNGJNL-NSHDSACASA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000736040854 598887682 /nfs/dbraw/zinc/88/76/82/598887682.db2.gz ROSJLVBGFNGJNL-NSHDSACASA-N -1 3 369.337 2.399 20 5 FEBDHM CC(=O)Nc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819828035 599040327 /nfs/dbraw/zinc/04/03/27/599040327.db2.gz XXWDKFXSNBSDES-UHFFFAOYSA-N -1 3 353.342 2.345 20 5 FEBDHM CC(=O)Nc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819828035 599040330 /nfs/dbraw/zinc/04/03/30/599040330.db2.gz XXWDKFXSNBSDES-UHFFFAOYSA-N -1 3 353.342 2.345 20 5 FEBDHM CN(CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821600360 599286309 /nfs/dbraw/zinc/28/63/09/599286309.db2.gz JHEMLEVTGWXIOX-UHFFFAOYSA-N -1 3 354.374 2.108 20 5 FEBDHM CN(CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821600360 599286311 /nfs/dbraw/zinc/28/63/11/599286311.db2.gz JHEMLEVTGWXIOX-UHFFFAOYSA-N -1 3 354.374 2.108 20 5 FEBDHM Cc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000737386680 598305009 /nfs/dbraw/zinc/30/50/09/598305009.db2.gz ZCDYPUYQHLJHBJ-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000737386680 598305011 /nfs/dbraw/zinc/30/50/11/598305011.db2.gz ZCDYPUYQHLJHBJ-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000738318709 598380575 /nfs/dbraw/zinc/38/05/75/598380575.db2.gz LYENMJXXUPXXAN-ZROIWOOFSA-N -1 3 362.305 2.119 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000738318709 598380577 /nfs/dbraw/zinc/38/05/77/598380577.db2.gz LYENMJXXUPXXAN-ZROIWOOFSA-N -1 3 362.305 2.119 20 5 FEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820533832 607355721 /nfs/dbraw/zinc/35/57/21/607355721.db2.gz HBMOBWJGVJWBFC-VIFPVBQESA-N -1 3 373.300 2.287 20 5 FEBDHM C[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736156860 598482759 /nfs/dbraw/zinc/48/27/59/598482759.db2.gz YJOZFLOGPMUYNP-NSHDSACASA-N -1 3 368.353 2.491 20 5 FEBDHM C[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736156860 598482760 /nfs/dbraw/zinc/48/27/60/598482760.db2.gz YJOZFLOGPMUYNP-NSHDSACASA-N -1 3 368.353 2.491 20 5 FEBDHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737932320 598498603 /nfs/dbraw/zinc/49/86/03/598498603.db2.gz XJXWHNFLVDHNNT-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737932320 598498605 /nfs/dbraw/zinc/49/86/05/598498605.db2.gz XJXWHNFLVDHNNT-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM Cc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(N)c([N+](=O)[O-])c1 ZINC000737244126 598531225 /nfs/dbraw/zinc/53/12/25/598531225.db2.gz YZTKYPSSTVDVBS-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM Cc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(N)c([N+](=O)[O-])c1 ZINC000737244126 598531227 /nfs/dbraw/zinc/53/12/27/598531227.db2.gz YZTKYPSSTVDVBS-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826304616 607361065 /nfs/dbraw/zinc/36/10/65/607361065.db2.gz RUIFWYPDLXHSOY-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826304616 607361067 /nfs/dbraw/zinc/36/10/67/607361067.db2.gz RUIFWYPDLXHSOY-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM CCC(O)(CC)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820931307 599502643 /nfs/dbraw/zinc/50/26/43/599502643.db2.gz DQJWVPWQSYXCSN-UHFFFAOYSA-N -1 3 357.374 2.286 20 5 FEBDHM CCC(O)(CC)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820931307 599502644 /nfs/dbraw/zinc/50/26/44/599502644.db2.gz DQJWVPWQSYXCSN-UHFFFAOYSA-N -1 3 357.374 2.286 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826212043 607442786 /nfs/dbraw/zinc/44/27/86/607442786.db2.gz DTGIKIMFUSMSIF-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826212043 607442788 /nfs/dbraw/zinc/44/27/88/607442788.db2.gz DTGIKIMFUSMSIF-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C ZINC000809821054 674512996 /nfs/dbraw/zinc/51/29/96/674512996.db2.gz HHFQCVBJYICEOP-IUCAKERBSA-N -1 3 365.814 2.148 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@](C)(CNC(=O)[O-])C(C)C ZINC000740176183 603137599 /nfs/dbraw/zinc/13/75/99/603137599.db2.gz YFDBDWCHCLYSTG-INIZCTEOSA-N -1 3 352.391 2.114 20 5 FEBDHM C[C@H](O)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698461 607737777 /nfs/dbraw/zinc/73/77/77/607737777.db2.gz LETVPWHJCGTZPR-QWRGUYRKSA-N -1 3 369.385 2.063 20 5 FEBDHM C[C@H](O)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698461 607737778 /nfs/dbraw/zinc/73/77/78/607737778.db2.gz LETVPWHJCGTZPR-QWRGUYRKSA-N -1 3 369.385 2.063 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3cscn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645518 606125392 /nfs/dbraw/zinc/12/53/92/606125392.db2.gz SLPJYIOMXQUFJK-UHFFFAOYSA-N -1 3 368.382 2.434 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3cscn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645518 606125393 /nfs/dbraw/zinc/12/53/93/606125393.db2.gz SLPJYIOMXQUFJK-UHFFFAOYSA-N -1 3 368.382 2.434 20 5 FEBDHM CCOc1cc(NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-] ZINC000821401009 606449964 /nfs/dbraw/zinc/44/99/64/606449964.db2.gz SDCYCMNTVFSNEZ-UHFFFAOYSA-N -1 3 370.373 2.093 20 5 FEBDHM CCOc1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-] ZINC000821401009 606449966 /nfs/dbraw/zinc/44/99/66/606449966.db2.gz SDCYCMNTVFSNEZ-UHFFFAOYSA-N -1 3 370.373 2.093 20 5 FEBDHM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819987863 606545556 /nfs/dbraw/zinc/54/55/56/606545556.db2.gz OOYXJCWRGZEZRP-UHFFFAOYSA-N -1 3 352.354 2.440 20 5 FEBDHM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819987863 606545558 /nfs/dbraw/zinc/54/55/58/606545558.db2.gz OOYXJCWRGZEZRP-UHFFFAOYSA-N -1 3 352.354 2.440 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823049690 606993835 /nfs/dbraw/zinc/99/38/35/606993835.db2.gz IEVNLVBHEFJQBE-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823049690 606993836 /nfs/dbraw/zinc/99/38/36/606993836.db2.gz IEVNLVBHEFJQBE-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM C[C@@H](O)C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473708 607046090 /nfs/dbraw/zinc/04/60/90/607046090.db2.gz JYCQCDUIDHKINV-DGCLKSJQSA-N -1 3 369.385 2.137 20 5 FEBDHM C[C@@H](O)C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473708 607046091 /nfs/dbraw/zinc/04/60/91/607046091.db2.gz JYCQCDUIDHKINV-DGCLKSJQSA-N -1 3 369.385 2.137 20 5 FEBDHM Cc1nn(C)cc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822496844 607048075 /nfs/dbraw/zinc/04/80/75/607048075.db2.gz UZQRGYGDDYASJV-CYBMUJFWSA-N -1 3 354.374 2.158 20 5 FEBDHM Cc1nn(C)cc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822496844 607048077 /nfs/dbraw/zinc/04/80/77/607048077.db2.gz UZQRGYGDDYASJV-CYBMUJFWSA-N -1 3 354.374 2.158 20 5 FEBDHM NC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCCC1 ZINC000826390973 607934550 /nfs/dbraw/zinc/93/45/50/607934550.db2.gz SJAKAOFAAQRWGG-CYBMUJFWSA-N -1 3 359.390 2.011 20 5 FEBDHM NC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC000826390973 607934551 /nfs/dbraw/zinc/93/45/51/607934551.db2.gz SJAKAOFAAQRWGG-CYBMUJFWSA-N -1 3 359.390 2.011 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc3c(cc1-c1nnn[n-]1)CCC3)C2 ZINC000826500437 607937939 /nfs/dbraw/zinc/93/79/39/607937939.db2.gz YJOXIYBIDIAACD-UHFFFAOYSA-N -1 3 363.381 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc3c(cc1-c1nn[n-]n1)CCC3)C2 ZINC000826500437 607937940 /nfs/dbraw/zinc/93/79/40/607937940.db2.gz YJOXIYBIDIAACD-UHFFFAOYSA-N -1 3 363.381 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000826500083 607943294 /nfs/dbraw/zinc/94/32/94/607943294.db2.gz KPCZDFCTYPPKIZ-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000826500083 607943295 /nfs/dbraw/zinc/94/32/95/607943295.db2.gz KPCZDFCTYPPKIZ-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000826499573 607968540 /nfs/dbraw/zinc/96/85/40/607968540.db2.gz NRDTTYNZZOMDFO-UHFFFAOYSA-N -1 3 361.365 2.400 20 5 FEBDHM O=[N+]([O-])c1cccc(CCNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000826499573 607968541 /nfs/dbraw/zinc/96/85/41/607968541.db2.gz NRDTTYNZZOMDFO-UHFFFAOYSA-N -1 3 361.365 2.400 20 5 FEBDHM O=C(Cc1cccnc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423981 608161626 /nfs/dbraw/zinc/16/16/26/608161626.db2.gz QKKAUSNRWSGDMI-UHFFFAOYSA-N -1 3 359.733 2.005 20 5 FEBDHM O=C(Cc1cccnc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423981 608161628 /nfs/dbraw/zinc/16/16/28/608161628.db2.gz QKKAUSNRWSGDMI-UHFFFAOYSA-N -1 3 359.733 2.005 20 5 FEBDHM CC(C)CO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824267108 608162552 /nfs/dbraw/zinc/16/25/52/608162552.db2.gz YEJOVCFFMSDARB-MRVPVSSYSA-N -1 3 368.781 2.428 20 5 FEBDHM CC(C)CO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824267108 608162553 /nfs/dbraw/zinc/16/25/53/608162553.db2.gz YEJOVCFFMSDARB-MRVPVSSYSA-N -1 3 368.781 2.428 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826172147 608347894 /nfs/dbraw/zinc/34/78/94/608347894.db2.gz PFMTWDCMEORCRQ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826172147 608347896 /nfs/dbraw/zinc/34/78/96/608347896.db2.gz PFMTWDCMEORCRQ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCO1 ZINC000824651263 608363796 /nfs/dbraw/zinc/36/37/96/608363796.db2.gz YGUDGJVDRGZIPZ-YMTOWFKASA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCO1 ZINC000824651263 608363797 /nfs/dbraw/zinc/36/37/97/608363797.db2.gz YGUDGJVDRGZIPZ-YMTOWFKASA-N -1 3 355.358 2.303 20 5 FEBDHM Cc1nn(C)c(C)c1CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826333816 608413999 /nfs/dbraw/zinc/41/39/99/608413999.db2.gz WEVOQYUHCTXEHV-UHFFFAOYSA-N -1 3 356.390 2.170 20 5 FEBDHM Cc1nn(C)c(C)c1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826333816 608414000 /nfs/dbraw/zinc/41/40/00/608414000.db2.gz WEVOQYUHCTXEHV-UHFFFAOYSA-N -1 3 356.390 2.170 20 5 FEBDHM Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)nc12 ZINC000826308424 608667556 /nfs/dbraw/zinc/66/75/56/608667556.db2.gz YUGNHDJOUBFQDK-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)nc12 ZINC000826308424 608667557 /nfs/dbraw/zinc/66/75/57/608667557.db2.gz YUGNHDJOUBFQDK-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1cc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269496 609244231 /nfs/dbraw/zinc/24/42/31/609244231.db2.gz OBSXJEIEIBRKBP-NSHDSACASA-N -1 3 368.353 2.489 20 5 FEBDHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000811824491 674631459 /nfs/dbraw/zinc/63/14/59/674631459.db2.gz AKTZQMLZHVGBRE-UHFFFAOYSA-N -1 3 368.342 2.250 20 5 FEBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572010 670768473 /nfs/dbraw/zinc/76/84/73/670768473.db2.gz HCQZOYDKUCWWOE-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545623 675925666 /nfs/dbraw/zinc/92/56/66/675925666.db2.gz HCCNRFNQLUINLA-GFCCVEGCSA-N -1 3 361.851 2.401 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c(F)c1 ZINC000609598146 675928146 /nfs/dbraw/zinc/92/81/46/675928146.db2.gz DMCHCSIABKDCKN-HNNXBMFYSA-N -1 3 366.370 2.326 20 5 FEBDHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119465848 671900058 /nfs/dbraw/zinc/90/00/58/671900058.db2.gz YCPRDHQMXLGIHN-CQSZACIVSA-N -1 3 354.359 2.054 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000610590812 675983452 /nfs/dbraw/zinc/98/34/52/675983452.db2.gz XXENHLGGPZPCNL-UHFFFAOYSA-N -1 3 368.367 2.151 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccn2)c1 ZINC000158084058 672265806 /nfs/dbraw/zinc/26/58/06/672265806.db2.gz XGIRRRSMZGVPQX-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC000159049287 672276865 /nfs/dbraw/zinc/27/68/65/672276865.db2.gz LBPXOVMWXQUBTB-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000176635298 672375553 /nfs/dbraw/zinc/37/55/53/672375553.db2.gz XULOGQVJVULLLH-UHFFFAOYSA-N -1 3 371.806 2.269 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CCC2)c(C(F)(F)F)c1 ZINC000183298368 672465290 /nfs/dbraw/zinc/46/52/90/672465290.db2.gz YOROGFZHIWGBEQ-UHFFFAOYSA-N -1 3 368.333 2.055 20 5 FEBDHM COc1ncccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000589302588 672521094 /nfs/dbraw/zinc/52/10/94/672521094.db2.gz RDEXXTIDAIBGKW-UHFFFAOYSA-N -1 3 371.802 2.173 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000249690162 672873754 /nfs/dbraw/zinc/87/37/54/672873754.db2.gz QHQVBARMSKTBLP-NWDGAFQWSA-N -1 3 359.423 2.133 20 5 FEBDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573399 672947750 /nfs/dbraw/zinc/94/77/50/672947750.db2.gz QOXTWXOLMQFNQD-BONVTDFDSA-N -1 3 369.374 2.183 20 5 FEBDHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594788929 673143122 /nfs/dbraw/zinc/14/31/22/673143122.db2.gz ICDZCOBBNLQUEO-NSHDSACASA-N -1 3 361.851 2.399 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1F ZINC000594858977 673167292 /nfs/dbraw/zinc/16/72/92/673167292.db2.gz WONRRPKOJBSBJT-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)c(Cl)c1 ZINC000594865734 673171223 /nfs/dbraw/zinc/17/12/23/673171223.db2.gz MJXJYHZZVCZTGS-UHFFFAOYSA-N -1 3 360.819 2.078 20 5 FEBDHM Cc1nonc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000727709920 673180357 /nfs/dbraw/zinc/18/03/57/673180357.db2.gz XWWYIPKOZSVBGE-UHFFFAOYSA-N -1 3 374.094 2.143 20 5 FEBDHM O=c1[n-]ccc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1[N+](=O)[O-] ZINC000596134513 673362178 /nfs/dbraw/zinc/36/21/78/673362178.db2.gz KSTLJVVCQJBRFL-UHFFFAOYSA-N -1 3 362.773 2.198 20 5 FEBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000597664523 673497350 /nfs/dbraw/zinc/49/73/50/673497350.db2.gz KKOVLWNJWAJIIB-UHFFFAOYSA-N -1 3 364.427 2.483 20 5 FEBDHM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N-]C(=O)c1cccs1 ZINC000736864361 673542701 /nfs/dbraw/zinc/54/27/01/673542701.db2.gz RMQDGOSUKHUUHG-UHFFFAOYSA-N -1 3 368.754 2.423 20 5 FEBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000542240547 673569368 /nfs/dbraw/zinc/56/93/68/673569368.db2.gz CSSZOYPRNUTXPY-UFBFGSQYSA-N -1 3 368.333 2.459 20 5 FEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598624218 673592059 /nfs/dbraw/zinc/59/20/59/673592059.db2.gz GLLWWTKFUQAGFF-SECBINFHSA-N -1 3 357.338 2.467 20 5 FEBDHM COc1cc(CNC[C@@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000598989919 673626898 /nfs/dbraw/zinc/62/68/98/673626898.db2.gz VYVVRVRKWDRCAV-CYBMUJFWSA-N -1 3 360.292 2.399 20 5 FEBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599409414 673671425 /nfs/dbraw/zinc/67/14/25/673671425.db2.gz CJEQBOCOCSMGCJ-JTQLQIEISA-N -1 3 350.824 2.324 20 5 FEBDHM CCOC(=O)c1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000614307691 676168958 /nfs/dbraw/zinc/16/89/58/676168958.db2.gz AMHOPGPSXQSWRT-UHFFFAOYSA-N -1 3 351.340 2.494 20 5 FEBDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548695610 673987852 /nfs/dbraw/zinc/98/78/52/673987852.db2.gz ZNOMXHWBCJFAOH-UHFFFAOYSA-N -1 3 365.411 2.466 20 5 FEBDHM O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770178815 681008533 /nfs/dbraw/zinc/00/85/33/681008533.db2.gz MWQCFESMDVUXAU-UHFFFAOYSA-N -1 3 357.351 2.422 20 5 FEBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775913287 681348107 /nfs/dbraw/zinc/34/81/07/681348107.db2.gz CTWCSCMTVKOWIA-SOFGYWHQSA-N -1 3 355.276 2.451 20 5 FEBDHM O=c1[n-]ccc(N2CCC(O)(c3c(F)cccc3F)CC2)c1[N+](=O)[O-] ZINC000853486780 682422192 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CC(C)c1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000067135576 541422503 /nfs/dbraw/zinc/42/25/03/541422503.db2.gz JQZOVNYERAJISH-UHFFFAOYSA-N -1 3 359.371 2.403 20 5 FEBDHM CC[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC(=O)N1 ZINC000543616931 541621985 /nfs/dbraw/zinc/62/19/85/541621985.db2.gz OSLFGIOHHMHAKD-VXGBXAGGSA-N -1 3 357.370 2.228 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000072993686 541906575 /nfs/dbraw/zinc/90/65/75/541906575.db2.gz GHFLPGUQJLSQJO-SECBINFHSA-N -1 3 355.372 2.248 20 5 FEBDHM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000104943117 543152154 /nfs/dbraw/zinc/15/21/54/543152154.db2.gz NPCFMPGCMXLDQV-UHFFFAOYSA-N -1 3 370.409 2.432 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)cc1C ZINC000126013409 543913439 /nfs/dbraw/zinc/91/34/39/543913439.db2.gz WUKATYPIDSZLOB-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] 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UUFCGYZYISSMRP-UHFFFAOYSA-N -1 3 359.386 2.235 20 5 FEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000120845260 326293010 /nfs/dbraw/zinc/29/30/10/326293010.db2.gz GXRDSCZNXZJTBV-IUCAKERBSA-N -1 3 370.349 2.299 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c(Cl)c1 ZINC000129253640 326537216 /nfs/dbraw/zinc/53/72/16/326537216.db2.gz BGHUMZRDSLSDFG-RAIGVLPGSA-N -1 3 360.819 2.484 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000159919894 326946907 /nfs/dbraw/zinc/94/69/07/326946907.db2.gz YOGHPVRBSWZADV-JTQLQIEISA-N -1 3 357.413 2.490 20 5 FEBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163185919 327045344 /nfs/dbraw/zinc/04/53/44/327045344.db2.gz STDQQUICBBRAHU-QMMMGPOBSA-N -1 3 356.322 2.317 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cccc2)c(C(F)(F)F)c1 ZINC000163426600 327051352 /nfs/dbraw/zinc/05/13/52/327051352.db2.gz GZIJBNZKVAKDEK-UHFFFAOYSA-N -1 3 363.317 2.394 20 5 FEBDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000167657436 327085535 /nfs/dbraw/zinc/08/55/35/327085535.db2.gz AIHYISHDCWQENZ-UHFFFAOYSA-N -1 3 366.443 2.240 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCN(C2CC2)C1 ZINC000173022040 327230979 /nfs/dbraw/zinc/23/09/79/327230979.db2.gz IQXOIIARALEKDI-SNVBAGLBSA-N -1 3 359.835 2.011 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c1C ZINC000247101028 328668374 /nfs/dbraw/zinc/66/83/74/328668374.db2.gz QADHRMVOSGQLKR-GZBFAFLISA-N -1 3 354.428 2.448 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCOCC1 ZINC000266721217 329252856 /nfs/dbraw/zinc/25/28/56/329252856.db2.gz JQDAQFZVABVQPJ-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1 ZINC000269355087 329510766 /nfs/dbraw/zinc/51/07/66/329510766.db2.gz TZHFNDLEIIFXOO-LBPRGKRZSA-N -1 3 372.468 2.318 20 5 FEBDHM C[C@H](CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000271187984 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FMCWNRXIQCZKNC-DFBGVHRSSA-N -1 3 370.402 2.360 20 5 FEBDHM COc1cc(OCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccc1[N+](=O)[O-] ZINC000479478555 561190353 /nfs/dbraw/zinc/19/03/53/561190353.db2.gz NMWKGPCTIPMGHB-UHFFFAOYSA-N -1 3 373.325 2.307 20 5 FEBDHM COc1cc(OCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccc1[N+](=O)[O-] ZINC000479478555 561190354 /nfs/dbraw/zinc/19/03/54/561190354.db2.gz NMWKGPCTIPMGHB-UHFFFAOYSA-N -1 3 373.325 2.307 20 5 FEBDHM COc1cc(OCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1[N+](=O)[O-] ZINC000479478555 561190355 /nfs/dbraw/zinc/19/03/55/561190355.db2.gz NMWKGPCTIPMGHB-UHFFFAOYSA-N -1 3 373.325 2.307 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)C1 ZINC000481242837 561228873 /nfs/dbraw/zinc/22/88/73/561228873.db2.gz QAIJLLNBCWOYSH-QWRGUYRKSA-N -1 3 356.400 2.096 20 5 FEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481907453 561245012 /nfs/dbraw/zinc/24/50/12/561245012.db2.gz HSDSECXANROSFW-UHFFFAOYSA-N -1 3 368.275 2.003 20 5 FEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481907453 561245013 /nfs/dbraw/zinc/24/50/13/561245013.db2.gz HSDSECXANROSFW-UHFFFAOYSA-N -1 3 368.275 2.003 20 5 FEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481907453 561245014 /nfs/dbraw/zinc/24/50/14/561245014.db2.gz HSDSECXANROSFW-UHFFFAOYSA-N -1 3 368.275 2.003 20 5 FEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000481912759 561245213 /nfs/dbraw/zinc/24/52/13/561245213.db2.gz BIOWMNWGSGGCBY-UHFFFAOYSA-N -1 3 354.248 2.143 20 5 FEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000481912759 561245214 /nfs/dbraw/zinc/24/52/14/561245214.db2.gz BIOWMNWGSGGCBY-UHFFFAOYSA-N -1 3 354.248 2.143 20 5 FEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000481912759 561245215 /nfs/dbraw/zinc/24/52/15/561245215.db2.gz BIOWMNWGSGGCBY-UHFFFAOYSA-N -1 3 354.248 2.143 20 5 FEBDHM COc1nnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[n-]1 ZINC000179703399 547000976 /nfs/dbraw/zinc/00/09/76/547000976.db2.gz KMQTUAQGOQVLJB-UHFFFAOYSA-N -1 3 374.279 2.181 20 5 FEBDHM COc1nc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[n-]1 ZINC000179703399 547000978 /nfs/dbraw/zinc/00/09/78/547000978.db2.gz KMQTUAQGOQVLJB-UHFFFAOYSA-N -1 3 374.279 2.181 20 5 FEBDHM COc1n[n-]c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000179703399 547000979 /nfs/dbraw/zinc/00/09/79/547000979.db2.gz KMQTUAQGOQVLJB-UHFFFAOYSA-N -1 3 374.279 2.181 20 5 FEBDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000181714894 547365720 /nfs/dbraw/zinc/36/57/20/547365720.db2.gz JRFSMEPAKXVUIH-UHFFFAOYSA-N -1 3 356.379 2.065 20 5 FEBDHM CN(C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000181970454 547415463 /nfs/dbraw/zinc/41/54/63/547415463.db2.gz QLXTXRSFBMZLRD-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM COc1nnc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)[n-]1 ZINC000182983624 547583390 /nfs/dbraw/zinc/58/33/90/547583390.db2.gz MPMOQUBQXBOJTP-PHIMTYICSA-N -1 3 374.401 2.456 20 5 FEBDHM COc1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[n-]1 ZINC000182983624 547583397 /nfs/dbraw/zinc/58/33/97/547583397.db2.gz MPMOQUBQXBOJTP-PHIMTYICSA-N -1 3 374.401 2.456 20 5 FEBDHM COc1n[n-]c(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000182983624 547583403 /nfs/dbraw/zinc/58/34/03/547583403.db2.gz MPMOQUBQXBOJTP-PHIMTYICSA-N -1 3 374.401 2.456 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000185038423 547921071 /nfs/dbraw/zinc/92/10/71/547921071.db2.gz UAMFERFGTOTYQP-GJZGRUSLSA-N -1 3 360.407 2.262 20 5 FEBDHM COc1cc(CN[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000485377872 561317788 /nfs/dbraw/zinc/31/77/88/561317788.db2.gz BTMUTTGQLOBJJR-QMMMGPOBSA-N -1 3 366.292 2.497 20 5 FEBDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185261994 547961569 /nfs/dbraw/zinc/96/15/69/547961569.db2.gz YNWWXKGVLSRLJB-HPOULIHZSA-N -1 3 368.333 2.219 20 5 FEBDHM 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/nfs/dbraw/zinc/31/83/86/559318386.db2.gz BKYWJXDUCKFENG-OAHLLOKOSA-N -1 3 356.444 2.450 20 5 FEBDHM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000416548924 559321016 /nfs/dbraw/zinc/32/10/16/559321016.db2.gz OZVKXSIHGBODLZ-NSHDSACASA-N -1 3 368.436 2.419 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(C)C ZINC000416615138 559325286 /nfs/dbraw/zinc/32/52/86/559325286.db2.gz GSQRVGSYYQVIDE-AAEUAGOBSA-N -1 3 350.824 2.322 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)[C@H]1CC1(C)C ZINC000416642814 559327151 /nfs/dbraw/zinc/32/71/51/559327151.db2.gz GBXPYTYFJPOOQO-OLZOCXBDSA-N -1 3 370.427 2.484 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000427275769 559751878 /nfs/dbraw/zinc/75/18/78/559751878.db2.gz URHYAWXYXUILMM-BTELXILVSA-N -1 3 374.484 2.261 20 5 FEBDHM COc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1OC ZINC000427953696 559766186 /nfs/dbraw/zinc/76/61/86/559766186.db2.gz 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O=C(c1ccc([O-])cc1)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447681181 560166779 /nfs/dbraw/zinc/16/67/79/560166779.db2.gz WTYPLYVMLCDDLW-UHFFFAOYSA-N -1 3 367.365 2.139 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C13CCC(CC1)CC3)OCCO2 ZINC000451088279 560286359 /nfs/dbraw/zinc/28/63/59/560286359.db2.gz QHJVDMWQTFRHBG-UHFFFAOYSA-N -1 3 368.411 2.367 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000451661735 560320308 /nfs/dbraw/zinc/32/03/08/560320308.db2.gz JCJAHFUXKJUWRM-AWEZNQCLSA-N -1 3 368.386 2.270 20 5 FEBDHM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000451746529 560326180 /nfs/dbraw/zinc/32/61/80/560326180.db2.gz INNGZBRGVQCEQI-NEPJUHHUSA-N -1 3 370.427 2.486 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451822553 560330784 /nfs/dbraw/zinc/33/07/84/560330784.db2.gz KMECFPSQDRIBQL-WFASDCNBSA-N -1 3 372.443 2.333 20 5 FEBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 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QLNJQOLGRWQZIA-LBPRGKRZSA-N -1 3 352.343 2.454 20 5 FEBDHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000467768777 560916806 /nfs/dbraw/zinc/91/68/06/560916806.db2.gz HDDKDYXFJLPDHD-UHFFFAOYSA-N -1 3 356.429 2.189 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(C)o1 ZINC000468771620 560938354 /nfs/dbraw/zinc/93/83/54/560938354.db2.gz BHNWUGQOTFNRLT-SNVBAGLBSA-N -1 3 368.367 2.322 20 5 FEBDHM O=C(NCc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000473627273 561054371 /nfs/dbraw/zinc/05/43/71/561054371.db2.gz FARMMFKNILFIPO-UHFFFAOYSA-N -1 3 352.144 2.388 20 5 FEBDHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccc([N+](=O)[O-])cc1 ZINC000531864572 562459238 /nfs/dbraw/zinc/45/92/38/562459238.db2.gz MJJQGFXZJAJEJL-UHFFFAOYSA-N -1 3 358.397 2.022 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC000531912075 562461176 /nfs/dbraw/zinc/46/11/76/562461176.db2.gz ASRKCMACZOCZCQ-ZDUSSCGKSA-N -1 3 364.379 2.324 20 5 FEBDHM Cc1ncc(S(=O)(=O)[N-]CCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000533634191 562514913 /nfs/dbraw/zinc/51/49/13/562514913.db2.gz QHLSRXDOEBQQKA-UHFFFAOYSA-N -1 3 370.456 2.449 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000533913493 562521126 /nfs/dbraw/zinc/52/11/26/562521126.db2.gz SHTIQHKVPNLHJV-INIZCTEOSA-N -1 3 363.395 2.428 20 5 FEBDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534084127 562524845 /nfs/dbraw/zinc/52/48/45/562524845.db2.gz PUUOWGQFKKVQTF-VIFPVBQESA-N -1 3 364.807 2.258 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000535357389 562556780 /nfs/dbraw/zinc/55/67/80/562556780.db2.gz VSHXBRUXAKNERT-UHFFFAOYSA-N -1 3 369.443 2.006 20 5 FEBDHM CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N(C)C ZINC000568515735 568045837 /nfs/dbraw/zinc/04/58/37/568045837.db2.gz CTCRBPWZUGUNMK-NWDGAFQWSA-N -1 3 359.835 2.071 20 5 FEBDHM O=C([O-])c1cc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000584722804 568518558 /nfs/dbraw/zinc/51/85/58/568518558.db2.gz RFHYRYRKGGHHNA-INIZCTEOSA-N -1 3 371.393 2.472 20 5 FEBDHM COCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1C(=O)OC ZINC000556493777 674404526 /nfs/dbraw/zinc/40/45/26/674404526.db2.gz JGBPXXXVMBTLJP-UHFFFAOYSA-N -1 3 357.369 2.298 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738371626 598975643 /nfs/dbraw/zinc/97/56/43/598975643.db2.gz USZVPXTUMZZDRH-CYBMUJFWSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738371626 598975646 /nfs/dbraw/zinc/97/56/46/598975646.db2.gz USZVPXTUMZZDRH-CYBMUJFWSA-N -1 3 362.296 2.199 20 5 FEBDHM COc1ccccc1O[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821903646 599077589 /nfs/dbraw/zinc/07/75/89/599077589.db2.gz IRSZXCZTLWHLTR-SNVBAGLBSA-N -1 3 371.357 2.058 20 5 FEBDHM COc1ccccc1O[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821903646 599077592 /nfs/dbraw/zinc/07/75/92/599077592.db2.gz IRSZXCZTLWHLTR-SNVBAGLBSA-N -1 3 371.357 2.058 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000822212850 607258546 /nfs/dbraw/zinc/25/85/46/607258546.db2.gz JZPZUMQGHJWLQN-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000822212850 607258547 /nfs/dbraw/zinc/25/85/47/607258547.db2.gz JZPZUMQGHJWLQN-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000823639886 599154046 /nfs/dbraw/zinc/15/40/46/599154046.db2.gz KOZWSXUSYADSCO-UHFFFAOYSA-N -1 3 351.370 2.102 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000823639886 599154049 /nfs/dbraw/zinc/15/40/49/599154049.db2.gz KOZWSXUSYADSCO-UHFFFAOYSA-N -1 3 351.370 2.102 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111586 599182074 /nfs/dbraw/zinc/18/20/74/599182074.db2.gz MLWARVTXNDIAAE-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111586 599182076 /nfs/dbraw/zinc/18/20/76/599182076.db2.gz MLWARVTXNDIAAE-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000737853033 599231685 /nfs/dbraw/zinc/23/16/85/599231685.db2.gz JNFCBPISLPFRBA-UHFFFAOYSA-N -1 3 366.381 2.066 20 5 FEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000737853033 599231686 /nfs/dbraw/zinc/23/16/86/599231686.db2.gz JNFCBPISLPFRBA-UHFFFAOYSA-N -1 3 366.381 2.066 20 5 FEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000823238929 599236557 /nfs/dbraw/zinc/23/65/57/599236557.db2.gz UFECWPJHIBWNMG-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000823238929 599236559 /nfs/dbraw/zinc/23/65/59/599236559.db2.gz UFECWPJHIBWNMG-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM C[C@@H](Cn1cccn1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736082541 599271326 /nfs/dbraw/zinc/27/13/26/599271326.db2.gz VUFKUEBDKUUASJ-JTQLQIEISA-N -1 3 365.357 2.020 20 5 FEBDHM C[C@@H](Cn1cccn1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736082541 599271328 /nfs/dbraw/zinc/27/13/28/599271328.db2.gz VUFKUEBDKUUASJ-JTQLQIEISA-N -1 3 365.357 2.020 20 5 FEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738231403 598290069 /nfs/dbraw/zinc/29/00/69/598290069.db2.gz MJIUJWWAPHRBOW-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738231403 598290071 /nfs/dbraw/zinc/29/00/71/598290071.db2.gz MJIUJWWAPHRBOW-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC000737257367 598339849 /nfs/dbraw/zinc/33/98/49/598339849.db2.gz RNNDAWAXLWLRON-CQSZACIVSA-N -1 3 368.401 2.430 20 5 FEBDHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC000737257367 598339852 /nfs/dbraw/zinc/33/98/52/598339852.db2.gz RNNDAWAXLWLRON-CQSZACIVSA-N -1 3 368.401 2.430 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1csc([N+](=O)[O-])c1 ZINC000738318036 598379594 /nfs/dbraw/zinc/37/95/94/598379594.db2.gz IFHFQVZXIVOAIV-VZUCSPMQSA-N -1 3 368.334 2.181 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1csc([N+](=O)[O-])c1 ZINC000738318036 598379595 /nfs/dbraw/zinc/37/95/95/598379595.db2.gz IFHFQVZXIVOAIV-VZUCSPMQSA-N -1 3 368.334 2.181 20 5 FEBDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737241610 598531176 /nfs/dbraw/zinc/53/11/76/598531176.db2.gz MCBKFDWZILWFOR-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737241610 598531177 /nfs/dbraw/zinc/53/11/77/598531177.db2.gz MCBKFDWZILWFOR-UHFFFAOYSA-N -1 3 354.326 2.023 20 5 FEBDHM COc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737085788 598531195 /nfs/dbraw/zinc/53/11/95/598531195.db2.gz BERMKQWDWGHQDT-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737085788 598531197 /nfs/dbraw/zinc/53/11/97/598531197.db2.gz BERMKQWDWGHQDT-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc2c(c1)CCCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737119734 598673553 /nfs/dbraw/zinc/67/35/53/598673553.db2.gz UPLGXTSHZVHILF-UHFFFAOYSA-N -1 3 367.369 2.131 20 5 FEBDHM COc1ccc2c(c1)CCCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737119734 598673554 /nfs/dbraw/zinc/67/35/54/598673554.db2.gz UPLGXTSHZVHILF-UHFFFAOYSA-N -1 3 367.369 2.131 20 5 FEBDHM CCOC(=O)c1ccnc(Oc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000736602193 599518730 /nfs/dbraw/zinc/51/87/30/599518730.db2.gz IDFTTYQHWITQGK-UHFFFAOYSA-N -1 3 356.298 2.139 20 5 FEBDHM CCOC(=O)c1ccnc(Oc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000736602193 599518729 /nfs/dbraw/zinc/51/87/29/599518729.db2.gz IDFTTYQHWITQGK-UHFFFAOYSA-N -1 3 356.298 2.139 20 5 FEBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCOC1 ZINC000820623139 599554243 /nfs/dbraw/zinc/55/42/43/599554243.db2.gz GGCIMLMVUMQVAE-MRXNPFEDSA-N -1 3 355.358 2.162 20 5 FEBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCOC1 ZINC000820623139 599554244 /nfs/dbraw/zinc/55/42/44/599554244.db2.gz GGCIMLMVUMQVAE-MRXNPFEDSA-N -1 3 355.358 2.162 20 5 FEBDHM C[C@@H](O)C[C@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820473585 599568683 /nfs/dbraw/zinc/56/86/83/599568683.db2.gz HDCDOVUTWGNNHV-VHSXEESVSA-N -1 3 357.374 2.142 20 5 FEBDHM C[C@@H](O)C[C@H](C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820473585 599568684 /nfs/dbraw/zinc/56/86/84/599568684.db2.gz HDCDOVUTWGNNHV-VHSXEESVSA-N -1 3 357.374 2.142 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000821745080 607415767 /nfs/dbraw/zinc/41/57/67/607415767.db2.gz CVHAWLIPOXPZBX-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000821745080 607415768 /nfs/dbraw/zinc/41/57/68/607415768.db2.gz CVHAWLIPOXPZBX-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000821745407 607417178 /nfs/dbraw/zinc/41/71/78/607417178.db2.gz UWTSOSCIHBGZPS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000821745407 607417180 /nfs/dbraw/zinc/41/71/80/607417180.db2.gz UWTSOSCIHBGZPS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826201466 607581932 /nfs/dbraw/zinc/58/19/32/607581932.db2.gz QMDHPROFBGURAX-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000826201466 607581933 /nfs/dbraw/zinc/58/19/33/607581933.db2.gz QMDHPROFBGURAX-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834108875 605817549 /nfs/dbraw/zinc/81/75/49/605817549.db2.gz RXOHQMBXKCVGDE-IAGOWNOFSA-N -1 3 363.414 2.483 20 5 FEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823111430 606142714 /nfs/dbraw/zinc/14/27/14/606142714.db2.gz HTOFRPKXNXORJY-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823111430 606142715 /nfs/dbraw/zinc/14/27/15/606142715.db2.gz HTOFRPKXNXORJY-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823223996 606354950 /nfs/dbraw/zinc/35/49/50/606354950.db2.gz OJFLMGICOFEJNJ-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823223996 606354951 /nfs/dbraw/zinc/35/49/51/606354951.db2.gz OJFLMGICOFEJNJ-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000820995017 606421081 /nfs/dbraw/zinc/42/10/81/606421081.db2.gz MNPUOWHYCJDGHA-OLZOCXBDSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000820995017 606421084 /nfs/dbraw/zinc/42/10/84/606421084.db2.gz MNPUOWHYCJDGHA-OLZOCXBDSA-N -1 3 373.417 2.001 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1cccc(F)c1 ZINC000820462293 606425716 /nfs/dbraw/zinc/42/57/16/606425716.db2.gz XAXJPVUUPKNRLX-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1cccc(F)c1 ZINC000820462293 606425718 /nfs/dbraw/zinc/42/57/18/606425718.db2.gz XAXJPVUUPKNRLX-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823241694 606813290 /nfs/dbraw/zinc/81/32/90/606813290.db2.gz CFVALQAZJHMTRS-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823241694 606813292 /nfs/dbraw/zinc/81/32/92/606813292.db2.gz CFVALQAZJHMTRS-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM COC(C)(C)CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821672697 606951077 /nfs/dbraw/zinc/95/10/77/606951077.db2.gz UYGHJNSLUVPQRM-UHFFFAOYSA-N -1 3 357.374 2.184 20 5 FEBDHM COC(C)(C)CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821672697 606951078 /nfs/dbraw/zinc/95/10/78/606951078.db2.gz UYGHJNSLUVPQRM-UHFFFAOYSA-N -1 3 357.374 2.184 20 5 FEBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376791 607796634 /nfs/dbraw/zinc/79/66/34/607796634.db2.gz NSJBDXUMBOMXFT-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376791 607796635 /nfs/dbraw/zinc/79/66/35/607796635.db2.gz NSJBDXUMBOMXFT-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM Cc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826291327 607863561 /nfs/dbraw/zinc/86/35/61/607863561.db2.gz ABDXGUXMRYULNR-NSHDSACASA-N -1 3 369.337 2.456 20 5 FEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826457164 607932003 /nfs/dbraw/zinc/93/20/03/607932003.db2.gz OEGIEUZRJGUPKJ-UHFFFAOYSA-N -1 3 351.326 2.370 20 5 FEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826457164 607932004 /nfs/dbraw/zinc/93/20/04/607932004.db2.gz OEGIEUZRJGUPKJ-UHFFFAOYSA-N -1 3 351.326 2.370 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(CCOc1ccccc1-c1nnn[n-]1)C2 ZINC000826500451 607943439 /nfs/dbraw/zinc/94/34/39/607943439.db2.gz YTLLOQJPGNZLNY-UHFFFAOYSA-N -1 3 366.381 2.212 20 5 FEBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824679282 607967883 /nfs/dbraw/zinc/96/78/83/607967883.db2.gz RVBKHPHHOSCBGD-MRXNPFEDSA-N -1 3 358.333 2.234 20 5 FEBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824679282 607967884 /nfs/dbraw/zinc/96/78/84/607967884.db2.gz RVBKHPHHOSCBGD-MRXNPFEDSA-N -1 3 358.333 2.234 20 5 FEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826442691 608152052 /nfs/dbraw/zinc/15/20/52/608152052.db2.gz GVVWMBPLWPAANH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826442691 608152054 /nfs/dbraw/zinc/15/20/54/608152054.db2.gz GVVWMBPLWPAANH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000826172436 608351881 /nfs/dbraw/zinc/35/18/81/608351881.db2.gz GPMUSOICQLBIMG-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000826172436 608351882 /nfs/dbraw/zinc/35/18/82/608351882.db2.gz GPMUSOICQLBIMG-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COC1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826143537 608412257 /nfs/dbraw/zinc/41/22/57/608412257.db2.gz DZAQVCURJHHXQR-UHFFFAOYSA-N -1 3 369.385 2.328 20 5 FEBDHM COC1(C)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826143537 608412258 /nfs/dbraw/zinc/41/22/58/608412258.db2.gz DZAQVCURJHHXQR-UHFFFAOYSA-N -1 3 369.385 2.328 20 5 FEBDHM CN(CC1CCOCC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825915424 608440480 /nfs/dbraw/zinc/44/04/80/608440480.db2.gz ZIXVBQWKDPFBDL-UHFFFAOYSA-N -1 3 369.385 2.186 20 5 FEBDHM CN(CC1CCOCC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825915424 608440481 /nfs/dbraw/zinc/44/04/81/608440481.db2.gz ZIXVBQWKDPFBDL-UHFFFAOYSA-N -1 3 369.385 2.186 20 5 FEBDHM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891528 608800430 /nfs/dbraw/zinc/80/04/30/608800430.db2.gz AQPYULMKMNZSKR-VHSXEESVSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891528 608800431 /nfs/dbraw/zinc/80/04/31/608800431.db2.gz AQPYULMKMNZSKR-VHSXEESVSA-N -1 3 355.358 2.303 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)nc1 ZINC000826498892 608866802 /nfs/dbraw/zinc/86/68/02/608866802.db2.gz NMYOCDIEXYBSTK-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)nc1 ZINC000826498892 608866807 /nfs/dbraw/zinc/86/68/07/608866807.db2.gz NMYOCDIEXYBSTK-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM CN(Cc1cc(F)c(F)c(F)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825953194 609171609 /nfs/dbraw/zinc/17/16/09/609171609.db2.gz ADUBDGJLJPYFPB-UHFFFAOYSA-N -1 3 365.275 2.224 20 5 FEBDHM CN(Cc1cc(F)c(F)c(F)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825953194 609171611 /nfs/dbraw/zinc/17/16/11/609171611.db2.gz ADUBDGJLJPYFPB-UHFFFAOYSA-N -1 3 365.275 2.224 20 5 FEBDHM O=[N+]([O-])c1ccc2ncnc(NCc3cc(-c4nnn[n-]4)ccc3F)c2c1 ZINC000826499254 609438988 /nfs/dbraw/zinc/43/89/88/609438988.db2.gz BFFOHKMGMQOHPQ-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=[N+]([O-])c1ccc2ncnc(NCc3cc(-c4nn[n-]n4)ccc3F)c2c1 ZINC000826499254 609438989 /nfs/dbraw/zinc/43/89/89/609438989.db2.gz BFFOHKMGMQOHPQ-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM Cn1c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826355431 609614636 /nfs/dbraw/zinc/61/46/36/609614636.db2.gz ZDJAVJZTPGEQNC-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826355431 609614637 /nfs/dbraw/zinc/61/46/37/609614637.db2.gz ZDJAVJZTPGEQNC-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000053690894 670326143 /nfs/dbraw/zinc/32/61/43/670326143.db2.gz RRZXNPOXCRQVQQ-UHFFFAOYSA-N -1 3 367.402 2.144 20 5 FEBDHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000579959761 671773352 /nfs/dbraw/zinc/77/33/52/671773352.db2.gz DYIJGIDVSAJEAB-CABZTGNLSA-N -1 3 350.824 2.324 20 5 FEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000610891923 676004063 /nfs/dbraw/zinc/00/40/63/676004063.db2.gz CLFMPXRAPKKVCL-UHFFFAOYSA-N -1 3 354.160 2.331 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589105779 672506472 /nfs/dbraw/zinc/50/64/72/672506472.db2.gz WRQLNPFAKHMYOP-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593571702 672947539 /nfs/dbraw/zinc/94/75/39/672947539.db2.gz AGUISDABEFLBGL-JSGCOSHPSA-N -1 3 357.432 2.252 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)nc1 ZINC000593577534 672949084 /nfs/dbraw/zinc/94/90/84/672949084.db2.gz KRYIDOWQBYCLHX-HIFRSBDPSA-N -1 3 363.395 2.188 20 5 FEBDHM O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N-]C(=O)c1cccs1 ZINC000725936194 673098869 /nfs/dbraw/zinc/09/88/69/673098869.db2.gz VMJSDYZSIRDOOC-UHFFFAOYSA-N -1 3 370.289 2.048 20 5 FEBDHM C[C@@H]1C[C@@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750481 673129079 /nfs/dbraw/zinc/12/90/79/673129079.db2.gz JCSOFTLWBDUYNB-CHWSQXEVSA-N -1 3 370.475 2.025 20 5 FEBDHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595380729 673238217 /nfs/dbraw/zinc/23/82/17/673238217.db2.gz BLGKXDDSRNCKPN-XHDPSFHLSA-N -1 3 368.386 2.177 20 5 FEBDHM CC(=O)NCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000542121254 673562818 /nfs/dbraw/zinc/56/28/18/673562818.db2.gz VLUGFTLXICXGNG-UHFFFAOYSA-N -1 3 369.424 2.440 20 5 FEBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000738404462 673620890 /nfs/dbraw/zinc/62/08/90/673620890.db2.gz WDDCRANBDZOSJU-UHFFFAOYSA-N -1 3 362.161 2.157 20 5 FEBDHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000543253226 673636238 /nfs/dbraw/zinc/63/62/38/673636238.db2.gz HENWXHRHCIWMFQ-RKDXNWHRSA-N -1 3 364.807 2.114 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000547373544 673846784 /nfs/dbraw/zinc/84/67/84/673846784.db2.gz NKWZSLLPFYXAPG-UHFFFAOYSA-N -1 3 363.757 2.000 20 5 FEBDHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1 ZINC000745998340 673860477 /nfs/dbraw/zinc/86/04/77/673860477.db2.gz PAUGCEOWRFLGIM-UHFFFAOYSA-N -1 3 373.749 2.287 20 5 FEBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccnn1C ZINC000615946701 676234673 /nfs/dbraw/zinc/23/46/73/676234673.db2.gz DWDUPCWAIZKXJQ-GFCCVEGCSA-N -1 3 370.406 2.186 20 5 FEBDHM CC[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000616461281 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561219214 /nfs/dbraw/zinc/21/92/14/561219214.db2.gz GNUODGPCMZWLIU-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000480918639 561220286 /nfs/dbraw/zinc/22/02/86/561220286.db2.gz ABOFPKGCQODGBU-GFCCVEGCSA-N -1 3 363.395 2.209 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC000481242838 561228754 /nfs/dbraw/zinc/22/87/54/561228754.db2.gz QAIJLLNBCWOYSH-WDEREUQCSA-N -1 3 356.400 2.096 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C ZINC000481499911 561234285 /nfs/dbraw/zinc/23/42/85/561234285.db2.gz OEAINXYVEGRDKP-LLVKDONJSA-N -1 3 360.432 2.069 20 5 FEBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182476883 547500052 /nfs/dbraw/zinc/50/00/52/547500052.db2.gz GOTJCNFTNSTWNP-SECBINFHSA-N -1 3 350.824 2.324 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000184431450 547825425 /nfs/dbraw/zinc/82/54/25/547825425.db2.gz 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FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c(Cl)c1 ZINC000375116954 557980204 /nfs/dbraw/zinc/98/02/04/557980204.db2.gz ZTHMDUMFPVOGQV-UHFFFAOYSA-N -1 3 370.818 2.260 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000522880261 562205369 /nfs/dbraw/zinc/20/53/69/562205369.db2.gz SWLIQWBRHYMKCV-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)c(Cl)c1 ZINC000386195188 558607213 /nfs/dbraw/zinc/60/72/13/558607213.db2.gz QPLIWNUQUMNWDU-ZDUSSCGKSA-N -1 3 362.835 2.468 20 5 FEBDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000388807812 558609388 /nfs/dbraw/zinc/60/93/88/558609388.db2.gz QNCNMDVBDGQJLT-GXFFZTMASA-N -1 3 356.400 2.238 20 5 FEBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455292 559314126 /nfs/dbraw/zinc/31/41/26/559314126.db2.gz UIJVUUSZXRRIFQ-UHFFFAOYSA-N -1 3 370.349 2.441 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000416458024 559314430 /nfs/dbraw/zinc/31/44/30/559314430.db2.gz PCVDUOAPEXCPIK-JTQLQIEISA-N -1 3 368.333 2.461 20 5 FEBDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])cn1C ZINC000416459545 559314499 /nfs/dbraw/zinc/31/44/99/559314499.db2.gz SERAFYURUAWEDR-NSHDSACASA-N -1 3 352.416 2.491 20 5 FEBDHM CCc1nnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000416482948 559316554 /nfs/dbraw/zinc/31/65/54/559316554.db2.gz HRXCMAZKUDHBDM-UHFFFAOYSA-N -1 3 356.429 2.104 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1)OCCO2 ZINC000416510207 559318887 /nfs/dbraw/zinc/31/88/87/559318887.db2.gz HRLMYIXGPHKTOL-INIZCTEOSA-N -1 3 368.411 2.223 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)[nH]2)c1C ZINC000416540312 559320601 /nfs/dbraw/zinc/32/06/01/559320601.db2.gz GXJIHPBKUZFXBE-UHFFFAOYSA-N -1 3 367.431 2.106 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)C(C)C ZINC000416547523 559321042 /nfs/dbraw/zinc/32/10/42/559321042.db2.gz LWWHRWHRVMETKN-UKRRQHHQSA-N -1 3 356.400 2.094 20 5 FEBDHM C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569389 559322402 /nfs/dbraw/zinc/32/24/02/559322402.db2.gz YAZUILZJNZGODY-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM CN1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569389 559322403 /nfs/dbraw/zinc/32/24/03/559322403.db2.gz YAZUILZJNZGODY-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000416614729 559325366 /nfs/dbraw/zinc/32/53/66/559325366.db2.gz STGZALUXUFRWJK-LLVKDONJSA-N -1 3 374.415 2.158 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000416651262 559327586 /nfs/dbraw/zinc/32/75/86/559327586.db2.gz CZWQLXUINZMRGA-CYBMUJFWSA-N -1 3 372.443 2.213 20 5 FEBDHM COC(=O)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)Cc1ccc([O-])c(F)c1 ZINC000420641599 559494779 /nfs/dbraw/zinc/49/47/79/559494779.db2.gz UPJAFKVVWREHIC-LBPRGKRZSA-N -1 3 363.345 2.587 20 5 FEBDHM CCc1cc(C(=O)OC)c([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])s1 ZINC000425643342 559712736 /nfs/dbraw/zinc/71/27/36/559712736.db2.gz CTIHCFKOSYKGNT-UHFFFAOYSA-N -1 3 352.372 2.474 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1Cc2cccc(O)c2C1 ZINC000428381021 559774376 /nfs/dbraw/zinc/77/43/76/559774376.db2.gz MBHAEAUMHOVFIZ-LLVKDONJSA-N -1 3 368.798 2.400 20 5 FEBDHM C[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000429640916 559802785 /nfs/dbraw/zinc/80/27/85/559802785.db2.gz PXVBGTOMFZXPGX-MRVPVSSYSA-N -1 3 355.301 2.812 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1 ZINC000430002539 559810933 /nfs/dbraw/zinc/81/09/33/559810933.db2.gz GQINYPMRQTXGBQ-NWDGAFQWSA-N -1 3 361.217 2.434 20 5 FEBDHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C2CC2)no1 ZINC000432260111 559855068 /nfs/dbraw/zinc/85/50/68/559855068.db2.gz WBSMRFXHHMGLBD-OAHLLOKOSA-N -1 3 366.399 2.198 20 5 FEBDHM Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000432294707 559855721 /nfs/dbraw/zinc/85/57/21/559855721.db2.gz SQDDKTXKXGDSDB-HNNXBMFYSA-N -1 3 366.399 2.031 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436650102 559947769 /nfs/dbraw/zinc/94/77/69/559947769.db2.gz UVAUBFCXLOTJAK-AWEZNQCLSA-N -1 3 357.366 2.119 20 5 FEBDHM CN(C)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000436972487 559958018 /nfs/dbraw/zinc/95/80/18/559958018.db2.gz SYWZJEIPYICGHY-UHFFFAOYSA-N -1 3 355.394 2.129 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000439221767 559990385 /nfs/dbraw/zinc/99/03/85/559990385.db2.gz IGPZQYGQIKRNAI-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1O ZINC000443158121 560073108 /nfs/dbraw/zinc/07/31/08/560073108.db2.gz NHADPDYMMMZRHM-UHFFFAOYSA-N -1 3 352.368 2.096 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443262611 560076746 /nfs/dbraw/zinc/07/67/46/560076746.db2.gz NWYICZSEDIXPKS-LBPRGKRZSA-N -1 3 372.349 2.193 20 5 FEBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443327395 560079894 /nfs/dbraw/zinc/07/98/94/560079894.db2.gz GIYXZZBHGSXWRU-ZJUUUORDSA-N -1 3 350.824 2.324 20 5 FEBDHM O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2c(nc[n-]c2=O)C1 ZINC000444303854 560108779 /nfs/dbraw/zinc/10/87/79/560108779.db2.gz VOVGLVXAKDHFMH-UHFFFAOYSA-N -1 3 372.384 2.375 20 5 FEBDHM Cc1nc(C)n(Cc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC000445007554 560126601 /nfs/dbraw/zinc/12/66/01/560126601.db2.gz ZCCLPYHWPQWKCB-UHFFFAOYSA-N -1 3 368.353 2.204 20 5 FEBDHM COc1cc(C(=O)[N-]c2nnc3cc(C)ccn32)c([N+](=O)[O-])cc1OC ZINC000446648192 560148881 /nfs/dbraw/zinc/14/88/81/560148881.db2.gz KOTXMTXTGRRIRC-UHFFFAOYSA-N -1 3 357.326 2.215 20 5 FEBDHM Cn1cc([C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000449456508 560230709 /nfs/dbraw/zinc/23/07/09/560230709.db2.gz CTWALHZCTFZBSM-QGZVFWFLSA-N -1 3 372.425 2.430 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000451822325 560330847 /nfs/dbraw/zinc/33/08/47/560330847.db2.gz JYVHDJLFLNBOMA-WFASDCNBSA-N -1 3 372.443 2.333 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451855478 560332648 /nfs/dbraw/zinc/33/26/48/560332648.db2.gz OVHMINFQVQVWLU-SWLSCSKDSA-N -1 3 374.846 2.324 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451855913 560332723 /nfs/dbraw/zinc/33/27/23/560332723.db2.gz PAAGIFYAQMPRJT-RISCZKNCSA-N -1 3 360.457 2.040 20 5 FEBDHM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000452044854 560347510 /nfs/dbraw/zinc/34/75/10/560347510.db2.gz HSCISYQEMXFRSL-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000452046975 560347585 /nfs/dbraw/zinc/34/75/85/560347585.db2.gz MDTBZSFWXDIPBA-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c(F)c1 ZINC000461794454 560783995 /nfs/dbraw/zinc/78/39/95/560783995.db2.gz GFMGWRHUKMZLJQ-LBPRGKRZSA-N -1 3 360.407 2.201 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461793301 560784076 /nfs/dbraw/zinc/78/40/76/560784076.db2.gz DBZWNEHYGIPSAF-CQSZACIVSA-N -1 3 356.444 2.370 20 5 FEBDHM Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c(F)cc1[N+](=O)[O-] ZINC000461931971 560788474 /nfs/dbraw/zinc/78/84/74/560788474.db2.gz AAJVZKPQZGGIAY-UHFFFAOYSA-N -1 3 359.404 2.494 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466521591 560888820 /nfs/dbraw/zinc/88/88/20/560888820.db2.gz YQVJVOPCVBJXLG-LBPRGKRZSA-N -1 3 368.342 2.155 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)cc1[N+](=O)[O-] ZINC000467051000 560902305 /nfs/dbraw/zinc/90/23/05/560902305.db2.gz YXELVNASFZJAEQ-UHFFFAOYSA-N -1 3 352.397 2.091 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000467061471 560902692 /nfs/dbraw/zinc/90/26/92/560902692.db2.gz AVYMYCJIBKSFRA-GFCCVEGCSA-N -1 3 356.425 2.019 20 5 FEBDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469163442 560948812 /nfs/dbraw/zinc/94/88/12/560948812.db2.gz VJAIWOXXJOSORG-MFKMUULPSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)C1 ZINC000469217303 560950317 /nfs/dbraw/zinc/95/03/17/560950317.db2.gz GHWTWCPACSOOFE-WDEREUQCSA-N -1 3 356.400 2.238 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000474215556 561068508 /nfs/dbraw/zinc/06/85/08/561068508.db2.gz JBGBRJVTRBFTKB-UHFFFAOYSA-N -1 3 366.395 2.099 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1O ZINC000533552397 562512742 /nfs/dbraw/zinc/51/27/42/562512742.db2.gz DLCLAVDVWIPPSY-UHFFFAOYSA-N -1 3 352.368 2.096 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000533916639 562521259 /nfs/dbraw/zinc/52/12/59/562521259.db2.gz ONERFMKZHXTCRQ-INIZCTEOSA-N -1 3 363.395 2.428 20 5 FEBDHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000534819747 562543110 /nfs/dbraw/zinc/54/31/10/562543110.db2.gz WVIDDPKBQAYIQL-GFCCVEGCSA-N -1 3 358.416 2.222 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000535143176 562551920 /nfs/dbraw/zinc/55/19/20/562551920.db2.gz OQAWQQJKQGBNDN-BSNNYGBQSA-N -1 3 368.436 2.372 20 5 FEBDHM COc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1[N+](=O)[O-] ZINC000541140121 562604238 /nfs/dbraw/zinc/60/42/38/562604238.db2.gz NKFYJUOGJSRIHX-UHFFFAOYSA-N -1 3 350.356 2.382 20 5 FEBDHM O=C(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Nc1ccccc1 ZINC000737846526 598830437 /nfs/dbraw/zinc/83/04/37/598830437.db2.gz CEIKEEOOBVQOGU-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM O=C(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Nc1ccccc1 ZINC000737846526 598830439 /nfs/dbraw/zinc/83/04/39/598830439.db2.gz CEIKEEOOBVQOGU-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822492055 599047036 /nfs/dbraw/zinc/04/70/36/599047036.db2.gz PNRRROITAOGRGP-VIFPVBQESA-N -1 3 356.390 2.168 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822492055 599047039 /nfs/dbraw/zinc/04/70/39/599047039.db2.gz PNRRROITAOGRGP-VIFPVBQESA-N -1 3 356.390 2.168 20 5 FEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820281097 599069790 /nfs/dbraw/zinc/06/97/90/599069790.db2.gz QTDMOIHUBCOZFN-VIFPVBQESA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820281097 599069788 /nfs/dbraw/zinc/06/97/88/599069788.db2.gz QTDMOIHUBCOZFN-VIFPVBQESA-N -1 3 359.321 2.188 20 5 FEBDHM O=[N+]([O-])c1c(NCc2cc(-c3nnn[n-]3)ccc2F)nc2sccn21 ZINC000823629920 599071440 /nfs/dbraw/zinc/07/14/40/599071440.db2.gz MBJYLFVKJCPCDC-UHFFFAOYSA-N -1 3 360.334 2.235 20 5 FEBDHM O=[N+]([O-])c1c(NCc2cc(-c3nn[n-]n3)ccc2F)nc2sccn21 ZINC000823629920 599071443 /nfs/dbraw/zinc/07/14/43/599071443.db2.gz MBJYLFVKJCPCDC-UHFFFAOYSA-N -1 3 360.334 2.235 20 5 FEBDHM CCc1ccc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736689139 599156542 /nfs/dbraw/zinc/15/65/42/599156542.db2.gz DROFGWXOYLBUGH-UHFFFAOYSA-N -1 3 353.338 2.485 20 5 FEBDHM CCc1ccc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736689139 599156545 /nfs/dbraw/zinc/15/65/45/599156545.db2.gz DROFGWXOYLBUGH-UHFFFAOYSA-N -1 3 353.338 2.485 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000738099618 598316703 /nfs/dbraw/zinc/31/67/03/598316703.db2.gz IHIVNPMIBJVQLD-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000738099618 598316705 /nfs/dbraw/zinc/31/67/05/598316705.db2.gz IHIVNPMIBJVQLD-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000736801213 598367725 /nfs/dbraw/zinc/36/77/25/598367725.db2.gz UDNNKIFVXFICBF-UHFFFAOYSA-N -1 3 363.378 2.054 20 5 FEBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000736801213 598367726 /nfs/dbraw/zinc/36/77/26/598367726.db2.gz UDNNKIFVXFICBF-UHFFFAOYSA-N -1 3 363.378 2.054 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccccc1[N+](=O)[O-] ZINC000738319311 598381227 /nfs/dbraw/zinc/38/12/27/598381227.db2.gz NRXLLMZTSGHNDT-LCYFTJDESA-N -1 3 362.305 2.119 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccccc1[N+](=O)[O-] ZINC000738319311 598381229 /nfs/dbraw/zinc/38/12/29/598381229.db2.gz NRXLLMZTSGHNDT-LCYFTJDESA-N -1 3 362.305 2.119 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ccccc2N2CCCC2)c(-c2nnn[n-]2)c1 ZINC000738373867 598499714 /nfs/dbraw/zinc/49/97/14/598499714.db2.gz ITLMLTPFSUVCRM-UHFFFAOYSA-N -1 3 366.385 2.382 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ccccc2N2CCCC2)c(-c2nn[n-]n2)c1 ZINC000738373867 598499715 /nfs/dbraw/zinc/49/97/15/598499715.db2.gz ITLMLTPFSUVCRM-UHFFFAOYSA-N -1 3 366.385 2.382 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(-c4nnn[n-]4)ccc3F)n2)c1 ZINC000738367522 598538696 /nfs/dbraw/zinc/53/86/96/598538696.db2.gz ULAZJCVMRMXMQC-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(-c4nn[n-]n4)ccc3F)n2)c1 ZINC000738367522 598538698 /nfs/dbraw/zinc/53/86/98/598538698.db2.gz ULAZJCVMRMXMQC-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738222280 598583737 /nfs/dbraw/zinc/58/37/37/598583737.db2.gz NNEUYNYUCMUJCI-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738222280 598583739 /nfs/dbraw/zinc/58/37/39/598583739.db2.gz NNEUYNYUCMUJCI-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000738367531 598594385 /nfs/dbraw/zinc/59/43/85/598594385.db2.gz UYWREUJLYMSNDX-UHFFFAOYSA-N -1 3 371.313 2.174 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000738367531 598594387 /nfs/dbraw/zinc/59/43/87/598594387.db2.gz UYWREUJLYMSNDX-UHFFFAOYSA-N -1 3 371.313 2.174 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000821749267 607378659 /nfs/dbraw/zinc/37/86/59/607378659.db2.gz DGEBPAZIPIMIRC-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000821749267 607378661 /nfs/dbraw/zinc/37/86/61/607378661.db2.gz DGEBPAZIPIMIRC-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808573365 674463488 /nfs/dbraw/zinc/46/34/88/674463488.db2.gz RRORXGJFNKBIBG-UHFFFAOYSA-N -1 3 359.148 2.169 20 5 FEBDHM CCOC(=O)c1ccnc(Sc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000736603497 599520438 /nfs/dbraw/zinc/52/04/38/599520438.db2.gz XMZPEVFETNSFLC-UHFFFAOYSA-N -1 3 372.366 2.498 20 5 FEBDHM CCOC(=O)c1ccnc(Sc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736603497 599520440 /nfs/dbraw/zinc/52/04/40/599520440.db2.gz XMZPEVFETNSFLC-UHFFFAOYSA-N -1 3 372.366 2.498 20 5 FEBDHM O=[N+]([O-])c1ccc(Oc2ccc(-n3cncn3)cc2)c(-c2nnn[n-]2)c1 ZINC000738367508 599527404 /nfs/dbraw/zinc/52/74/04/599527404.db2.gz SZLGFPOKLBOHPX-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM O=[N+]([O-])c1ccc(Oc2ccc(-n3cncn3)cc2)c(-c2nn[n-]n2)c1 ZINC000738367508 599527406 /nfs/dbraw/zinc/52/74/06/599527406.db2.gz SZLGFPOKLBOHPX-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM CCC[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821009440 599551970 /nfs/dbraw/zinc/55/19/70/599551970.db2.gz RIQUMJFHCCJKKE-INIZCTEOSA-N -1 3 357.374 2.286 20 5 FEBDHM CCC[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821009440 599551972 /nfs/dbraw/zinc/55/19/72/599551972.db2.gz RIQUMJFHCCJKKE-INIZCTEOSA-N -1 3 357.374 2.286 20 5 FEBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C[C@H](C)O ZINC000820473586 599568655 /nfs/dbraw/zinc/56/86/55/599568655.db2.gz HDCDOVUTWGNNHV-ZJUUUORDSA-N -1 3 357.374 2.142 20 5 FEBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C[C@H](C)O ZINC000820473586 599568656 /nfs/dbraw/zinc/56/86/56/599568656.db2.gz HDCDOVUTWGNNHV-ZJUUUORDSA-N -1 3 357.374 2.142 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647875 599580962 /nfs/dbraw/zinc/58/09/62/599580962.db2.gz OWNLPBNZXIXVLJ-CYBMUJFWSA-N -1 3 351.370 2.239 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647875 599580964 /nfs/dbraw/zinc/58/09/64/599580964.db2.gz OWNLPBNZXIXVLJ-CYBMUJFWSA-N -1 3 351.370 2.239 20 5 FEBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817533 607440222 /nfs/dbraw/zinc/44/02/22/607440222.db2.gz KHFKKZUCMWYFHG-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817533 607440223 /nfs/dbraw/zinc/44/02/23/607440223.db2.gz KHFKKZUCMWYFHG-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM O=C([O-])[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566626036 601546996 /nfs/dbraw/zinc/54/69/96/601546996.db2.gz VNGAVCZPFVXMLM-QAPCUYQASA-N -1 3 372.377 2.019 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000740152787 601972817 /nfs/dbraw/zinc/97/28/17/601972817.db2.gz LCKROIFHCQRMRW-AWEZNQCLSA-N -1 3 364.402 2.306 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498125 607739380 /nfs/dbraw/zinc/73/93/80/607739380.db2.gz IGPBOYLEFBLFOK-UHFFFAOYSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(C3CCOCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498125 607739381 /nfs/dbraw/zinc/73/93/81/607739381.db2.gz IGPBOYLEFBLFOK-UHFFFAOYSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@H]1Cc1ccccc1 ZINC000823630502 606428169 /nfs/dbraw/zinc/42/81/69/606428169.db2.gz YYANVMYAGDVLLR-OAHLLOKOSA-N -1 3 366.381 2.223 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@H]1Cc1ccccc1 ZINC000823630502 606428171 /nfs/dbraw/zinc/42/81/71/606428171.db2.gz YYANVMYAGDVLLR-OAHLLOKOSA-N -1 3 366.381 2.223 20 5 FEBDHM CCOC(=O)c1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1C ZINC000821337164 606720720 /nfs/dbraw/zinc/72/07/20/606720720.db2.gz BSRCWVXYPBCGPK-UHFFFAOYSA-N -1 3 357.330 2.034 20 5 FEBDHM CCOC(=O)c1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1C ZINC000821337164 606720722 /nfs/dbraw/zinc/72/07/22/606720722.db2.gz BSRCWVXYPBCGPK-UHFFFAOYSA-N -1 3 357.330 2.034 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CC[C@H](O)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499267 607810591 /nfs/dbraw/zinc/81/05/91/607810591.db2.gz BSNQTGQWCMYLFN-HOMQSWHASA-N -1 3 355.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CC[C@H](O)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499267 607810592 /nfs/dbraw/zinc/81/05/92/607810592.db2.gz BSNQTGQWCMYLFN-HOMQSWHASA-N -1 3 355.358 2.039 20 5 FEBDHM Cc1csc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826321161 607841469 /nfs/dbraw/zinc/84/14/69/607841469.db2.gz SHGQGKUZVHSSKP-ZDUSSCGKSA-N -1 3 373.398 2.118 20 5 FEBDHM CCc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000825716944 607876922 /nfs/dbraw/zinc/87/69/22/607876922.db2.gz DYNFBVXFGWVHLU-HNNXBMFYSA-N -1 3 355.354 2.450 20 5 FEBDHM CCc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000825716944 607876923 /nfs/dbraw/zinc/87/69/23/607876923.db2.gz DYNFBVXFGWVHLU-HNNXBMFYSA-N -1 3 355.354 2.450 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2nnn[n-]2)c1 ZINC000826498737 607937965 /nfs/dbraw/zinc/93/79/65/607937965.db2.gz HPHVUYMIVNRIFP-UHFFFAOYSA-N -1 3 367.325 2.246 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2nn[n-]n2)c1 ZINC000826498737 607937966 /nfs/dbraw/zinc/93/79/66/607937966.db2.gz HPHVUYMIVNRIFP-UHFFFAOYSA-N -1 3 367.325 2.246 20 5 FEBDHM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1O ZINC000826179604 608076375 /nfs/dbraw/zinc/07/63/75/608076375.db2.gz WARBLXFWMTYWCV-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1O ZINC000826179604 608076376 /nfs/dbraw/zinc/07/63/76/608076376.db2.gz WARBLXFWMTYWCV-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)ccc1[N+](=O)[O-] ZINC000826177811 608446517 /nfs/dbraw/zinc/44/65/17/608446517.db2.gz WOTGLCPMVOKEAE-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)ccc1[N+](=O)[O-] ZINC000826177811 608446518 /nfs/dbraw/zinc/44/65/18/608446518.db2.gz WOTGLCPMVOKEAE-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000559970959 674562391 /nfs/dbraw/zinc/56/23/91/674562391.db2.gz UNUUDKRLIZYOPJ-UHFFFAOYSA-N -1 3 362.411 2.322 20 5 FEBDHM CC(C)(CCc1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)[N+](=O)[O-] ZINC000812811692 674700259 /nfs/dbraw/zinc/70/02/59/674700259.db2.gz FUUOYRFNRHMRQQ-UHFFFAOYSA-N -1 3 354.388 2.096 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000814987836 674893247 /nfs/dbraw/zinc/89/32/47/674893247.db2.gz FYXUOQDQNQGJIQ-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010722 674895236 /nfs/dbraw/zinc/89/52/36/674895236.db2.gz XEPSYVYGMAFLMO-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc([O-])cc1 ZINC000816887894 675084261 /nfs/dbraw/zinc/08/42/61/675084261.db2.gz USDBAOMHXJARRN-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000576399236 671365959 /nfs/dbraw/zinc/36/59/59/671365959.db2.gz JCSZQTYFGNGGLG-UHFFFAOYSA-N -1 3 365.411 2.466 20 5 FEBDHM O=C([N-]c1nn2cnnc2s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610966651 676007869 /nfs/dbraw/zinc/00/78/69/676007869.db2.gz KRYLMISZKVDGOC-UHFFFAOYSA-N -1 3 358.261 2.365 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)cc1 ZINC000611019547 676011402 /nfs/dbraw/zinc/01/14/02/676011402.db2.gz KJJGXVKHYZRXNC-OAHLLOKOSA-N -1 3 372.349 2.026 20 5 FEBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862790 672486646 /nfs/dbraw/zinc/48/66/46/672486646.db2.gz SWBMHZVYYUKVBZ-IUCAKERBSA-N -1 3 364.383 2.150 20 5 FEBDHM C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862757 672486690 /nfs/dbraw/zinc/48/66/90/672486690.db2.gz SLLWWJPOSRTRFR-IUCAKERBSA-N -1 3 364.383 2.150 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cs1 ZINC000590589438 672593325 /nfs/dbraw/zinc/59/33/25/672593325.db2.gz WFXOSAADNMEXSP-UHFFFAOYSA-N -1 3 359.404 2.328 20 5 FEBDHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547461 672939631 /nfs/dbraw/zinc/93/96/31/672939631.db2.gz PVRAOVMACLMLST-RISCZKNCSA-N -1 3 357.432 2.109 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)c(F)c1 ZINC000510442320 673344800 /nfs/dbraw/zinc/34/48/00/673344800.db2.gz JKYUJUKHGFMJHH-GFCCVEGCSA-N -1 3 366.370 2.406 20 5 FEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000734895579 673476017 /nfs/dbraw/zinc/47/60/17/673476017.db2.gz FZQBRHVXMSDCPU-UHFFFAOYSA-N -1 3 360.709 2.489 20 5 FEBDHM CC(C)(C)n1nnc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000597633470 673494766 /nfs/dbraw/zinc/49/47/66/673494766.db2.gz ZTTRLMOLLSUHOS-UHFFFAOYSA-N -1 3 369.179 2.351 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c(F)c1 ZINC000599464782 673679114 /nfs/dbraw/zinc/67/91/14/673679114.db2.gz SUORCOXWGBMFAC-CYBMUJFWSA-N -1 3 357.407 2.029 20 5 FEBDHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000545996659 673786122 /nfs/dbraw/zinc/78/61/22/673786122.db2.gz RIOYLJGOGXDWOA-UHFFFAOYSA-N -1 3 358.807 2.195 20 5 FEBDHM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000763396299 680782130 /nfs/dbraw/zinc/78/21/30/680782130.db2.gz FKKDLBDDGXFADI-VIFPVBQESA-N -1 3 364.807 2.114 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206604 680835335 /nfs/dbraw/zinc/83/53/35/680835335.db2.gz BYAXDBFBVAEXDS-BXKDBHETSA-N -1 3 359.835 2.009 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c(Cl)c1 ZINC000758436626 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COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(N(C)C)c1 ZINC000133533464 544274203 /nfs/dbraw/zinc/27/42/03/544274203.db2.gz ZKZTXFITPLAHHV-UHFFFAOYSA-N -1 3 365.411 2.148 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000133014765 544252568 /nfs/dbraw/zinc/25/25/68/544252568.db2.gz WHMGTAZCKBTXCL-UHFFFAOYSA-N -1 3 357.297 2.211 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135574601 544354006 /nfs/dbraw/zinc/35/40/06/544354006.db2.gz PXTYOOGOIOKLPE-UHFFFAOYSA-N -1 3 367.369 2.139 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135574601 544354008 /nfs/dbraw/zinc/35/40/08/544354008.db2.gz PXTYOOGOIOKLPE-UHFFFAOYSA-N -1 3 367.369 2.139 20 5 FEBDHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553547167 674269931 /nfs/dbraw/zinc/26/99/31/674269931.db2.gz JSUBYLBHGCIXPE-ZETCQYMHSA-N -1 3 356.231 2.130 20 5 FEBDHM C[S@@](=O)Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000185667250 327927101 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CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000121093662 326312687 /nfs/dbraw/zinc/31/26/87/326312687.db2.gz WKCZVXIGMLMNLM-UHFFFAOYSA-N -1 3 354.326 2.426 20 5 FEBDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000121700537 326359381 /nfs/dbraw/zinc/35/93/81/326359381.db2.gz QUBSVWJCRZSVAJ-UHFFFAOYSA-N -1 3 350.824 2.325 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)cc1C ZINC000124840736 326460960 /nfs/dbraw/zinc/46/09/60/326460960.db2.gz VABVIHMYORNQAD-JKSUJKDBSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000124884932 326461834 /nfs/dbraw/zinc/46/18/34/326461834.db2.gz NLOYMDUBTQQNTB-LLVKDONJSA-N -1 3 350.462 2.288 20 5 FEBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124897651 326462037 /nfs/dbraw/zinc/46/20/37/326462037.db2.gz SGMSADMGYWRDSD-UHFFFAOYSA-N -1 3 350.462 2.432 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCO1 ZINC000162761736 327034216 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2.374 20 5 FEBDHM CC(C)(C)n1cnc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC000291069720 552583323 /nfs/dbraw/zinc/58/33/23/552583323.db2.gz FBHUQJVXLKTNMF-UHFFFAOYSA-N -1 3 361.358 2.355 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(C)C)C1(CO)CCC1 ZINC000292192245 552703061 /nfs/dbraw/zinc/70/30/61/552703061.db2.gz GAMGONOFWYJDQS-OAHLLOKOSA-N -1 3 372.443 2.069 20 5 FEBDHM COc1cc(C(=O)[N-]c2nc3c(s2)CN(C)CC3)c([N+](=O)[O-])cc1F ZINC000294400144 552903232 /nfs/dbraw/zinc/90/32/32/552903232.db2.gz JEKLSFGYMSAPLQ-UHFFFAOYSA-N -1 3 366.374 2.439 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000295314816 552985885 /nfs/dbraw/zinc/98/58/85/552985885.db2.gz PDCDELVMFWGDHM-VIFPVBQESA-N -1 3 350.824 2.244 20 5 FEBDHM CC(C)(CCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)[N+](=O)[O-] ZINC000296042700 553094975 /nfs/dbraw/zinc/09/49/75/553094975.db2.gz QSGDMGYNFMEOHI-UHFFFAOYSA-N -1 3 354.388 2.096 20 5 FEBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 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YDKFLIOVTCQCQP-NWDGAFQWSA-N -1 3 370.427 2.486 20 5 FEBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000507094696 561717370 /nfs/dbraw/zinc/71/73/70/561717370.db2.gz NHJFAQAOBXCVMR-NSHDSACASA-N -1 3 357.370 2.316 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000331044274 554205632 /nfs/dbraw/zinc/20/56/32/554205632.db2.gz FCBDRXZZWKXYAQ-UHFFFAOYSA-N -1 3 374.390 2.197 20 5 FEBDHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000510019041 561822249 /nfs/dbraw/zinc/82/22/49/561822249.db2.gz VNKNDNCUSHWHOZ-UHFFFAOYSA-N -1 3 356.338 2.472 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CC2)c1C ZINC000510434462 561834545 /nfs/dbraw/zinc/83/45/45/561834545.db2.gz DMOXMVHFSFPORF-CQSZACIVSA-N -1 3 364.427 2.375 20 5 FEBDHM CN(C)CCOc1cccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000511482433 561870487 /nfs/dbraw/zinc/87/04/87/561870487.db2.gz PFTXVJVJJOXCDY-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365659153 555634210 /nfs/dbraw/zinc/63/42/10/555634210.db2.gz FSQULSKXBBHXBB-UHFFFAOYSA-N -1 3 353.294 2.110 20 5 FEBDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 ZINC000515558991 562015138 /nfs/dbraw/zinc/01/51/38/562015138.db2.gz GMCWVGBJBRUTDG-CQSZACIVSA-N -1 3 362.407 2.494 20 5 FEBDHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1ccccc1[N+](=O)[O-])c2=O ZINC000515569620 562015368 /nfs/dbraw/zinc/01/53/68/562015368.db2.gz WFGDNJIFBHWVQG-UHFFFAOYSA-N -1 3 353.334 2.375 20 5 FEBDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000368852153 556429469 /nfs/dbraw/zinc/42/94/69/556429469.db2.gz UQDHXBZKAZFHNM-LBPRGKRZSA-N -1 3 364.379 2.406 20 5 FEBDHM O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000369177117 556526109 /nfs/dbraw/zinc/52/61/09/556526109.db2.gz OUBDRHIYVRGBCK-UHFFFAOYSA-N -1 3 374.382 2.163 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000371070840 557065852 /nfs/dbraw/zinc/06/58/52/557065852.db2.gz XRQBJKLWIQJLII-KCPJHIHWSA-N -1 3 370.427 2.085 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000518690764 562116472 /nfs/dbraw/zinc/11/64/72/562116472.db2.gz IDRYIWKGNSZDBP-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1nc(C(C)C)no1 ZINC000523674362 562217412 /nfs/dbraw/zinc/21/74/12/562217412.db2.gz KIMUCIWHZGRXHG-UHFFFAOYSA-N -1 3 368.415 2.321 20 5 FEBDHM O=C(NC1CCN(CCc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000378553711 558581362 /nfs/dbraw/zinc/58/13/62/558581362.db2.gz POBMUCFPEDOECM-UHFFFAOYSA-N -1 3 370.409 2.132 20 5 FEBDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000388807820 558609402 /nfs/dbraw/zinc/60/94/02/558609402.db2.gz QNCNMDVBDGQJLT-ZWNOBZJWSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000395736853 558622831 /nfs/dbraw/zinc/62/28/31/558622831.db2.gz RJQPCPRYEMDCPD-AWEZNQCLSA-N -1 3 368.411 2.383 20 5 FEBDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC ZINC000395700524 558622840 /nfs/dbraw/zinc/62/28/40/558622840.db2.gz GTXOCVGPVAJJSN-YMTOWFKASA-N -1 3 358.416 2.078 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403778756 558630827 /nfs/dbraw/zinc/63/08/27/558630827.db2.gz FRWYIKJKKLWJNP-UTUOFQBUSA-N -1 3 368.411 2.096 20 5 FEBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000412382859 559032220 /nfs/dbraw/zinc/03/22/20/559032220.db2.gz IBHGJDKCUZAVOO-CQSZACIVSA-N -1 3 370.409 2.290 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000416372843 559308339 /nfs/dbraw/zinc/30/83/39/559308339.db2.gz PKRLTHLCCVXAJQ-SECBINFHSA-N -1 3 368.333 2.319 20 5 FEBDHM COC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416409207 559310821 /nfs/dbraw/zinc/31/08/21/559310821.db2.gz UJONTPUFNRSAJI-UHFFFAOYSA-N -1 3 356.322 2.317 20 5 FEBDHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000416482503 559316458 /nfs/dbraw/zinc/31/64/58/559316458.db2.gz YJWMPQOYBJFBLH-UHFFFAOYSA-N -1 3 354.388 2.117 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416485210 559316808 /nfs/dbraw/zinc/31/68/08/559316808.db2.gz ZYDUGAMUZKURCH-VIFPVBQESA-N -1 3 356.322 2.317 20 5 FEBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000416552139 559321288 /nfs/dbraw/zinc/32/12/88/559321288.db2.gz BGCYXDAZDUZBPF-CHWSQXEVSA-N -1 3 360.819 2.484 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000416592434 559323789 /nfs/dbraw/zinc/32/37/89/559323789.db2.gz KZGFEQWNMRMMPF-BONVTDFDSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)c1C ZINC000416620032 559325599 /nfs/dbraw/zinc/32/55/99/559325599.db2.gz GKNMAEQDJHAAGZ-MFKMUULPSA-N -1 3 364.370 2.039 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)NC)ccc2Cl)n1 ZINC000427268626 559751744 /nfs/dbraw/zinc/75/17/44/559751744.db2.gz YPXABAGHKISXIO-UHFFFAOYSA-N -1 3 351.750 2.077 20 5 FEBDHM Cn1[n-]c(=NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000429625562 559802500 /nfs/dbraw/zinc/80/25/00/559802500.db2.gz DPQGYTWEURNRCL-UHFFFAOYSA-N -1 3 369.328 2.987 20 5 FEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000435636685 559926993 /nfs/dbraw/zinc/92/69/93/559926993.db2.gz MCBPXDGBWWEICN-UHFFFAOYSA-N -1 3 351.384 2.039 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000439199843 559990028 /nfs/dbraw/zinc/99/00/28/559990028.db2.gz HJBJDJGUCWLVGK-OAHLLOKOSA-N -1 3 358.416 2.115 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1O ZINC000443159521 560073139 /nfs/dbraw/zinc/07/31/39/560073139.db2.gz AVMLDTCSSFNBBU-UHFFFAOYSA-N -1 3 366.395 2.404 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1O ZINC000443172855 560073423 /nfs/dbraw/zinc/07/34/23/560073423.db2.gz YUHOQFICWSWONS-UHFFFAOYSA-N -1 3 372.786 2.441 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000443277872 560077606 /nfs/dbraw/zinc/07/76/06/560077606.db2.gz WOPIHDUXOLDAGT-ZDUSSCGKSA-N -1 3 354.359 2.054 20 5 FEBDHM COc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c([O-])c1 ZINC000443559606 560087196 /nfs/dbraw/zinc/08/71/96/560087196.db2.gz OIJRLSZZYJQTOI-UHFFFAOYSA-N -1 3 369.337 2.450 20 5 FEBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443555895 560087396 /nfs/dbraw/zinc/08/73/96/560087396.db2.gz CVPNTVKOJKVCJL-LLVKDONJSA-N -1 3 363.374 2.180 20 5 FEBDHM CCOC(=O)c1nc(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)n[n-]1 ZINC000443958440 560097335 /nfs/dbraw/zinc/09/73/35/560097335.db2.gz FZBOMXVZCXOJMG-UHFFFAOYSA-N -1 3 374.401 2.285 20 5 FEBDHM CCOC(=O)c1nnc(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)[n-]1 ZINC000443958440 560097336 /nfs/dbraw/zinc/09/73/36/560097336.db2.gz FZBOMXVZCXOJMG-UHFFFAOYSA-N -1 3 374.401 2.285 20 5 FEBDHM CCOC(=O)c1n[n-]c(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)n1 ZINC000443958440 560097337 /nfs/dbraw/zinc/09/73/37/560097337.db2.gz FZBOMXVZCXOJMG-UHFFFAOYSA-N -1 3 374.401 2.285 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccncc2OC)c([N+](=O)[O-])c1 ZINC000445696807 560133913 /nfs/dbraw/zinc/13/39/13/560133913.db2.gz KOYAUVOOZWZSKR-JTQLQIEISA-N -1 3 367.383 2.047 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000446491175 560146559 /nfs/dbraw/zinc/14/65/59/560146559.db2.gz UXKFIDPOYHARGM-UHFFFAOYSA-N -1 3 358.354 2.160 20 5 FEBDHM CN(C)[C@H]1CCOc2c(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cccc21 ZINC000447725061 560167972 /nfs/dbraw/zinc/16/79/72/560167972.db2.gz ZJFFSHSURXFTKW-ZDUSSCGKSA-N -1 3 358.354 2.333 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000451825288 560331070 /nfs/dbraw/zinc/33/10/70/560331070.db2.gz QMAMIXQRNHUNEU-MRVPVSSYSA-N -1 3 368.333 2.456 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451855929 560332701 /nfs/dbraw/zinc/33/27/01/560332701.db2.gz PBNIXQKZPLSZMT-CZUORRHYSA-N -1 3 374.459 2.171 20 5 FEBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000456183748 560509993 /nfs/dbraw/zinc/50/99/93/560509993.db2.gz IYEQCZSCWOVTHI-UHFFFAOYSA-N -1 3 360.374 2.229 20 5 FEBDHM O=C([N-]c1nc2c(s1)CC1(CCOCC1)CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000456532111 560523533 /nfs/dbraw/zinc/52/35/33/560523533.db2.gz FRLBUTYFELABRM-UHFFFAOYSA-N -1 3 363.399 2.312 20 5 FEBDHM C[C@]1(c2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)NC(=O)[N-]C1=O ZINC000466308890 560884047 /nfs/dbraw/zinc/88/40/47/560884047.db2.gz QTMUTVWNJPKEIP-QGZVFWFLSA-N -1 3 372.312 2.041 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467071049 560902857 /nfs/dbraw/zinc/90/28/57/560902857.db2.gz RFEPRYJXWDXVSF-NSHDSACASA-N -1 3 360.388 2.116 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000467074226 560903066 /nfs/dbraw/zinc/90/30/66/560903066.db2.gz UIJJQMIAFYMSGS-ZETCQYMHSA-N -1 3 359.433 2.246 20 5 FEBDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467081163 560903130 /nfs/dbraw/zinc/90/31/30/560903130.db2.gz LACFWMBNDVFYGP-NSHDSACASA-N -1 3 374.440 2.484 20 5 FEBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000467781489 560917185 /nfs/dbraw/zinc/91/71/85/560917185.db2.gz FDFYCKCEXBZURM-ZDUSSCGKSA-N -1 3 360.432 2.333 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)cc1C ZINC000470767404 560989323 /nfs/dbraw/zinc/98/93/23/560989323.db2.gz UOXCDDMRPQNNNM-LBPRGKRZSA-N -1 3 358.416 2.078 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C)cc1C ZINC000470767403 560989336 /nfs/dbraw/zinc/98/93/36/560989336.db2.gz UOXCDDMRPQNNNM-GFCCVEGCSA-N -1 3 358.416 2.078 20 5 FEBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cccc1NC(=O)N(C)C ZINC000473554113 561052571 /nfs/dbraw/zinc/05/25/71/561052571.db2.gz QQZBRQXLWYYSOQ-UHFFFAOYSA-N -1 3 359.342 2.350 20 5 FEBDHM O=C(NCc1ncccc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000473632111 561054541 /nfs/dbraw/zinc/05/45/41/561054541.db2.gz XHJZVHFJDLVWGQ-UHFFFAOYSA-N -1 3 356.382 2.228 20 5 FEBDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000474775168 561082544 /nfs/dbraw/zinc/08/25/44/561082544.db2.gz MMHLGQINCALOEL-UHFFFAOYSA-N -1 3 361.310 2.057 20 5 FEBDHM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000475833420 561106545 /nfs/dbraw/zinc/10/65/45/561106545.db2.gz XJUNEZDOJIGSSA-UHFFFAOYSA-N -1 3 351.359 2.449 20 5 FEBDHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534084126 562524852 /nfs/dbraw/zinc/52/48/52/562524852.db2.gz PUUOWGQFKKVQTF-SECBINFHSA-N -1 3 364.807 2.258 20 5 FEBDHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000534705736 562540709 /nfs/dbraw/zinc/54/07/09/562540709.db2.gz SFBDODNIGWILDX-LLVKDONJSA-N -1 3 363.301 2.276 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)c1[N+](=O)[O-] ZINC000549885621 562640804 /nfs/dbraw/zinc/64/08/04/562640804.db2.gz XIMVLBZJUKZVAX-INIZCTEOSA-N -1 3 356.444 2.431 20 5 FEBDHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000568622920 568100041 /nfs/dbraw/zinc/10/00/41/568100041.db2.gz HUXUBITUBLMIPY-GXTWGEPZSA-N -1 3 372.443 2.035 20 5 FEBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000738366134 599160179 /nfs/dbraw/zinc/16/01/79/599160179.db2.gz DRISRQZESASUSK-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000738366134 599160180 /nfs/dbraw/zinc/16/01/80/599160180.db2.gz DRISRQZESASUSK-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737373231 598279458 /nfs/dbraw/zinc/27/94/58/598279458.db2.gz QMWKMGNRVUILLR-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737373231 598279459 /nfs/dbraw/zinc/27/94/59/598279459.db2.gz QMWKMGNRVUILLR-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM CC(C)c1ncc2c(n1)CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000735942285 598375493 /nfs/dbraw/zinc/37/54/93/598375493.db2.gz HLTPNWVKBVUTJH-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM CC(C)c1ncc2c(n1)CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000735942285 598375495 /nfs/dbraw/zinc/37/54/95/598375495.db2.gz HLTPNWVKBVUTJH-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000738371662 598387333 /nfs/dbraw/zinc/38/73/33/598387333.db2.gz WDSMHLSROZQNDS-UHFFFAOYSA-N -1 3 360.765 2.347 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000738371662 598387335 /nfs/dbraw/zinc/38/73/35/598387335.db2.gz WDSMHLSROZQNDS-UHFFFAOYSA-N -1 3 360.765 2.347 20 5 FEBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736748682 598569686 /nfs/dbraw/zinc/56/96/86/598569686.db2.gz JPHFQBGQZAPKDQ-UHFFFAOYSA-N -1 3 360.280 2.330 20 5 FEBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736748682 598569688 /nfs/dbraw/zinc/56/96/88/598569688.db2.gz JPHFQBGQZAPKDQ-UHFFFAOYSA-N -1 3 360.280 2.330 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(F)cc3-c3nnn[n-]3)n2)cc1 ZINC000738361746 598646829 /nfs/dbraw/zinc/64/68/29/598646829.db2.gz ZPQLMHXUEGGTBM-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(F)cc3-c3nn[n-]n3)n2)cc1 ZINC000738361746 598646831 /nfs/dbraw/zinc/64/68/31/598646831.db2.gz ZPQLMHXUEGGTBM-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000738234919 598710568 /nfs/dbraw/zinc/71/05/68/598710568.db2.gz HWEVLUQUVXQZAJ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000738234919 598710570 /nfs/dbraw/zinc/71/05/70/598710570.db2.gz HWEVLUQUVXQZAJ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736297859 598735547 /nfs/dbraw/zinc/73/55/47/598735547.db2.gz NQPXMJRDCIFUJP-MRVPVSSYSA-N -1 3 356.367 2.428 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736297859 598735548 /nfs/dbraw/zinc/73/55/48/598735548.db2.gz NQPXMJRDCIFUJP-MRVPVSSYSA-N -1 3 356.367 2.428 20 5 FEBDHM C[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736155147 598774170 /nfs/dbraw/zinc/77/41/70/598774170.db2.gz IPFIIGINFNDBIN-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736155147 598774171 /nfs/dbraw/zinc/77/41/71/598774171.db2.gz IPFIIGINFNDBIN-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736506238 599311536 /nfs/dbraw/zinc/31/15/36/599311536.db2.gz ZAWTZKKEBCTKCX-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736506238 599311539 /nfs/dbraw/zinc/31/15/39/599311539.db2.gz ZAWTZKKEBCTKCX-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000736892670 599322479 /nfs/dbraw/zinc/32/24/79/599322479.db2.gz OTAQPHWBIUPZHN-AWEZNQCLSA-N -1 3 368.353 2.144 20 5 FEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000736892670 599322480 /nfs/dbraw/zinc/32/24/80/599322480.db2.gz OTAQPHWBIUPZHN-AWEZNQCLSA-N -1 3 368.353 2.144 20 5 FEBDHM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000823651460 599394297 /nfs/dbraw/zinc/39/42/97/599394297.db2.gz KOBAUVKMPWRUKW-UHFFFAOYSA-N -1 3 358.339 2.092 20 5 FEBDHM C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820373167 599411870 /nfs/dbraw/zinc/41/18/70/599411870.db2.gz FSRHLZBRBDEIBH-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820373167 599411872 /nfs/dbraw/zinc/41/18/72/599411872.db2.gz FSRHLZBRBDEIBH-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374889 599425068 /nfs/dbraw/zinc/42/50/68/599425068.db2.gz SMIUXKHJRHLLGE-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374889 599425069 /nfs/dbraw/zinc/42/50/69/599425069.db2.gz SMIUXKHJRHLLGE-NSHDSACASA-N -1 3 367.369 2.335 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000821749334 607377358 /nfs/dbraw/zinc/37/73/58/607377358.db2.gz HIZXRXKNCWRIFR-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000821749334 607377360 /nfs/dbraw/zinc/37/73/60/607377360.db2.gz HIZXRXKNCWRIFR-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826206345 607387579 /nfs/dbraw/zinc/38/75/79/607387579.db2.gz OMUWLAYJFHRHHQ-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826206345 607387581 /nfs/dbraw/zinc/38/75/81/607387581.db2.gz OMUWLAYJFHRHHQ-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CNc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826091019 607404576 /nfs/dbraw/zinc/40/45/76/607404576.db2.gz VBGAKFNXDRSLGA-UHFFFAOYSA-N -1 3 368.353 2.482 20 5 FEBDHM CNc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826091019 607404578 /nfs/dbraw/zinc/40/45/78/607404578.db2.gz VBGAKFNXDRSLGA-UHFFFAOYSA-N -1 3 368.353 2.482 20 5 FEBDHM COc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826193065 607479895 /nfs/dbraw/zinc/47/98/95/607479895.db2.gz OIJRZJDLYFSSRP-UHFFFAOYSA-N -1 3 354.370 2.416 20 5 FEBDHM COc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826193065 607479896 /nfs/dbraw/zinc/47/98/96/607479896.db2.gz OIJRZJDLYFSSRP-UHFFFAOYSA-N -1 3 354.370 2.416 20 5 FEBDHM CCCCN(C)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817124 674512051 /nfs/dbraw/zinc/51/20/51/674512051.db2.gz SNTGOBBBYZAABX-UHFFFAOYSA-N -1 3 367.830 2.398 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000826243555 607661590 /nfs/dbraw/zinc/66/15/90/607661590.db2.gz MGUZOVCVUVWXCC-UHFFFAOYSA-N -1 3 352.354 2.356 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000826243555 607661592 /nfs/dbraw/zinc/66/15/92/607661592.db2.gz MGUZOVCVUVWXCC-UHFFFAOYSA-N -1 3 352.354 2.356 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC2([C@@H](O)c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501090 607735310 /nfs/dbraw/zinc/73/53/10/607735310.db2.gz ZBYQDTKBOXJHCR-AWEZNQCLSA-N -1 3 367.369 2.096 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC2([C@@H](O)c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826501090 607735311 /nfs/dbraw/zinc/73/53/11/607735311.db2.gz ZBYQDTKBOXJHCR-AWEZNQCLSA-N -1 3 367.369 2.096 20 5 FEBDHM C[S@@](=O)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821941358 606430737 /nfs/dbraw/zinc/43/07/37/606430737.db2.gz FFPAGKYISSMGNB-RUZDIDTESA-N -1 3 358.383 2.124 20 5 FEBDHM C[S@@](=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821941358 606430738 /nfs/dbraw/zinc/43/07/38/606430738.db2.gz FFPAGKYISSMGNB-RUZDIDTESA-N -1 3 358.383 2.124 20 5 FEBDHM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823409939 606562794 /nfs/dbraw/zinc/56/27/94/606562794.db2.gz OHZJXAXNENFMHM-UHFFFAOYSA-N -1 3 361.339 2.072 20 5 FEBDHM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823409939 606562795 /nfs/dbraw/zinc/56/27/95/606562795.db2.gz OHZJXAXNENFMHM-UHFFFAOYSA-N -1 3 361.339 2.072 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440385 606566453 /nfs/dbraw/zinc/56/64/53/606566453.db2.gz QQVDFHIHRHUPII-UHFFFAOYSA-N -1 3 372.322 2.335 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440385 606566455 /nfs/dbraw/zinc/56/64/55/606566455.db2.gz QQVDFHIHRHUPII-UHFFFAOYSA-N -1 3 372.322 2.335 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000820456542 606645606 /nfs/dbraw/zinc/64/56/06/606645606.db2.gz VFBDNPKOEDDLRW-SNVBAGLBSA-N -1 3 353.342 2.214 20 5 FEBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820152121 606799323 /nfs/dbraw/zinc/79/93/23/606799323.db2.gz SXUJPQIGSFDWIG-UHFFFAOYSA-N -1 3 369.341 2.209 20 5 FEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823098857 606813193 /nfs/dbraw/zinc/81/31/93/606813193.db2.gz SXPQRKWNNSFCGP-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823098857 606813195 /nfs/dbraw/zinc/81/31/95/606813195.db2.gz SXPQRKWNNSFCGP-UHFFFAOYSA-N -1 3 372.772 2.287 20 5 FEBDHM COC(=O)c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821669610 607006581 /nfs/dbraw/zinc/00/65/81/607006581.db2.gz UKGOWICIBWXYDG-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821669610 607006583 /nfs/dbraw/zinc/00/65/83/607006583.db2.gz UKGOWICIBWXYDG-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823414071 607083398 /nfs/dbraw/zinc/08/33/98/607083398.db2.gz RQCOCZOQBAJZTJ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823414071 607083400 /nfs/dbraw/zinc/08/34/00/607083400.db2.gz RQCOCZOQBAJZTJ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498172 607936875 /nfs/dbraw/zinc/93/68/75/607936875.db2.gz JSYAKQIDXDWOHP-XJKSGUPXSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498172 607936876 /nfs/dbraw/zinc/93/68/76/607936876.db2.gz JSYAKQIDXDWOHP-XJKSGUPXSA-N -1 3 370.344 2.226 20 5 FEBDHM Cc1ccnc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1[N+](=O)[O-] ZINC000826311416 608051967 /nfs/dbraw/zinc/05/19/67/608051967.db2.gz DMBMIJOGCUBSPD-AWEZNQCLSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1ccnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1[N+](=O)[O-] ZINC000826311416 608051968 /nfs/dbraw/zinc/05/19/68/608051968.db2.gz DMBMIJOGCUBSPD-AWEZNQCLSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cnc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000826319184 608053189 /nfs/dbraw/zinc/05/31/89/608053189.db2.gz RCEYZWLMHYBBKY-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000826319184 608053190 /nfs/dbraw/zinc/05/31/90/608053190.db2.gz RCEYZWLMHYBBKY-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM O=C(C[C@@H]1CCCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403910 608160342 /nfs/dbraw/zinc/16/03/42/608160342.db2.gz IAHBKBDKLMOFJF-VIFPVBQESA-N -1 3 366.765 2.326 20 5 FEBDHM O=C(C[C@@H]1CCCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403910 608160343 /nfs/dbraw/zinc/16/03/43/608160343.db2.gz IAHBKBDKLMOFJF-VIFPVBQESA-N -1 3 366.765 2.326 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1C=O ZINC000826172950 608262479 /nfs/dbraw/zinc/26/24/79/608262479.db2.gz FWSMAMTVHRORLJ-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])cc1C=O ZINC000826172950 608262481 /nfs/dbraw/zinc/26/24/81/608262481.db2.gz FWSMAMTVHRORLJ-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000826173036 608263834 /nfs/dbraw/zinc/26/38/34/608263834.db2.gz KFUZVQJPLAKJQY-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000826173036 608263836 /nfs/dbraw/zinc/26/38/36/608263836.db2.gz KFUZVQJPLAKJQY-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCCn3ccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000826499225 608365366 /nfs/dbraw/zinc/36/53/66/608365366.db2.gz AAWWJEFXCKFZJE-UHFFFAOYSA-N -1 3 365.357 2.022 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCCn3ccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000826499225 608365368 /nfs/dbraw/zinc/36/53/68/608365368.db2.gz AAWWJEFXCKFZJE-UHFFFAOYSA-N -1 3 365.357 2.022 20 5 FEBDHM CCN(C[C@H]1CCCO1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825415927 608374055 /nfs/dbraw/zinc/37/40/55/608374055.db2.gz FUFYUUBGJSYBLX-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM CCN(C[C@H]1CCCO1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825415927 608374056 /nfs/dbraw/zinc/37/40/56/608374056.db2.gz FUFYUUBGJSYBLX-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM Cc1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000826326380 608667374 /nfs/dbraw/zinc/66/73/74/608667374.db2.gz NENOYTRDRPSYOH-JTQLQIEISA-N -1 3 355.358 2.144 20 5 FEBDHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000826326380 608667378 /nfs/dbraw/zinc/66/73/78/608667378.db2.gz NENOYTRDRPSYOH-JTQLQIEISA-N -1 3 355.358 2.144 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778259955 609312051 /nfs/dbraw/zinc/31/20/51/609312051.db2.gz FUAXGCQHKIVLAT-UHFFFAOYSA-N -1 3 374.307 2.183 20 5 FEBDHM Cc1noc(C2(C)CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000826339791 609315407 /nfs/dbraw/zinc/31/54/07/609315407.db2.gz UDIOAYZOQNQRFH-UHFFFAOYSA-N -1 3 370.373 2.024 20 5 FEBDHM Cc1noc(C2(C)CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000826339791 609315410 /nfs/dbraw/zinc/31/54/10/609315410.db2.gz UDIOAYZOQNQRFH-UHFFFAOYSA-N -1 3 370.373 2.024 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826293315 609467162 /nfs/dbraw/zinc/46/71/62/609467162.db2.gz KTFDUHKAUZTDTD-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826293315 609467165 /nfs/dbraw/zinc/46/71/65/609467165.db2.gz KTFDUHKAUZTDTD-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM CC(COC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)[N+](=O)[O-] ZINC000813110577 674721059 /nfs/dbraw/zinc/72/10/59/674721059.db2.gz DTZQADLSLYCWPJ-JTQLQIEISA-N -1 3 370.408 2.371 20 5 FEBDHM CCN1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814986518 674892439 /nfs/dbraw/zinc/89/24/39/674892439.db2.gz QQRCADZVQFQQRQ-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000565568886 675132869 /nfs/dbraw/zinc/13/28/69/675132869.db2.gz NCGGVZDIALTRDC-CYBMUJFWSA-N -1 3 362.835 2.324 20 5 FEBDHM Cc1nonc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000170799462 672325603 /nfs/dbraw/zinc/32/56/03/672325603.db2.gz MZBCUACJDSAESW-UHFFFAOYSA-N -1 3 374.094 2.143 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccn1 ZINC000176662916 672375930 /nfs/dbraw/zinc/37/59/30/672375930.db2.gz LJCASNZMDZLPIR-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCc1cc(=O)[nH][n-]1 ZINC000588875718 672487762 /nfs/dbraw/zinc/48/77/62/672487762.db2.gz CFIQKLSZZMOTJV-UHFFFAOYSA-N -1 3 370.818 2.113 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194332170 672756598 /nfs/dbraw/zinc/75/65/98/672756598.db2.gz IMIBTKAVHUWETD-AWEZNQCLSA-N -1 3 367.402 2.315 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000612174426 676072168 /nfs/dbraw/zinc/07/21/68/676072168.db2.gz KRLRRGUGWPIJQF-UONOGXRCSA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)n1 ZINC000593551595 672940357 /nfs/dbraw/zinc/94/03/57/672940357.db2.gz AKGUEINBSVDTQB-LBPRGKRZSA-N -1 3 354.413 2.184 20 5 FEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000593553788 672941363 /nfs/dbraw/zinc/94/13/63/672941363.db2.gz PMOIJMFTEGTDQJ-QWHCGFSZSA-N -1 3 355.416 2.006 20 5 FEBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccnc1 ZINC000593556866 672942173 /nfs/dbraw/zinc/94/21/73/672942173.db2.gz AGHJWYWRZBUCSG-AWEZNQCLSA-N -1 3 350.400 2.103 20 5 FEBDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593570788 672946653 /nfs/dbraw/zinc/94/66/53/672946653.db2.gz LCTGXAKCZZCVLP-LBPRGKRZSA-N -1 3 365.411 2.156 20 5 FEBDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593571700 672947479 /nfs/dbraw/zinc/94/74/79/672947479.db2.gz AGUISDABEFLBGL-GXTWGEPZSA-N -1 3 357.432 2.252 20 5 FEBDHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000594476567 673083212 /nfs/dbraw/zinc/08/32/12/673083212.db2.gz SFVRFFIQVAGSLM-UHFFFAOYSA-N -1 3 353.375 2.267 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000733868948 673441451 /nfs/dbraw/zinc/44/14/51/673441451.db2.gz RCROLEAFFVJFAW-UHFFFAOYSA-N -1 3 365.411 2.466 20 5 FEBDHM CSc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000538970554 673468794 /nfs/dbraw/zinc/46/87/94/673468794.db2.gz YOPQAIDHJKAGMH-UHFFFAOYSA-N -1 3 357.388 2.329 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1F ZINC000598620744 673591475 /nfs/dbraw/zinc/59/14/75/673591475.db2.gz ZRUHJMWGWZOWOE-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000546175447 673795165 /nfs/dbraw/zinc/79/51/65/673795165.db2.gz BIYGOAWBPFWMEH-ZDUSSCGKSA-N -1 3 350.327 2.340 20 5 FEBDHM O=[N+]([O-])c1ncccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000619651860 676389455 /nfs/dbraw/zinc/38/94/55/676389455.db2.gz GRSLPSUMXUKWDS-UHFFFAOYSA-N -1 3 374.781 2.173 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000757746834 680535009 /nfs/dbraw/zinc/53/50/09/680535009.db2.gz DKSDZOYVTNNJFZ-UHFFFAOYSA-N -1 3 356.367 2.267 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCc2ccccc2[N+](=O)[O-])cc1 ZINC000759440794 680649394 /nfs/dbraw/zinc/64/93/94/680649394.db2.gz BRULOSMRNQRWCA-UHFFFAOYSA-N -1 3 364.379 2.366 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccncc2Br)cs1 ZINC000768864303 680962216 /nfs/dbraw/zinc/96/22/16/680962216.db2.gz OUGLBNCWKFFVIL-UHFFFAOYSA-N -1 3 364.202 2.037 20 5 FEBDHM CCc1ccc(S(=O)(=O)[N-][C@](C)(COC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000842802535 680967962 /nfs/dbraw/zinc/96/79/62/680967962.db2.gz CADRMERHRVYGPX-GFCCVEGCSA-N -1 3 370.349 2.403 20 5 FEBDHM CC(=O)Nc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)cc1F ZINC000770293878 681012191 /nfs/dbraw/zinc/01/21/91/681012191.db2.gz VWCUQMURIWEFCZ-UHFFFAOYSA-N -1 3 352.253 2.184 20 5 FEBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775913292 681348139 /nfs/dbraw/zinc/34/81/39/681348139.db2.gz CTWCSCMTVKOWIA-VURMDHGXSA-N -1 3 355.276 2.451 20 5 FEBDHM COC(=O)Nc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1F ZINC000776429033 681390674 /nfs/dbraw/zinc/39/06/74/681390674.db2.gz CHHKEENVXIALDW-UHFFFAOYSA-N -1 3 350.262 2.265 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000776434589 681391583 /nfs/dbraw/zinc/39/15/83/681391583.db2.gz XAWMRXUJGMQYKN-UHFFFAOYSA-N -1 3 370.774 2.489 20 5 FEBDHM C[C@](O)(C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000848583241 681582546 /nfs/dbraw/zinc/58/25/46/681582546.db2.gz AGHLYWRGBUWSOG-AWEZNQCLSA-N -1 3 356.281 2.183 20 5 FEBDHM CN(C)CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCC1 ZINC000795974119 683113785 /nfs/dbraw/zinc/11/37/85/683113785.db2.gz BLRSSWLQJQNEKN-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000921612808 683520999 /nfs/dbraw/zinc/52/09/99/683520999.db2.gz WHJBMLMEQADJMA-UMNHJUIQSA-N -1 3 358.803 2.118 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000921621655 683523746 /nfs/dbraw/zinc/52/37/46/683523746.db2.gz CNXHQYJMTZXUKU-IONNQARKSA-N -1 3 354.306 2.080 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921860560 683597634 /nfs/dbraw/zinc/59/76/34/683597634.db2.gz MJCYDNDHNINVAG-SKDRFNHKSA-N -1 3 368.333 2.149 20 5 FEBDHM Cc1cc(=O)[n-]c(N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000886656488 688287420 /nfs/dbraw/zinc/28/74/20/688287420.db2.gz HIEZHWJWTIOTEV-UHFFFAOYSA-N -1 3 363.805 2.374 20 5 FEBDHM CCCn1c(=O)[n-]nc1SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000011650957 539531630 /nfs/dbraw/zinc/53/16/30/539531630.db2.gz JRNHQZSIGZJDGP-UHFFFAOYSA-N -1 3 351.388 2.057 20 5 FEBDHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033870333 539975832 /nfs/dbraw/zinc/97/58/32/539975832.db2.gz FHNHJJMQKAKGOF-CYBMUJFWSA-N -1 3 370.427 2.385 20 5 FEBDHM Cc1c(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cccc1[N+](=O)[O-] ZINC000046411481 540255941 /nfs/dbraw/zinc/25/59/41/540255941.db2.gz RAESTISHVTZNIA-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1sc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1[N+](=O)[O-] ZINC000047167701 540293423 /nfs/dbraw/zinc/29/34/23/540293423.db2.gz OTCZGBYKHOCJPO-INIZCTEOSA-N -1 3 374.378 2.272 20 5 FEBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056409861 540724515 /nfs/dbraw/zinc/72/45/15/540724515.db2.gz QNPRJMOALHAQHO-UHFFFAOYSA-N -1 3 353.331 2.358 20 5 FEBDHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057282399 540785378 /nfs/dbraw/zinc/78/53/78/540785378.db2.gz ADLQFTZHDXRZAQ-NSHDSACASA-N -1 3 363.395 2.457 20 5 FEBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000063772803 541185259 /nfs/dbraw/zinc/18/52/59/541185259.db2.gz PEOQICUWOPUAQV-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064851347 541219519 /nfs/dbraw/zinc/21/95/19/541219519.db2.gz ZGZRBIJZHRGYRH-JTQLQIEISA-N -1 3 369.424 2.270 20 5 FEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000068940300 541642830 /nfs/dbraw/zinc/64/28/30/541642830.db2.gz IOGJQHCRTHWSCI-UHFFFAOYSA-N -1 3 358.322 2.230 20 5 FEBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC000091430910 542807172 /nfs/dbraw/zinc/80/71/72/542807172.db2.gz ANJBFVCTGMVVQF-LSDHHAIUSA-N -1 3 359.338 2.374 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000101571322 543034140 /nfs/dbraw/zinc/03/41/40/543034140.db2.gz UWOZCOCOZWXEBK-UHFFFAOYSA-N -1 3 355.460 2.446 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000126260810 543926708 /nfs/dbraw/zinc/92/67/08/543926708.db2.gz PWSKINDEYJZDDS-GXSJLCMTSA-N -1 3 359.835 2.152 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000125620359 543892765 /nfs/dbraw/zinc/89/27/65/543892765.db2.gz YNLJUHSLNBHOEL-UHFFFAOYSA-N -1 3 371.802 2.309 20 5 FEBDHM Cc1nc(C)c(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(=O)[n-]1 ZINC000129562132 544118055 /nfs/dbraw/zinc/11/80/55/544118055.db2.gz HTCAUQYYZPUDID-UHFFFAOYSA-N -1 3 356.382 2.029 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000129719628 544124749 /nfs/dbraw/zinc/12/47/49/544124749.db2.gz CSIJFPDPPGNKTO-LBPRGKRZSA-N -1 3 373.394 2.215 20 5 FEBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000129973212 544133947 /nfs/dbraw/zinc/13/39/47/544133947.db2.gz YOUDATQYDXVFKG-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM Cc1cccc2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000129973212 544133948 /nfs/dbraw/zinc/13/39/48/544133948.db2.gz YOUDATQYDXVFKG-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000130928281 544170853 /nfs/dbraw/zinc/17/08/53/544170853.db2.gz XJXVKSRSQNQWRY-LBPRGKRZSA-N -1 3 359.423 2.133 20 5 FEBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134543258 544312343 /nfs/dbraw/zinc/31/23/43/544312343.db2.gz CBXDCMYCUCDEIW-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134543258 544312344 /nfs/dbraw/zinc/31/23/44/544312344.db2.gz CBXDCMYCUCDEIW-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1C ZINC000152192831 544623597 /nfs/dbraw/zinc/62/35/97/544623597.db2.gz XENVXRPFQWQXBK-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000153983156 544848175 /nfs/dbraw/zinc/84/81/75/544848175.db2.gz KHKRSPKXUFXYRE-INIZCTEOSA-N -1 3 368.386 2.061 20 5 FEBDHM C[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000187171038 328006564 /nfs/dbraw/zinc/00/65/64/328006564.db2.gz VHOWZTDTZHVFDN-CZUORRHYSA-N -1 3 370.409 2.478 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)c1[N+](=O)[O-] ZINC000189989301 328180902 /nfs/dbraw/zinc/18/09/02/328180902.db2.gz IGUYOSTZODHUNB-CQSZACIVSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000189986924 328180947 /nfs/dbraw/zinc/18/09/47/328180947.db2.gz YNZKYXIZNQNFNA-AWEZNQCLSA-N -1 3 350.396 2.224 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000190065553 328185375 /nfs/dbraw/zinc/18/53/75/328185375.db2.gz PKLWPCUGSJTKSE-CHWSQXEVSA-N -1 3 353.444 2.115 20 5 FEBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000191044012 328247078 /nfs/dbraw/zinc/24/70/78/328247078.db2.gz JFCILZWQBHNASJ-SCZZXKLOSA-N -1 3 368.333 2.459 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CCCC1 ZINC000079278608 325084341 /nfs/dbraw/zinc/08/43/41/325084341.db2.gz FMNINEUMAAHGCG-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245534585 328556569 /nfs/dbraw/zinc/55/65/69/328556569.db2.gz HXLNXVRETVEGPE-NILFDRSVSA-N -1 3 352.412 2.139 20 5 FEBDHM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000116902945 326041533 /nfs/dbraw/zinc/04/15/33/326041533.db2.gz VOLFMAQVXUXRRA-OAQYLSRUSA-N -1 3 368.864 2.074 20 5 FEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119147301 326131349 /nfs/dbraw/zinc/13/13/49/326131349.db2.gz ZETOZQATSYAKPG-LBPRGKRZSA-N -1 3 350.824 2.324 20 5 FEBDHM CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167480 326236682 /nfs/dbraw/zinc/23/66/82/326236682.db2.gz JUWQRGRUOHBSGA-LBPRGKRZSA-N -1 3 361.489 2.303 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](C)N(C3CC3)C2)c1C 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FISYZIRYFMNLCA-OAHLLOKOSA-N -1 3 363.414 2.017 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2CO)c1C ZINC000159740098 545976599 /nfs/dbraw/zinc/97/65/99/545976599.db2.gz ZLLFQKYAUAVQNN-UHFFFAOYSA-N -1 3 350.396 2.182 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCO[C@@H]1CC(C)C ZINC000478764421 561174310 /nfs/dbraw/zinc/17/43/10/561174310.db2.gz IPVGDPAEQSKKNZ-UKRRQHHQSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCO[C@H]1CC(C)C ZINC000478774601 561174628 /nfs/dbraw/zinc/17/46/28/561174628.db2.gz SXETYFKXNRWATB-KGLIPLIRSA-N -1 3 372.443 2.475 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000162739349 546141546 /nfs/dbraw/zinc/14/15/46/546141546.db2.gz WOVGACGPPDUVEU-SNVBAGLBSA-N -1 3 368.333 2.461 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(F)(F)F ZINC000479158817 561183213 /nfs/dbraw/zinc/18/32/13/561183213.db2.gz MMCOQWVEGMPSHC-GFCCVEGCSA-N -1 3 370.349 2.457 20 5 FEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000481918576 561245385 /nfs/dbraw/zinc/24/53/85/561245385.db2.gz HNUPJKAJCLAKPA-UHFFFAOYSA-N -1 3 366.259 2.210 20 5 FEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000481918576 561245386 /nfs/dbraw/zinc/24/53/86/561245386.db2.gz HNUPJKAJCLAKPA-UHFFFAOYSA-N -1 3 366.259 2.210 20 5 FEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000481918576 561245387 /nfs/dbraw/zinc/24/53/87/561245387.db2.gz HNUPJKAJCLAKPA-UHFFFAOYSA-N -1 3 366.259 2.210 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000183487198 547669705 /nfs/dbraw/zinc/66/97/05/547669705.db2.gz JTCYUWIUWJZLEU-NSHDSACASA-N -1 3 373.862 2.319 20 5 FEBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185782920 548034828 /nfs/dbraw/zinc/03/48/28/548034828.db2.gz QQZNKLYEVLVHCP-UHFFFAOYSA-N -1 3 364.408 2.386 20 5 FEBDHM O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186027846 548074462 /nfs/dbraw/zinc/07/44/62/548074462.db2.gz MUKNQBYEVKASAN-UHFFFAOYSA-N -1 3 356.382 2.342 20 5 FEBDHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186916815 548217910 /nfs/dbraw/zinc/21/79/10/548217910.db2.gz QZYYLPLACIGQKF-HNNXBMFYSA-N -1 3 356.382 2.090 20 5 FEBDHM Cn1c(C(=O)NCc2ccc([O-])c(Br)c2)ccc1[N+](=O)[O-] ZINC000488680569 561394410 /nfs/dbraw/zinc/39/44/10/561394410.db2.gz AXWYWDVVJILCNW-UHFFFAOYSA-N -1 3 354.160 2.331 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247354779 549323373 /nfs/dbraw/zinc/32/33/73/549323373.db2.gz YILCRAWPMIFQPN-IIDMSEBBSA-N -1 3 374.418 2.468 20 5 FEBDHM Cc1nc(S(=O)(=O)Cc2c([N+](=O)[O-])ncn2C)[n-]c1-c1ccccc1 ZINC000490465219 561433629 /nfs/dbraw/zinc/43/36/29/561433629.db2.gz SVITWRYLLGTNNA-UHFFFAOYSA-N -1 3 361.383 2.001 20 5 FEBDHM Cc1[n-]c(S(=O)(=O)Cc2c([N+](=O)[O-])ncn2C)nc1-c1ccccc1 ZINC000490465219 561433630 /nfs/dbraw/zinc/43/36/30/561433630.db2.gz SVITWRYLLGTNNA-UHFFFAOYSA-N -1 3 361.383 2.001 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270674238 550295551 /nfs/dbraw/zinc/29/55/51/550295551.db2.gz XAVPULFDAUPLCK-ABAIWWIYSA-N -1 3 372.443 2.475 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)[n-]c21 ZINC000494127585 561463118 /nfs/dbraw/zinc/46/31/18/561463118.db2.gz LXWVLGSRVOZLDJ-UHFFFAOYSA-N -1 3 373.300 2.231 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)nc21 ZINC000494127585 561463119 /nfs/dbraw/zinc/46/31/19/561463119.db2.gz LXWVLGSRVOZLDJ-UHFFFAOYSA-N -1 3 373.300 2.231 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271290249 550361645 /nfs/dbraw/zinc/36/16/45/550361645.db2.gz RUBPXRYXJDJYQB-IUCAKERBSA-N -1 3 368.333 2.459 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000278927947 550836960 /nfs/dbraw/zinc/83/69/60/550836960.db2.gz XEOGHIHEOPLZGK-UHFFFAOYSA-N -1 3 364.420 2.307 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000283424312 551363779 /nfs/dbraw/zinc/36/37/79/551363779.db2.gz BWIDUJCUFSQLAZ-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000497933039 561511686 /nfs/dbraw/zinc/51/16/86/561511686.db2.gz DTMGNYUSXFZPQT-JOYOIKCWSA-N -1 3 370.349 2.192 20 5 FEBDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000285504179 551766742 /nfs/dbraw/zinc/76/67/42/551766742.db2.gz XUPQBFLUDFZOQN-ZETCQYMHSA-N -1 3 359.795 2.023 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]1 ZINC000285504179 551766743 /nfs/dbraw/zinc/76/67/43/551766743.db2.gz XUPQBFLUDFZOQN-ZETCQYMHSA-N -1 3 359.795 2.023 20 5 FEBDHM O=C([N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)C1(O)CCCC1 ZINC000287028001 551953698 /nfs/dbraw/zinc/95/36/98/551953698.db2.gz KFZDKKBZAJVLCJ-UHFFFAOYSA-N -1 3 354.313 2.028 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCSC2)cc1[N+](=O)[O-] 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VDWQZSRUZYPJEC-UHFFFAOYSA-N -1 3 354.326 2.426 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000374629133 557909352 /nfs/dbraw/zinc/90/93/52/557909352.db2.gz VDWQZSRUZYPJEC-UHFFFAOYSA-N -1 3 354.326 2.426 20 5 FEBDHM Cc1cc(C(=O)NCc2ccccc2-n2cccn2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375083205 557975034 /nfs/dbraw/zinc/97/50/34/557975034.db2.gz AXWPGZUIODUFBS-UHFFFAOYSA-N -1 3 353.338 2.120 20 5 FEBDHM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000375689317 558067818 /nfs/dbraw/zinc/06/78/18/558067818.db2.gz PYVFOXBLYHQOKF-UHFFFAOYSA-N -1 3 356.382 2.436 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C1CCC1 ZINC000398158372 558626330 /nfs/dbraw/zinc/62/63/30/558626330.db2.gz VJWMRVKMOQDXSC-UHFFFAOYSA-N -1 3 356.400 2.238 20 5 FEBDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408371598 558671585 /nfs/dbraw/zinc/67/15/85/558671585.db2.gz ZKBLKHJPOIRGIF-AWEZNQCLSA-N -1 3 356.400 2.223 20 5 FEBDHM CCN(c1ccnc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1)C1CCCC1 ZINC000411103594 558838963 /nfs/dbraw/zinc/83/89/63/558838963.db2.gz IAPRWUXJXCTKTL-UHFFFAOYSA-N -1 3 359.390 2.140 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCCOCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000525386908 562247229 /nfs/dbraw/zinc/24/72/29/562247229.db2.gz PHHKFXHLEKZHAZ-UHFFFAOYSA-N -1 3 372.443 2.015 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000416408356 559310702 /nfs/dbraw/zinc/31/07/02/559310702.db2.gz PLPPQIVPCWMHNT-DTWKUNHWSA-N -1 3 368.333 2.317 20 5 FEBDHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416452480 559313906 /nfs/dbraw/zinc/31/39/06/559313906.db2.gz CWPDNMIUYCASOY-LLVKDONJSA-N -1 3 370.349 2.299 20 5 FEBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453904 559313981 /nfs/dbraw/zinc/31/39/81/559313981.db2.gz DEUDBGBCZBSACR-GFCCVEGCSA-N -1 3 370.349 2.443 20 5 FEBDHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416468090 559315387 /nfs/dbraw/zinc/31/53/87/559315387.db2.gz XLDKEOGYLRGEKS-VMZHVLLKSA-N -1 3 368.333 2.219 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000416475391 559315997 /nfs/dbraw/zinc/31/59/97/559315997.db2.gz UIMZUGOBJPDVMP-MNOVXSKESA-N -1 3 368.333 2.051 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@@](C)(OC)C1CC1 ZINC000416586387 559323447 /nfs/dbraw/zinc/32/34/47/559323447.db2.gz HKPIGOBJPRDMHD-MEBBXXQBSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)cc1C ZINC000416625759 559325997 /nfs/dbraw/zinc/32/59/97/559325997.db2.gz QXAQCFTXNOOZEN-MFKMUULPSA-N -1 3 364.370 2.039 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000420711685 559499896 /nfs/dbraw/zinc/49/98/96/559499896.db2.gz ZAYJGRJVLJSWJZ-LLVKDONJSA-N -1 3 372.468 2.415 20 5 FEBDHM Cn1[n-]c(=NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000428126046 559770027 /nfs/dbraw/zinc/77/00/27/559770027.db2.gz RSMPQCBBVBQMKM-UHFFFAOYSA-N -1 3 369.328 2.761 20 5 FEBDHM Cn1[n-]c(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1OC(F)F ZINC000428121442 559770098 /nfs/dbraw/zinc/77/00/98/559770098.db2.gz XGUZZMVRUSDCGW-UHFFFAOYSA-N -1 3 351.269 2.663 20 5 FEBDHM Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000432284260 559855491 /nfs/dbraw/zinc/85/54/91/559855491.db2.gz LFUUEGFBTNFKFM-HNNXBMFYSA-N -1 3 366.399 2.031 20 5 FEBDHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000433880137 559889521 /nfs/dbraw/zinc/88/95/21/559889521.db2.gz ZLNSZAXLDSLFMN-VUDGCMKMSA-N -1 3 370.427 2.388 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000436168943 559936589 /nfs/dbraw/zinc/93/65/89/559936589.db2.gz YYTMAMWEIQPQTK-OAHLLOKOSA-N -1 3 354.359 2.400 20 5 FEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436764510 559951123 /nfs/dbraw/zinc/95/11/23/559951123.db2.gz ROOVBBSRTDJJHE-UHFFFAOYSA-N -1 3 370.365 2.290 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000439213463 559990362 /nfs/dbraw/zinc/99/03/62/559990362.db2.gz VLEXDIYTFDMGLD-UHFFFAOYSA-N -1 3 363.351 2.223 20 5 FEBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000445700169 560133856 /nfs/dbraw/zinc/13/38/56/560133856.db2.gz RXYFNPYBFCROKF-MRVPVSSYSA-N -1 3 357.413 2.408 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccn2)c(Br)c1 ZINC000446963869 560154360 /nfs/dbraw/zinc/15/43/60/560154360.db2.gz DCSXXBMQDDPECF-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447925553 560173261 /nfs/dbraw/zinc/17/32/61/560173261.db2.gz JBKIITKGWLRRBH-OAHLLOKOSA-N -1 3 355.460 2.302 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451609810 560317257 /nfs/dbraw/zinc/31/72/57/560317257.db2.gz RAEYIZHSOPKWDF-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451822551 560330924 /nfs/dbraw/zinc/33/09/24/560330924.db2.gz KMECFPSQDRIBQL-IUODEOHRSA-N -1 3 372.443 2.333 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451861105 560333004 /nfs/dbraw/zinc/33/30/04/560333004.db2.gz UTRCCNQHFOGYHH-IUODEOHRSA-N -1 3 374.846 2.324 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1C ZINC000451859347 560333054 /nfs/dbraw/zinc/33/30/54/560333054.db2.gz SRSLNEGEHIZUIP-WMLDXEAASA-N -1 3 368.455 2.287 20 5 FEBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451985540 560342486 /nfs/dbraw/zinc/34/24/86/560342486.db2.gz WSGSRWQTUGDIGN-WDEREUQCSA-N -1 3 370.349 2.441 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463850369 560826548 /nfs/dbraw/zinc/82/65/48/560826548.db2.gz WSCUKOZOFRVMOM-HUUCEWRRSA-N -1 3 372.443 2.474 20 5 FEBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC000466925212 560899203 /nfs/dbraw/zinc/89/92/03/560899203.db2.gz USVNXFOFFCDFCN-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000466925212 560899204 /nfs/dbraw/zinc/89/92/04/560899204.db2.gz USVNXFOFFCDFCN-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(F)c1 ZINC000467777798 560917149 /nfs/dbraw/zinc/91/71/49/560917149.db2.gz YVVNVCYVVPISDQ-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000469069815 560946486 /nfs/dbraw/zinc/94/64/86/560946486.db2.gz UQYLYUUQUMHQRE-NWDGAFQWSA-N -1 3 370.427 2.486 20 5 FEBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ncccc1[O-] ZINC000473642231 561054915 /nfs/dbraw/zinc/05/49/15/561054915.db2.gz WUUCRFJXSALQFD-VIFPVBQESA-N -1 3 351.746 2.433 20 5 FEBDHM O=C(NCc1ncccc1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000473644921 561054970 /nfs/dbraw/zinc/05/49/70/561054970.db2.gz WMPFIBSFHDDGNX-UHFFFAOYSA-N -1 3 352.144 2.388 20 5 FEBDHM COc1c(C(=O)[N-]c2ccccc2SCC(N)=O)cccc1[N+](=O)[O-] ZINC000474432943 561074064 /nfs/dbraw/zinc/07/40/64/561074064.db2.gz ODONEMLHZLQCBJ-UHFFFAOYSA-N -1 3 361.379 2.433 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000534406286 562533564 /nfs/dbraw/zinc/53/35/64/562533564.db2.gz QZRYWLSLMUKGST-OAHLLOKOSA-N -1 3 364.423 2.033 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1CCC(OC)CC1 ZINC000541828678 562620906 /nfs/dbraw/zinc/62/09/06/562620906.db2.gz BFXKVNSEQRESKB-UHFFFAOYSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737238780 598964534 /nfs/dbraw/zinc/96/45/34/598964534.db2.gz SZGCBUBEMCVYTH-UHFFFAOYSA-N -1 3 357.305 2.057 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737238780 598964535 /nfs/dbraw/zinc/96/45/35/598964535.db2.gz SZGCBUBEMCVYTH-UHFFFAOYSA-N -1 3 357.305 2.057 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737796469 598306337 /nfs/dbraw/zinc/30/63/37/598306337.db2.gz GZQPGZHJJUQCSK-BAQGIRSFSA-N -1 3 368.328 2.244 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737796469 598306338 /nfs/dbraw/zinc/30/63/38/598306338.db2.gz GZQPGZHJJUQCSK-BAQGIRSFSA-N -1 3 368.328 2.244 20 5 FEBDHM COC(=O)c1cc(OCc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736949852 598751871 /nfs/dbraw/zinc/75/18/71/598751871.db2.gz HPPNQVNZVGGJQR-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COC(=O)c1cc(OCc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736949852 598751873 /nfs/dbraw/zinc/75/18/73/598751873.db2.gz HPPNQVNZVGGJQR-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM O=C([O-])CCN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCOCC1 ZINC000833235736 600719871 /nfs/dbraw/zinc/71/98/71/600719871.db2.gz ASFVXUUZUUNICS-UHFFFAOYSA-N -1 3 374.397 2.372 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000821845235 607478829 /nfs/dbraw/zinc/47/88/29/607478829.db2.gz DHCDGVLCXYGEAI-UHFFFAOYSA-N -1 3 358.333 2.212 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000821845235 607478830 /nfs/dbraw/zinc/47/88/30/607478830.db2.gz DHCDGVLCXYGEAI-UHFFFAOYSA-N -1 3 358.333 2.212 20 5 FEBDHM COc1ccc(CN2CCc3cc([N+](=O)[O-])ccc32)cc1-c1nnn[n-]1 ZINC000826195300 607547439 /nfs/dbraw/zinc/54/74/39/607547439.db2.gz OOOYWEHIIHZVIB-UHFFFAOYSA-N -1 3 352.354 2.346 20 5 FEBDHM COc1ccc(CN2CCc3cc([N+](=O)[O-])ccc32)cc1-c1nn[n-]n1 ZINC000826195300 607547440 /nfs/dbraw/zinc/54/74/40/607547440.db2.gz OOOYWEHIIHZVIB-UHFFFAOYSA-N -1 3 352.354 2.346 20 5 FEBDHM COc1ccc(COC(=O)c2c(C)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205720 607597230 /nfs/dbraw/zinc/59/72/30/607597230.db2.gz IZXTUCNBWVYVLL-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2c(C)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205720 607597231 /nfs/dbraw/zinc/59/72/31/607597231.db2.gz IZXTUCNBWVYVLL-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823054604 606130508 /nfs/dbraw/zinc/13/05/08/606130508.db2.gz BKHPJPAGJWCTIQ-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823054604 606130510 /nfs/dbraw/zinc/13/05/10/606130510.db2.gz BKHPJPAGJWCTIQ-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820995018 606421110 /nfs/dbraw/zinc/42/11/10/606421110.db2.gz MNPUOWHYCJDGHA-QWHCGFSZSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820995018 606421112 /nfs/dbraw/zinc/42/11/12/606421112.db2.gz MNPUOWHYCJDGHA-QWHCGFSZSA-N -1 3 373.417 2.001 20 5 FEBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820623268 606723914 /nfs/dbraw/zinc/72/39/14/606723914.db2.gz KEUUQYGBUBDTEW-MRXNPFEDSA-N -1 3 355.358 2.304 20 5 FEBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820623268 606723915 /nfs/dbraw/zinc/72/39/15/606723915.db2.gz KEUUQYGBUBDTEW-MRXNPFEDSA-N -1 3 355.358 2.304 20 5 FEBDHM C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820397537 606867398 /nfs/dbraw/zinc/86/73/98/606867398.db2.gz QBZJPEASTPXAHC-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820397537 606867400 /nfs/dbraw/zinc/86/74/00/606867400.db2.gz QBZJPEASTPXAHC-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000820728055 607047557 /nfs/dbraw/zinc/04/75/57/607047557.db2.gz RVNYJGDZVMNKPY-ABAIWWIYSA-N -1 3 354.374 2.059 20 5 FEBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000821343271 607128322 /nfs/dbraw/zinc/12/83/22/607128322.db2.gz MWLVKTWVQCQSNJ-UHFFFAOYSA-N -1 3 374.288 2.278 20 5 FEBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000821343271 607128323 /nfs/dbraw/zinc/12/83/23/607128323.db2.gz MWLVKTWVQCQSNJ-UHFFFAOYSA-N -1 3 374.288 2.278 20 5 FEBDHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820536032 607139713 /nfs/dbraw/zinc/13/97/13/607139713.db2.gz RORQKHSOPLQCLD-SECBINFHSA-N -1 3 372.316 2.320 20 5 FEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820536032 607139716 /nfs/dbraw/zinc/13/97/16/607139716.db2.gz RORQKHSOPLQCLD-SECBINFHSA-N -1 3 372.316 2.320 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640174 607176810 /nfs/dbraw/zinc/17/68/10/607176810.db2.gz WMNPWVRQHJILEV-MEBBXXQBSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640174 607176811 /nfs/dbraw/zinc/17/68/11/607176811.db2.gz WMNPWVRQHJILEV-MEBBXXQBSA-N -1 3 362.415 2.242 20 5 FEBDHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826333345 607842011 /nfs/dbraw/zinc/84/20/11/607842011.db2.gz DISNUJXFFPRZBK-CQSZACIVSA-N -1 3 368.401 2.467 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])ccc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470244 607964568 /nfs/dbraw/zinc/96/45/68/607964568.db2.gz JGDRMFWUUOZVDB-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])ccc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470244 607964569 /nfs/dbraw/zinc/96/45/69/607964569.db2.gz JGDRMFWUUOZVDB-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM COc1ccc(COCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826207024 608237914 /nfs/dbraw/zinc/23/79/14/608237914.db2.gz XDFDMHLMZOVIEK-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COc1ccc(COCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826207024 608237916 /nfs/dbraw/zinc/23/79/16/608237916.db2.gz XDFDMHLMZOVIEK-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM Cc1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000826326381 608667569 /nfs/dbraw/zinc/66/75/69/608667569.db2.gz NENOYTRDRPSYOH-SNVBAGLBSA-N -1 3 355.358 2.144 20 5 FEBDHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000826326381 608667570 /nfs/dbraw/zinc/66/75/70/608667570.db2.gz NENOYTRDRPSYOH-SNVBAGLBSA-N -1 3 355.358 2.144 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826264017 608831490 /nfs/dbraw/zinc/83/14/90/608831490.db2.gz ZMMSBADNGBKEEY-UHFFFAOYSA-N -1 3 353.342 2.347 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826264017 608831494 /nfs/dbraw/zinc/83/14/94/608831494.db2.gz ZMMSBADNGBKEEY-UHFFFAOYSA-N -1 3 353.342 2.347 20 5 FEBDHM CCCN(CC)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022565 674899792 /nfs/dbraw/zinc/89/97/92/674899792.db2.gz RNXRGTHLSCOWOX-UHFFFAOYSA-N -1 3 367.830 2.398 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000564906355 675074429 /nfs/dbraw/zinc/07/44/29/675074429.db2.gz KCAVMCUYVXWWAO-JGVFFNPUSA-N -1 3 354.306 2.069 20 5 FEBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000067432019 670457671 /nfs/dbraw/zinc/45/76/71/670457671.db2.gz GOFJUCQGVFSMTM-UHFFFAOYSA-N -1 3 355.303 2.121 20 5 FEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000571213712 670835777 /nfs/dbraw/zinc/83/57/77/670835777.db2.gz KYVCIVMJFWIVCT-NSHDSACASA-N -1 3 350.400 2.773 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)no1 ZINC000573958718 671185925 /nfs/dbraw/zinc/18/59/25/671185925.db2.gz HABOGTLUXLKGFV-UHFFFAOYSA-N -1 3 368.415 2.316 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000119315002 671896313 /nfs/dbraw/zinc/89/63/13/671896313.db2.gz MIRQWIPHDDPJGJ-RFAUZJTJSA-N -1 3 372.349 2.273 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC[C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000582840802 672038885 /nfs/dbraw/zinc/03/88/85/672038885.db2.gz MLCQRNRNMJNGJV-LBPRGKRZSA-N -1 3 365.411 2.497 20 5 FEBDHM O=C(Nc1cc(I)ccc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000611156689 676021705 /nfs/dbraw/zinc/02/17/05/676021705.db2.gz OGFMYJSSDOQKCB-UHFFFAOYSA-N -1 3 373.106 2.485 20 5 FEBDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000593557452 672942185 /nfs/dbraw/zinc/94/21/85/672942185.db2.gz BTUVZPZBVPGGDQ-GFCCVEGCSA-N -1 3 373.431 2.025 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)nc1 ZINC000593605086 672955859 /nfs/dbraw/zinc/95/58/59/672955859.db2.gz GEWAPBSEAGIJES-ZYHUDNBSSA-N -1 3 369.424 2.250 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])ccc1F ZINC000725992427 673100327 /nfs/dbraw/zinc/10/03/27/673100327.db2.gz CJHLZSNQJCKXBP-UHFFFAOYSA-N -1 3 368.342 2.462 20 5 FEBDHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594800557 673147606 /nfs/dbraw/zinc/14/76/06/673147606.db2.gz GVAWDWMAOIPXBP-SNVBAGLBSA-N -1 3 361.851 2.399 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000595349390 673229659 /nfs/dbraw/zinc/22/96/59/673229659.db2.gz XHYKHPXXBSQABV-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1nn(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000537518866 673392634 /nfs/dbraw/zinc/39/26/34/673392634.db2.gz USBFLYALMSLNOR-UHFFFAOYSA-N -1 3 361.749 2.328 20 5 FEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@H]1COCCO1)C(F)(F)F ZINC000597442611 673478140 /nfs/dbraw/zinc/47/81/40/673478140.db2.gz MKWAPVMQJHMEKZ-VHSXEESVSA-N -1 3 364.276 2.223 20 5 FEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598608984 673589779 /nfs/dbraw/zinc/58/97/79/673589779.db2.gz WSVYMDHNODMTFR-VIFPVBQESA-N -1 3 356.429 2.411 20 5 FEBDHM Cc1ncc([N-]C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)s1 ZINC000752866879 680263769 /nfs/dbraw/zinc/26/37/69/680263769.db2.gz NXZMYOZFWSPPEN-UHFFFAOYSA-N -1 3 366.311 2.291 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ncn1 ZINC000756977773 680509116 /nfs/dbraw/zinc/50/91/16/680509116.db2.gz CAZDFYCQFCXRBI-UHFFFAOYSA-N -1 3 356.791 2.134 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000841494608 680887449 /nfs/dbraw/zinc/88/74/49/680887449.db2.gz FQHNLJDKGOVHKB-SNVBAGLBSA-N -1 3 368.333 2.053 20 5 FEBDHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000770496618 681017939 /nfs/dbraw/zinc/01/79/39/681017939.db2.gz IMSMQVKXPBIMPD-GWCFXTLKSA-N -1 3 358.416 2.163 20 5 FEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820700 682147845 /nfs/dbraw/zinc/14/78/45/682147845.db2.gz FTTUKRDXXPBGDF-SECBINFHSA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000023399306 539714283 /nfs/dbraw/zinc/71/42/83/539714283.db2.gz FDUGCNCCBLNGIU-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000027597901 539811912 /nfs/dbraw/zinc/81/19/12/539811912.db2.gz FBDZGGAPPPYUKP-UHFFFAOYSA-N -1 3 355.759 2.148 20 5 FEBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000056074013 540699905 /nfs/dbraw/zinc/69/99/05/540699905.db2.gz 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O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000068962446 541645183 /nfs/dbraw/zinc/64/51/83/541645183.db2.gz HRBTYHFSMPKKLK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000056054830 205226864 /nfs/dbraw/zinc/22/68/64/205226864.db2.gz GAVSOJNRVLAWHQ-UHFFFAOYSA-N -1 3 366.399 2.342 20 5 FEBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] ZINC000091430916 542807157 /nfs/dbraw/zinc/80/71/57/542807157.db2.gz ANJBFVCTGMVVQF-HUUCEWRRSA-N -1 3 359.338 2.374 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000101572248 543034563 /nfs/dbraw/zinc/03/45/63/543034563.db2.gz CNEXXROKDIPXFC-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000102413261 543069280 /nfs/dbraw/zinc/06/92/80/543069280.db2.gz OFGMOFRFNKJTOU-UHFFFAOYSA-N -1 3 359.404 2.274 20 5 FEBDHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c([O-])c1 ZINC000109984150 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CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000156525910 545633069 /nfs/dbraw/zinc/63/30/69/545633069.db2.gz UNDXYSABQHPGNN-CQSZACIVSA-N -1 3 350.396 2.169 20 5 FEBDHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000478160107 561161033 /nfs/dbraw/zinc/16/10/33/561161033.db2.gz YARYSFVOIQEYCY-LBPRGKRZSA-N -1 3 358.416 2.078 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)c(Cl)c1 ZINC000159552662 545962589 /nfs/dbraw/zinc/96/25/89/545962589.db2.gz QAXICRNOOLKNIH-CYBMUJFWSA-N -1 3 362.835 2.468 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000159562214 545963430 /nfs/dbraw/zinc/96/34/30/545963430.db2.gz OUZBKKJMQBMSMV-ZDUSSCGKSA-N -1 3 362.835 2.468 20 5 FEBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000159874451 545988004 /nfs/dbraw/zinc/98/80/04/545988004.db2.gz PQLXBISLFKUBLU-QMMMGPOBSA-N -1 3 357.363 2.248 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCO[C@@H]1CC(C)C 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/nfs/dbraw/zinc/29/45/78/561294578.db2.gz VSXPSDQZZMHEHN-UHFFFAOYSA-N -1 3 369.337 2.260 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000185038445 547921427 /nfs/dbraw/zinc/92/14/27/547921427.db2.gz UAMFERFGTOTYQP-LSDHHAIUSA-N -1 3 360.407 2.262 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000185866857 548047445 /nfs/dbraw/zinc/04/74/45/548047445.db2.gz OQHRQFFWVGWKHR-NSHDSACASA-N -1 3 357.370 2.316 20 5 FEBDHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000186209233 548099316 /nfs/dbraw/zinc/09/93/16/548099316.db2.gz PJUCFXGDPVSROT-UHFFFAOYSA-N -1 3 369.399 2.376 20 5 FEBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000485864568 561330372 /nfs/dbraw/zinc/33/03/72/561330372.db2.gz NGWZBPHHROGEKO-UHFFFAOYSA-N -1 3 353.331 2.493 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000490109005 561427028 /nfs/dbraw/zinc/42/70/28/561427028.db2.gz 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/nfs/dbraw/zinc/00/38/25/552003825.db2.gz NDPWBDPQNLHSIX-UHFFFAOYSA-N -1 3 366.317 2.239 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H](O)c1ccccc1 ZINC000288388875 552145370 /nfs/dbraw/zinc/14/53/70/552145370.db2.gz LLDHZEDDRLMHAE-DOMZBBRYSA-N -1 3 350.396 2.304 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000289607173 552348554 /nfs/dbraw/zinc/34/85/54/552348554.db2.gz RXXYXMBBOFBWNK-VIFPVBQESA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000295564607 553027020 /nfs/dbraw/zinc/02/70/20/553027020.db2.gz UEWQZNQAMRNONQ-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@H](O)C(F)F ZINC000295884304 553071378 /nfs/dbraw/zinc/07/13/78/553071378.db2.gz ZZZAIPWNCYEQSR-HQJQHLMTSA-N -1 3 372.777 2.240 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)cc1C ZINC000299018753 553504130 /nfs/dbraw/zinc/50/41/30/553504130.db2.gz HNQFLLUAEYMQBO-ZDUSSCGKSA-N -1 3 364.427 2.301 20 5 FEBDHM CCOC(=O)c1ccc(F)c(C)c1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000505433413 561671038 /nfs/dbraw/zinc/67/10/38/561671038.db2.gz GXTSGHLYLQNDRA-UHFFFAOYSA-N -1 3 350.306 2.205 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)cc1C ZINC000325233240 553775561 /nfs/dbraw/zinc/77/55/61/553775561.db2.gz FPKLHFALEHPYBK-LLVKDONJSA-N -1 3 358.416 2.220 20 5 FEBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331299030 554243586 /nfs/dbraw/zinc/24/35/86/554243586.db2.gz OHFAPFOCEBWNBT-LLVKDONJSA-N -1 3 361.851 2.399 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1[N+](=O)[O-] ZINC000509164837 561787850 /nfs/dbraw/zinc/78/78/50/561787850.db2.gz IPDZAFOCQWFWRZ-UHFFFAOYSA-N -1 3 353.334 2.375 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1)OCCO2 ZINC000332438046 554445736 /nfs/dbraw/zinc/44/57/36/554445736.db2.gz BFKYPFONYDILNQ-LLVKDONJSA-N -1 3 354.384 2.001 20 5 FEBDHM 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/nfs/dbraw/zinc/41/74/39/557417439.db2.gz BNLPKAPXDNLVBN-CYBMUJFWSA-N -1 3 357.366 2.270 20 5 FEBDHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098604 557977764 /nfs/dbraw/zinc/97/77/64/557977764.db2.gz CBEYEYYXBMACQZ-BLLLJJGKSA-N -1 3 370.409 2.254 20 5 FEBDHM CC(C)c1nccn1C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000376117945 558129124 /nfs/dbraw/zinc/12/91/24/558129124.db2.gz TVENNZWBWIJWNN-CYBMUJFWSA-N -1 3 359.386 2.320 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2)n1 ZINC000522260090 562195431 /nfs/dbraw/zinc/19/54/31/562195431.db2.gz XRKCZHIEOMVJRA-UHFFFAOYSA-N -1 3 353.338 2.244 20 5 FEBDHM C[C@@]1(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000523575635 562215570 /nfs/dbraw/zinc/21/55/70/562215570.db2.gz WSOUWXAYXHDVCD-KRWDZBQOSA-N -1 3 358.329 2.401 20 5 FEBDHM C[C@H]1CCN(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000408014363 558638296 /nfs/dbraw/zinc/63/82/96/558638296.db2.gz NALVXRKOWCRKQR-QMMMGPOBSA-N -1 3 364.221 2.356 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)C)c(C(=O)OC)s2)n1 ZINC000411054677 558836063 /nfs/dbraw/zinc/83/60/63/558836063.db2.gz HKWZIUXTOFQVRH-UHFFFAOYSA-N -1 3 367.387 2.430 20 5 FEBDHM CC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[O-] ZINC000412126899 559015935 /nfs/dbraw/zinc/01/59/35/559015935.db2.gz RDOWBOWNCCHHLT-CYBMUJFWSA-N -1 3 370.365 2.225 20 5 FEBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416395860 559310024 /nfs/dbraw/zinc/31/00/24/559310024.db2.gz XZIRTAYEDSUHPI-QMMMGPOBSA-N -1 3 356.322 2.174 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000416418223 559311513 /nfs/dbraw/zinc/31/15/13/559311513.db2.gz ZPKJNCVYIMGECR-QMMMGPOBSA-N -1 3 356.347 2.397 20 5 FEBDHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000416522206 559319636 /nfs/dbraw/zinc/31/96/36/559319636.db2.gz ZRCIQUQWWGFPSL-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c([N+](=O)[O-])c1 ZINC000416602957 559324489 /nfs/dbraw/zinc/32/44/89/559324489.db2.gz VCYBTVVALMGNOY-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000416624578 559325758 /nfs/dbraw/zinc/32/57/58/559325758.db2.gz ARBKITFVIWHFFZ-UHFFFAOYSA-N -1 3 360.442 2.172 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c1C ZINC000416625144 559325860 /nfs/dbraw/zinc/32/58/60/559325860.db2.gz BHIPDQMMSOKMJP-UHFFFAOYSA-N -1 3 368.440 2.419 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)c1cn(C(C)C)nn1 ZINC000420757340 559502650 /nfs/dbraw/zinc/50/26/50/559502650.db2.gz FHXXADPHEQRNAD-UHFFFAOYSA-N -1 3 367.431 2.289 20 5 FEBDHM COC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc2[nH]ccc21 ZINC000425985940 559726621 /nfs/dbraw/zinc/72/66/21/559726621.db2.gz BGRPIFGGMFRIDU-UHFFFAOYSA-N -1 3 356.294 2.216 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000426019915 559727811 /nfs/dbraw/zinc/72/78/11/559727811.db2.gz GXMHSPNQRZKTPK-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000431595373 559842116 /nfs/dbraw/zinc/84/21/16/559842116.db2.gz JTUXCOMWDPGPSD-UHFFFAOYSA-N -1 3 358.416 2.469 20 5 FEBDHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000431643850 559843287 /nfs/dbraw/zinc/84/32/87/559843287.db2.gz FHOHGXFKSMAZHH-CYBMUJFWSA-N -1 3 371.459 2.042 20 5 FEBDHM CCOC(=O)CC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000433462822 559882121 /nfs/dbraw/zinc/88/21/21/559882121.db2.gz LXHJQWTUSRHGGA-UHFFFAOYSA-N -1 3 370.427 2.448 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434788696 559909462 /nfs/dbraw/zinc/90/94/62/559909462.db2.gz ZCYCPVBSTLZAKC-UHFFFAOYSA-N -1 3 368.411 2.383 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c1C ZINC000439191118 559989752 /nfs/dbraw/zinc/98/97/52/559989752.db2.gz 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CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000452069205 560349351 /nfs/dbraw/zinc/34/93/51/560349351.db2.gz PPLXITXZYSZXLQ-CHWSQXEVSA-N -1 3 358.416 2.229 20 5 FEBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000456344645 560516243 /nfs/dbraw/zinc/51/62/43/560516243.db2.gz RSPPUDGJVVLYSX-CQSZACIVSA-N -1 3 370.409 2.290 20 5 FEBDHM CCc1ncc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000460905186 560755185 /nfs/dbraw/zinc/75/51/85/560755185.db2.gz QOMPMNSXQYUIIC-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461853746 560785457 /nfs/dbraw/zinc/78/54/57/560785457.db2.gz OPLQMQRVXWEUGB-QWRGUYRKSA-N -1 3 356.400 2.081 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463850367 560826635 /nfs/dbraw/zinc/82/66/35/560826635.db2.gz WSCUKOZOFRVMOM-CABCVRRESA-N -1 3 372.443 2.474 20 5 FEBDHM 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ZINC000469365219 560953385 /nfs/dbraw/zinc/95/33/85/560953385.db2.gz VQKGFKCNGJPUDQ-UHFFFAOYSA-N -1 3 370.427 2.486 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000477174435 561138457 /nfs/dbraw/zinc/13/84/57/561138457.db2.gz HPXDKJFAYDLSPS-NSHDSACASA-N -1 3 364.379 2.406 20 5 FEBDHM CCc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1[O-] ZINC000530714918 562421538 /nfs/dbraw/zinc/42/15/38/562421538.db2.gz HNBKWFHYMSYTEU-UHFFFAOYSA-N -1 3 356.382 2.220 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000533149419 562499802 /nfs/dbraw/zinc/49/98/02/562499802.db2.gz TYNUQLPYDJKAAQ-KCPJHIHWSA-N -1 3 352.412 2.139 20 5 FEBDHM O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540951648 562598257 /nfs/dbraw/zinc/59/82/57/562598257.db2.gz IOOJFMFJYOYZOO-UHFFFAOYSA-N -1 3 357.301 2.155 20 5 FEBDHM O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540951648 562598258 /nfs/dbraw/zinc/59/82/58/562598258.db2.gz IOOJFMFJYOYZOO-UHFFFAOYSA-N -1 3 357.301 2.155 20 5 FEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000570165963 568454322 /nfs/dbraw/zinc/45/43/22/568454322.db2.gz GHNGSJGVPGQHJB-MRXNPFEDSA-N -1 3 371.393 2.124 20 5 FEBDHM COc1cc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1O ZINC000737045617 598943255 /nfs/dbraw/zinc/94/32/55/598943255.db2.gz JIXFOVPMULRFKU-UHFFFAOYSA-N -1 3 356.342 2.144 20 5 FEBDHM COc1cc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1O ZINC000737045617 598943256 /nfs/dbraw/zinc/94/32/56/598943256.db2.gz JIXFOVPMULRFKU-UHFFFAOYSA-N -1 3 356.342 2.144 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000823639528 599070940 /nfs/dbraw/zinc/07/09/40/599070940.db2.gz CHMCEQKWEOSTMO-UHFFFAOYSA-N -1 3 359.277 2.434 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000823639528 599070942 /nfs/dbraw/zinc/07/09/42/599070942.db2.gz CHMCEQKWEOSTMO-UHFFFAOYSA-N -1 3 359.277 2.434 20 5 FEBDHM COCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989216 599115851 /nfs/dbraw/zinc/11/58/51/599115851.db2.gz XBOMXBLNWFVNDG-UHFFFAOYSA-N -1 3 368.353 2.068 20 5 FEBDHM COCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989216 599115853 /nfs/dbraw/zinc/11/58/53/599115853.db2.gz XBOMXBLNWFVNDG-UHFFFAOYSA-N -1 3 368.353 2.068 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000738366955 599265678 /nfs/dbraw/zinc/26/56/78/599265678.db2.gz LEYBIWRWIRVMEO-LLVKDONJSA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000738366955 599265680 /nfs/dbraw/zinc/26/56/80/599265680.db2.gz LEYBIWRWIRVMEO-LLVKDONJSA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccn(CCSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826500572 607845131 /nfs/dbraw/zinc/84/51/31/607845131.db2.gz CKFYTDLXVPFBPK-UHFFFAOYSA-N -1 3 351.779 2.417 20 5 FEBDHM O=[N+]([O-])c1cc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)cs1 ZINC000738359015 598251977 /nfs/dbraw/zinc/25/19/77/598251977.db2.gz IFOULHAVQQKGLV-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1cc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cs1 ZINC000738359015 598251979 /nfs/dbraw/zinc/25/19/79/598251979.db2.gz IFOULHAVQQKGLV-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1ccn(CCSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826500572 607845132 /nfs/dbraw/zinc/84/51/32/607845132.db2.gz CKFYTDLXVPFBPK-UHFFFAOYSA-N -1 3 351.779 2.417 20 5 FEBDHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC000737257366 598339586 /nfs/dbraw/zinc/33/95/86/598339586.db2.gz RNNDAWAXLWLRON-AWEZNQCLSA-N -1 3 368.401 2.430 20 5 FEBDHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC000737257366 598339588 /nfs/dbraw/zinc/33/95/88/598339588.db2.gz RNNDAWAXLWLRON-AWEZNQCLSA-N -1 3 368.401 2.430 20 5 FEBDHM COc1nc(C)cc(C)c1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737162719 598458698 /nfs/dbraw/zinc/45/86/98/598458698.db2.gz 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O=C1OCc2c1cccc2[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000808127177 674443057 /nfs/dbraw/zinc/44/30/57/674443057.db2.gz RZTIPQDTZNHKRI-UHFFFAOYSA-N -1 3 362.363 2.250 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737262859 599303596 /nfs/dbraw/zinc/30/35/96/599303596.db2.gz GZBQBJXOAPLLGT-UHFFFAOYSA-N -1 3 360.717 2.351 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737262859 599303598 /nfs/dbraw/zinc/30/35/98/599303598.db2.gz GZBQBJXOAPLLGT-UHFFFAOYSA-N -1 3 360.717 2.351 20 5 FEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823123184 599387788 /nfs/dbraw/zinc/38/77/88/599387788.db2.gz RBUNQAKMHIULLT-UHFFFAOYSA-N -1 3 363.337 2.368 20 5 FEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823123184 599387791 /nfs/dbraw/zinc/38/77/91/599387791.db2.gz RBUNQAKMHIULLT-UHFFFAOYSA-N -1 3 363.337 2.368 20 5 FEBDHM CNc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821637837 599505365 /nfs/dbraw/zinc/50/53/65/599505365.db2.gz VVLLYTKFLUVLEO-SNVBAGLBSA-N -1 3 367.369 2.308 20 5 FEBDHM CNc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821637837 599505368 /nfs/dbraw/zinc/50/53/68/599505368.db2.gz VVLLYTKFLUVLEO-SNVBAGLBSA-N -1 3 367.369 2.308 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823634526 607383214 /nfs/dbraw/zinc/38/32/14/607383214.db2.gz JOZPCWPGJIQDFF-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826212277 607399266 /nfs/dbraw/zinc/39/92/66/607399266.db2.gz LQVDLBVDUHSFNM-UHFFFAOYSA-N -1 3 355.310 2.311 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826212277 607399268 /nfs/dbraw/zinc/39/92/68/607399268.db2.gz LQVDLBVDUHSFNM-UHFFFAOYSA-N -1 3 355.310 2.311 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000821745460 607409345 /nfs/dbraw/zinc/40/93/45/607409345.db2.gz XBTTWYGOLHDWRD-UHFFFAOYSA-N -1 3 361.339 2.202 20 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/nfs/dbraw/zinc/43/40/74/607434074.db2.gz FNNZGKGXBFWQKN-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826211462 607434075 /nfs/dbraw/zinc/43/40/75/607434075.db2.gz FNNZGKGXBFWQKN-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000584116291 601545262 /nfs/dbraw/zinc/54/52/62/601545262.db2.gz RLBIUDPKQIMNIB-CYBMUJFWSA-N -1 3 350.419 2.039 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@](C)(CNC(=O)[O-])C(C)C ZINC000740176185 603137318 /nfs/dbraw/zinc/13/73/18/603137318.db2.gz YFDBDWCHCLYSTG-MRXNPFEDSA-N -1 3 352.391 2.114 20 5 FEBDHM CCOC(=O)CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000825506404 607731495 /nfs/dbraw/zinc/73/14/95/607731495.db2.gz JOYBSRZSGRLJFH-GFCCVEGCSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000825506404 607731498 /nfs/dbraw/zinc/73/14/98/607731498.db2.gz JOYBSRZSGRLJFH-GFCCVEGCSA-N 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CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000820995019 606421020 /nfs/dbraw/zinc/42/10/20/606421020.db2.gz MNPUOWHYCJDGHA-STQMWFEESA-N -1 3 373.417 2.001 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821845540 606564220 /nfs/dbraw/zinc/56/42/20/606564220.db2.gz HSMCMBBULIITTM-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821845540 606564222 /nfs/dbraw/zinc/56/42/22/606564222.db2.gz HSMCMBBULIITTM-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM Cc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000822230247 606623061 /nfs/dbraw/zinc/62/30/61/606623061.db2.gz AGQCPYJXPCNUHJ-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000822230247 606623062 /nfs/dbraw/zinc/62/30/62/606623062.db2.gz AGQCPYJXPCNUHJ-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647173 606725300 /nfs/dbraw/zinc/72/53/00/606725300.db2.gz HPIHKAPKXLTACX-ZDUSSCGKSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647173 606725302 /nfs/dbraw/zinc/72/53/02/606725302.db2.gz HPIHKAPKXLTACX-ZDUSSCGKSA-N -1 3 366.385 2.251 20 5 FEBDHM COC(=O)c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821669704 607037528 /nfs/dbraw/zinc/03/75/28/607037528.db2.gz YVSBXQSUXRGKCY-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821669704 607037529 /nfs/dbraw/zinc/03/75/29/607037529.db2.gz YVSBXQSUXRGKCY-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820234358 607041407 /nfs/dbraw/zinc/04/14/07/607041407.db2.gz OCTGPZLWFHAQJL-YMTOWFKASA-N -1 3 373.348 2.233 20 5 FEBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820234358 607041409 /nfs/dbraw/zinc/04/14/09/607041409.db2.gz OCTGPZLWFHAQJL-YMTOWFKASA-N -1 3 373.348 2.233 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823115904 607074885 /nfs/dbraw/zinc/07/48/85/607074885.db2.gz XFQNNQNQZHCHLB-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823115904 607074887 /nfs/dbraw/zinc/07/48/87/607074887.db2.gz XFQNNQNQZHCHLB-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823639922 607226209 /nfs/dbraw/zinc/22/62/09/607226209.db2.gz MASINXZYELHJQT-INIZCTEOSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823639922 607226210 /nfs/dbraw/zinc/22/62/10/607226210.db2.gz MASINXZYELHJQT-INIZCTEOSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CNc3ccccn3)C2)cc1-c1nnn[n-]1 ZINC000826498109 607841616 /nfs/dbraw/zinc/84/16/16/607841616.db2.gz HTSLTWFUKPFICV-GFCCVEGCSA-N -1 3 366.385 2.108 20 5 FEBDHM CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826003993 607846127 /nfs/dbraw/zinc/84/61/27/607846127.db2.gz DDYDSGGMHYBIGP-UHFFFAOYSA-N -1 3 350.342 2.219 20 5 FEBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826470447 607957040 /nfs/dbraw/zinc/95/70/40/607957040.db2.gz QJBDALGCFLVLNM-UHFFFAOYSA-N -1 3 356.367 2.035 20 5 FEBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826470447 607957041 /nfs/dbraw/zinc/95/70/41/607957041.db2.gz QJBDALGCFLVLNM-UHFFFAOYSA-N -1 3 356.367 2.035 20 5 FEBDHM O=C(c1sccc1-c1nnn[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826475254 607959043 /nfs/dbraw/zinc/95/90/43/607959043.db2.gz AECPSRDRQAMOJT-UHFFFAOYSA-N -1 3 356.367 2.035 20 5 FEBDHM O=C(c1sccc1-c1nn[n-]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826475254 607959044 /nfs/dbraw/zinc/95/90/44/607959044.db2.gz AECPSRDRQAMOJT-UHFFFAOYSA-N -1 3 356.367 2.035 20 5 FEBDHM COc1cc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1O ZINC000826179560 608076561 /nfs/dbraw/zinc/07/65/61/608076561.db2.gz UMVNIONADGWDOV-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM COc1cc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1O ZINC000826179560 608076562 /nfs/dbraw/zinc/07/65/62/608076562.db2.gz UMVNIONADGWDOV-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826497817 608296440 /nfs/dbraw/zinc/29/64/40/608296440.db2.gz VTVYZFBIBZZMJJ-STQMWFEESA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826497817 608296442 /nfs/dbraw/zinc/29/64/42/608296442.db2.gz VTVYZFBIBZZMJJ-STQMWFEESA-N -1 3 358.402 2.418 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826172026 608350736 /nfs/dbraw/zinc/35/07/36/608350736.db2.gz JLWVXPJFAYNQAS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826172026 608350738 /nfs/dbraw/zinc/35/07/38/608350738.db2.gz JLWVXPJFAYNQAS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccsc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826501027 608583302 /nfs/dbraw/zinc/58/33/02/608583302.db2.gz WGTHTDOWHHYRNQ-UHFFFAOYSA-N -1 3 372.414 2.312 20 5 FEBDHM O=[N+]([O-])c1ccsc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826501027 608583305 /nfs/dbraw/zinc/58/33/05/608583305.db2.gz WGTHTDOWHHYRNQ-UHFFFAOYSA-N -1 3 372.414 2.312 20 5 FEBDHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943152 609474536 /nfs/dbraw/zinc/47/45/36/609474536.db2.gz OSEDYMJJGMEIIC-FMIVXFBMSA-N -1 3 364.365 2.495 20 5 FEBDHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943152 609474538 /nfs/dbraw/zinc/47/45/38/609474538.db2.gz OSEDYMJJGMEIIC-FMIVXFBMSA-N -1 3 364.365 2.495 20 5 FEBDHM Cc1nn(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000826334786 609533653 /nfs/dbraw/zinc/53/36/53/609533653.db2.gz JIUDGHWNDMKXJH-UHFFFAOYSA-N -1 3 356.390 2.148 20 5 FEBDHM Cc1nn(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000826334786 609533655 /nfs/dbraw/zinc/53/36/55/609533655.db2.gz JIUDGHWNDMKXJH-UHFFFAOYSA-N -1 3 356.390 2.148 20 5 FEBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000812270865 674660465 /nfs/dbraw/zinc/66/04/65/674660465.db2.gz RQRYFUVVJRYUBV-UHFFFAOYSA-N -1 3 368.318 2.376 20 5 FEBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N-]C(=O)c1cccs1 ZINC000023221098 670047069 /nfs/dbraw/zinc/04/70/69/670047069.db2.gz JGSFDYFSGBNFLM-UHFFFAOYSA-N -1 3 368.754 2.423 20 5 FEBDHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000565964129 675164775 /nfs/dbraw/zinc/16/47/75/675164775.db2.gz HVCUWWBJAUYQHH-CQSZACIVSA-N -1 3 362.835 2.468 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2Cl)c(F)c1 ZINC000120895217 671937661 /nfs/dbraw/zinc/93/76/61/671937661.db2.gz CTHJBAJDUHYAQD-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM CS[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000157987609 672264837 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QJUOVQVGWIICJW-KBPBESRZSA-N -1 3 357.407 2.029 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826223825 675684492 /nfs/dbraw/zinc/68/44/92/675684492.db2.gz BUGDJIFRCPRLAE-UHFFFAOYSA-N -1 3 367.368 2.032 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826223825 675684494 /nfs/dbraw/zinc/68/44/94/675684494.db2.gz BUGDJIFRCPRLAE-UHFFFAOYSA-N -1 3 367.368 2.032 20 5 FEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000765100242 680831320 /nfs/dbraw/zinc/83/13/20/680831320.db2.gz VJJXYQLMLCOKDQ-UHFFFAOYSA-N -1 3 369.447 2.197 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000756997979 680510105 /nfs/dbraw/zinc/51/01/05/680510105.db2.gz JDDQPFCKAQTTFM-UHFFFAOYSA-N -1 3 359.725 2.062 20 5 FEBDHM CC(C)[C@H](CO)O[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000836894038 680528334 /nfs/dbraw/zinc/52/83/34/680528334.db2.gz ZUIYVKWPHFMPMV-JTQLQIEISA-N -1 3 365.155 2.175 20 5 FEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OCCC(F)(F)F ZINC000777974129 681550955 /nfs/dbraw/zinc/55/09/55/681550955.db2.gz WXSVLFQHNSHIGH-UHFFFAOYSA-N -1 3 351.237 2.436 20 5 FEBDHM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796104109 683128552 /nfs/dbraw/zinc/12/85/52/683128552.db2.gz NRJZDUMGKLPAFS-BDJLRTHQSA-N -1 3 368.386 2.443 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(Cl)c1 ZINC000921612790 683521036 /nfs/dbraw/zinc/52/10/36/683521036.db2.gz VGSCPMHIKLCIJD-UMNHJUIQSA-N -1 3 358.803 2.118 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1C(N)=O ZINC000800051051 683525444 /nfs/dbraw/zinc/52/54/44/683525444.db2.gz FFPQKAPYSSEBRR-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000891714871 689096237 /nfs/dbraw/zinc/09/62/37/689096237.db2.gz YQKROXXZXPPDQG-UHFFFAOYSA-N -1 3 365.386 2.459 20 5 FEBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031277126 539903440 /nfs/dbraw/zinc/90/34/40/539903440.db2.gz UMTDGYDVRAOYMD-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031277126 539903444 /nfs/dbraw/zinc/90/34/44/539903444.db2.gz UMTDGYDVRAOYMD-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)ccc1[N+](=O)[O-] ZINC000046409238 540255956 /nfs/dbraw/zinc/25/59/56/540255956.db2.gz XWOALEHKDNBRHP-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1ccc(C)cc1 ZINC000052781924 540489387 /nfs/dbraw/zinc/48/93/87/540489387.db2.gz SADZVNWQTRCYPD-UHFFFAOYSA-N -1 3 366.395 2.269 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCCCC1 ZINC000055280959 540642764 /nfs/dbraw/zinc/64/27/64/540642764.db2.gz MIPCESSMDSYHMV-LBPRGKRZSA-N -1 3 359.423 2.134 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000056040936 540696457 /nfs/dbraw/zinc/69/64/57/540696457.db2.gz NVKLTHDVZJQFLF-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1nc2ncc(Br)cn2n1 ZINC000065630584 541249836 /nfs/dbraw/zinc/24/98/36/541249836.db2.gz SAXQIGJBCXGYRH-UHFFFAOYSA-N -1 3 363.131 2.047 20 5 FEBDHM COCCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000401 541277516 /nfs/dbraw/zinc/27/75/16/541277516.db2.gz BPOOJJSGUKHKJF-UHFFFAOYSA-N -1 3 372.424 2.160 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066333727 541303548 /nfs/dbraw/zinc/30/35/48/541303548.db2.gz HCWNTQYPUYWXAO-GFCCVEGCSA-N -1 3 373.431 2.377 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000069125045 541660292 /nfs/dbraw/zinc/66/02/92/541660292.db2.gz OPPSRXMNNZMHNA-LBPRGKRZSA-N -1 3 352.416 2.293 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000075924258 542215521 /nfs/dbraw/zinc/21/55/21/542215521.db2.gz AXNHIQRLIYIYAY-OLZOCXBDSA-N -1 3 371.459 2.145 20 5 FEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(S(C)(=O)=O)ccn1 ZINC000551368630 674141069 /nfs/dbraw/zinc/14/10/69/674141069.db2.gz OBCGRQYQVUSKKN-UHFFFAOYSA-N -1 3 365.367 2.044 20 5 FEBDHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104733183 543140120 /nfs/dbraw/zinc/14/01/20/543140120.db2.gz HAAMIEBRXAHMCI-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000110177749 543350988 /nfs/dbraw/zinc/35/09/88/543350988.db2.gz SEORQUZBTJPIAT-UHFFFAOYSA-N -1 3 369.424 2.467 20 5 FEBDHM O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000118493699 543652397 /nfs/dbraw/zinc/65/23/97/543652397.db2.gz CFLNYPUWHALUBL-UHFFFAOYSA-N -1 3 360.717 2.386 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000123194522 543748087 /nfs/dbraw/zinc/74/80/87/543748087.db2.gz KNQFYTRHKWTTAR-OAHLLOKOSA-N -1 3 350.396 2.305 20 5 FEBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124207117 543806656 /nfs/dbraw/zinc/80/66/56/543806656.db2.gz DYMAOHVXLUVVTA-ZETCQYMHSA-N -1 3 359.429 2.479 20 5 FEBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134148929 544296077 /nfs/dbraw/zinc/29/60/77/544296077.db2.gz PKFQPDQRHGUWNB-UHFFFAOYSA-N -1 3 357.244 2.120 20 5 FEBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c([O-])c1 ZINC000141362367 544412218 /nfs/dbraw/zinc/41/22/18/544412218.db2.gz BHQSESHPCNYQGZ-UHFFFAOYSA-N -1 3 350.352 2.265 20 5 FEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000553438904 674261904 /nfs/dbraw/zinc/26/19/04/674261904.db2.gz CLDDVDIAMHWCRA-MRVPVSSYSA-N -1 3 370.412 2.049 20 5 FEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180123109 327672439 /nfs/dbraw/zinc/67/24/39/327672439.db2.gz GKIWDPHJOZKGTA-SNVBAGLBSA-N -1 3 350.824 2.244 20 5 FEBDHM Cc1ccc([C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000187060130 327999913 /nfs/dbraw/zinc/99/99/13/327999913.db2.gz HRIMSNUCQCGSIW-AWEZNQCLSA-N -1 3 360.370 2.164 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189831145 328170341 /nfs/dbraw/zinc/17/03/41/328170341.db2.gz UNEMOMDNQUQHKV-UHFFFAOYSA-N -1 3 365.411 2.484 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)c1[N+](=O)[O-] ZINC000189976180 328180029 /nfs/dbraw/zinc/18/00/29/328180029.db2.gz TURBBMVFHUGYAF-JOCHJYFZSA-N -1 3 362.473 2.037 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c1[N+](=O)[O-] ZINC000189990626 328180821 /nfs/dbraw/zinc/18/08/21/328180821.db2.gz ZFJVYJZQSRBCJG-UHFFFAOYSA-N -1 3 368.386 2.322 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@@H]1CCCc2occc21 ZINC000192999700 328351302 /nfs/dbraw/zinc/35/13/02/328351302.db2.gz MTDWALZFUUOQFN-CYBMUJFWSA-N -1 3 365.411 2.133 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000080788982 325144509 /nfs/dbraw/zinc/14/45/09/325144509.db2.gz JINPDUMOJLBWFF-CQSZACIVSA-N -1 3 354.384 2.303 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)cc1C ZINC000097271753 325460498 /nfs/dbraw/zinc/46/04/98/325460498.db2.gz JOLVSDAFMNPPEL-NVXWUHKLSA-N -1 3 362.407 2.148 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1 ZINC000113945760 325867233 /nfs/dbraw/zinc/86/72/33/325867233.db2.gz VDNIURAPZDHMEA-NSHDSACASA-N -1 3 354.359 2.480 20 5 FEBDHM CC(C)(C)CCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116651213 326028584 /nfs/dbraw/zinc/02/85/84/326028584.db2.gz CJESIJKKXOWMLO-UHFFFAOYSA-N -1 3 371.459 2.206 20 5 FEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119138993 326131082 /nfs/dbraw/zinc/13/10/82/326131082.db2.gz NSMWGJLIRGWWSI-LBPRGKRZSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)cc1C ZINC000159558246 326935120 /nfs/dbraw/zinc/93/51/20/326935120.db2.gz YRAAKBRBQJZFOR-OAHLLOKOSA-N -1 3 356.444 2.431 20 5 FEBDHM COCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163259887 327047338 /nfs/dbraw/zinc/04/73/38/327047338.db2.gz JXZCNMMLPQNAHQ-UHFFFAOYSA-N -1 3 356.322 2.317 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CCO[C@@H](C)C1 ZINC000273580631 329876411 /nfs/dbraw/zinc/87/64/11/329876411.db2.gz PGGZVDBKDLDCQS-RYUDHWBXSA-N -1 3 358.416 2.087 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473003303 538733738 /nfs/dbraw/zinc/73/37/38/538733738.db2.gz VDNAORPIKNANNE-ZDUSSCGKSA-N -1 3 373.369 2.363 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000478144848 561160820 /nfs/dbraw/zinc/16/08/20/561160820.db2.gz FFXBZOIUMPXUFO-UHFFFAOYSA-N -1 3 364.379 2.419 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000173729459 546285284 /nfs/dbraw/zinc/28/52/84/546285284.db2.gz WOZFDQVLACOWJF-NSHDSACASA-N -1 3 354.359 2.480 20 5 FEBDHM Cc1oc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N(C)C ZINC000176496252 546454378 /nfs/dbraw/zinc/45/43/78/546454378.db2.gz IJCUMTIWZDDDHV-UHFFFAOYSA-N -1 3 367.383 2.307 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000480745991 561215875 /nfs/dbraw/zinc/21/58/75/561215875.db2.gz AVRKIBQFICGEDP-LLVKDONJSA-N -1 3 374.415 2.002 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481047324 561223791 /nfs/dbraw/zinc/22/37/91/561223791.db2.gz SEBSRPVRJSUXKB-CQSZACIVSA-N -1 3 355.460 2.364 20 5 FEBDHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000178298419 546771662 /nfs/dbraw/zinc/77/16/62/546771662.db2.gz VBBFTWWCPWRLCH-UHFFFAOYSA-N -1 3 371.459 2.139 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C ZINC000481512799 561234658 /nfs/dbraw/zinc/23/46/58/561234658.db2.gz SXPVIZBFZCRZIM-NSHDSACASA-N -1 3 360.432 2.069 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000180074783 547047820 /nfs/dbraw/zinc/04/78/20/547047820.db2.gz DBZPUROGJWLZCV-AWEZNQCLSA-N -1 3 354.384 2.037 20 5 FEBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1N1CCCC1=O ZINC000484248274 561294602 /nfs/dbraw/zinc/29/46/02/561294602.db2.gz WTJDJLBEMCCDHL-UHFFFAOYSA-N -1 3 372.337 2.083 20 5 FEBDHM CCNC(=O)N1CCc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000484203685 561293674 /nfs/dbraw/zinc/29/36/74/561293674.db2.gz RCMQBYWXUNBKLM-UHFFFAOYSA-N -1 3 371.353 2.040 20 5 FEBDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]1 ZINC000485664521 561325210 /nfs/dbraw/zinc/32/52/10/561325210.db2.gz KISXVZCMDFWFLJ-UHFFFAOYSA-N -1 3 363.374 2.428 20 5 FEBDHM CCCCc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(C(=O)OCC)[n-]1 ZINC000485664521 561325211 /nfs/dbraw/zinc/32/52/11/561325211.db2.gz KISXVZCMDFWFLJ-UHFFFAOYSA-N -1 3 363.374 2.428 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2cn(C(C)(C)C)nn2)c(C)c([N+](=O)[O-])c1 ZINC000485935836 561332802 /nfs/dbraw/zinc/33/28/02/561332802.db2.gz QIUQCJCTMKIOAU-UHFFFAOYSA-N -1 3 361.358 2.289 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000186694701 548175905 /nfs/dbraw/zinc/17/59/05/548175905.db2.gz OOPOQCVTEHNUFO-SECBINFHSA-N -1 3 357.413 2.142 20 5 FEBDHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487768189 561375457 /nfs/dbraw/zinc/37/54/57/561375457.db2.gz GZOIEMMJPVEPJS-UHFFFAOYSA-N -1 3 362.245 2.446 20 5 FEBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247320237 549318137 /nfs/dbraw/zinc/31/81/37/549318137.db2.gz LMBVTEBRBYEVFX-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247320237 549318140 /nfs/dbraw/zinc/31/81/40/549318140.db2.gz LMBVTEBRBYEVFX-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247320237 549318142 /nfs/dbraw/zinc/31/81/42/549318142.db2.gz LMBVTEBRBYEVFX-UHFFFAOYSA-N -1 3 367.247 2.170 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2ncncc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000489738156 561418141 /nfs/dbraw/zinc/41/81/41/561418141.db2.gz CQWSVKFVFFGGKD-UHFFFAOYSA-N -1 3 350.718 2.386 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC000249627781 549612671 /nfs/dbraw/zinc/61/26/71/549612671.db2.gz QSYQTBDYGPCLPQ-APHBMKBZSA-N -1 3 366.439 2.448 20 5 FEBDHM CN1CCN(Cc2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)CC1 ZINC000269134164 550159346 /nfs/dbraw/zinc/15/93/46/550159346.db2.gz CIQOCNQOTWRGGE-UHFFFAOYSA-N -1 3 370.409 2.300 20 5 FEBDHM COc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000492835055 561452906 /nfs/dbraw/zinc/45/29/06/561452906.db2.gz SNIKAHFJNOZBKD-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000269817473 550228108 /nfs/dbraw/zinc/22/81/08/550228108.db2.gz ULFYCASZRJDGBM-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270613660 550289307 /nfs/dbraw/zinc/28/93/07/550289307.db2.gz YVTCAYDYXVFRLH-QMMMGPOBSA-N -1 3 357.367 2.015 20 5 FEBDHM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000270613660 550289309 /nfs/dbraw/zinc/28/93/09/550289309.db2.gz YVTCAYDYXVFRLH-QMMMGPOBSA-N -1 3 357.367 2.015 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000270625127 550290242 /nfs/dbraw/zinc/29/02/42/550290242.db2.gz KWWJGGNEMYENIU-IAQYHMDHSA-N -1 3 372.443 2.475 20 5 FEBDHM CCN1CCC([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000272580316 550458760 /nfs/dbraw/zinc/45/87/60/550458760.db2.gz YDEXXARKHYCCPG-UHFFFAOYSA-N -1 3 361.851 2.319 20 5 FEBDHM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000494579036 561471976 /nfs/dbraw/zinc/47/19/76/561471976.db2.gz NMPGJSRHRMDJRX-UHFFFAOYSA-N -1 3 361.379 2.044 20 5 FEBDHM CCOC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(C)C ZINC000276793722 550596600 /nfs/dbraw/zinc/59/66/00/550596600.db2.gz YHNGDDNUOXAWHJ-LBPRGKRZSA-N -1 3 364.395 2.082 20 5 FEBDHM C[C@@H](c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1)N1CCOCC1 ZINC000277757951 550710767 /nfs/dbraw/zinc/71/07/67/550710767.db2.gz QWSGCDWDLPXMAY-LBPRGKRZSA-N -1 3 372.381 2.341 20 5 FEBDHM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000279113406 550855281 /nfs/dbraw/zinc/85/52/81/550855281.db2.gz KZGFBJFEECFWGF-CYBMUJFWSA-N -1 3 356.342 2.308 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c1[N+](=O)[O-] ZINC000282395260 551222593 /nfs/dbraw/zinc/22/25/93/551222593.db2.gz BRESDICYVMBTPA-AWEZNQCLSA-N -1 3 364.427 2.301 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000283661630 551405163 /nfs/dbraw/zinc/40/51/63/551405163.db2.gz WAOXWZQRAUBNLC-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)c1C ZINC000285171584 551714961 /nfs/dbraw/zinc/71/49/61/551714961.db2.gz CNVMPKSZAWZRCK-ZDUSSCGKSA-N -1 3 367.431 2.016 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000285512609 551767776 /nfs/dbraw/zinc/76/77/76/551767776.db2.gz QXNYIMXOWBROQK-UHFFFAOYSA-N -1 3 369.399 2.422 20 5 FEBDHM COCCCO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000287766382 552043931 /nfs/dbraw/zinc/04/39/31/552043931.db2.gz JMVOBQJLJNYHHU-UHFFFAOYSA-N -1 3 351.128 2.194 20 5 FEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000291862908 552669311 /nfs/dbraw/zinc/66/93/11/552669311.db2.gz FHMXXEIHVIJNID-UHFFFAOYSA-N -1 3 353.400 2.495 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)O ZINC000293817492 552859224 /nfs/dbraw/zinc/85/92/24/552859224.db2.gz ORZCUWFRQZXHCK-LLVKDONJSA-N -1 3 370.349 2.441 20 5 FEBDHM CC(C)(CCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)[N+](=O)[O-] ZINC000294317720 552896572 /nfs/dbraw/zinc/89/65/72/552896572.db2.gz HJTYGBMCEPYMLG-UHFFFAOYSA-N -1 3 363.414 2.405 20 5 FEBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000295502224 553017297 /nfs/dbraw/zinc/01/72/97/553017297.db2.gz OALCWPWOTCYCIJ-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H](C)CCO)c1 ZINC000296097982 553104301 /nfs/dbraw/zinc/10/43/01/553104301.db2.gz GDQFCAGKIIORNY-VIFPVBQESA-N -1 3 350.824 2.244 20 5 FEBDHM O=c1[n-]c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)nc2ccsc21 ZINC000298146733 553390452 /nfs/dbraw/zinc/39/04/52/553390452.db2.gz UHZLJBZBUWVPJF-UHFFFAOYSA-N -1 3 372.410 2.022 20 5 FEBDHM CC(C)c1nnc(C[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000503742335 561647766 /nfs/dbraw/zinc/64/77/66/561647766.db2.gz ZHIUOJIWVVQGIS-UHFFFAOYSA-N -1 3 370.456 2.232 20 5 FEBDHM COC(=O)c1ccc(C(F)(F)F)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504073555 561652746 /nfs/dbraw/zinc/65/27/46/561652746.db2.gz BIAQKYADHIIVSH-UHFFFAOYSA-N -1 3 372.259 2.386 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CCCCC2)c(Cl)c1 ZINC000322215180 553767837 /nfs/dbraw/zinc/76/78/37/553767837.db2.gz WSCONDRXIUQDRA-UHFFFAOYSA-N -1 3 362.835 2.469 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1C(C)(C)C1(C)C ZINC000328419126 553794233 /nfs/dbraw/zinc/79/42/33/553794233.db2.gz RXPJPUBWPVPPFD-UHFFFAOYSA-N -1 3 370.427 2.342 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000330966240 554195279 /nfs/dbraw/zinc/19/52/79/554195279.db2.gz CSMVBHMSHYNUEB-ZDUSSCGKSA-N -1 3 358.416 2.087 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@@H]12 ZINC000332246679 554409117 /nfs/dbraw/zinc/40/91/17/554409117.db2.gz ATUWWGUHSOSBHT-RYUDHWBXSA-N -1 3 359.835 2.153 20 5 FEBDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000511030883 561854422 /nfs/dbraw/zinc/85/44/22/561854422.db2.gz NQIOKPHBHXABFN-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000371755524 557284239 /nfs/dbraw/zinc/28/42/39/557284239.db2.gz YNZGOKUPSKZFJZ-KRWDZBQOSA-N -1 3 372.406 2.396 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372380139 557455200 /nfs/dbraw/zinc/45/52/00/557455200.db2.gz LDTYTZBNYCXHLR-YOEHRIQHSA-N -1 3 356.382 2.118 20 5 FEBDHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000372775582 557560549 /nfs/dbraw/zinc/56/05/49/557560549.db2.gz KDUCLEWFLXMFSK-CYBMUJFWSA-N -1 3 364.427 2.208 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000373347459 557676825 /nfs/dbraw/zinc/67/68/25/557676825.db2.gz LVVJVQXNTKLVRM-HZPDHXFCSA-N -1 3 370.427 2.087 20 5 FEBDHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098608 557977827 /nfs/dbraw/zinc/97/78/27/557977827.db2.gz CBEYEYYXBMACQZ-MLGOLLRUSA-N -1 3 370.409 2.254 20 5 FEBDHM Cc1cc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375101553 557978236 /nfs/dbraw/zinc/97/82/36/557978236.db2.gz QQEFWMOIAZTPQV-IBGZPJMESA-N -1 3 369.377 2.318 20 5 FEBDHM O=C(NCC1(N2CCCCC2)CCOCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377096422 558265110 /nfs/dbraw/zinc/26/51/10/558265110.db2.gz ARKTZLAHMNFFRB-UHFFFAOYSA-N -1 3 363.414 2.065 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000377843305 558433538 /nfs/dbraw/zinc/43/35/38/558433538.db2.gz HRUWQLIWQNRAPT-NILFDRSVSA-N -1 3 370.427 2.085 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(C)C ZINC000386759206 558607883 /nfs/dbraw/zinc/60/78/83/558607883.db2.gz DXCMQTYHPJVXTO-NSHDSACASA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000525183613 562242243 /nfs/dbraw/zinc/24/22/43/562242243.db2.gz XCOHRQIBNRKTJM-CYBMUJFWSA-N -1 3 370.427 2.385 20 5 FEBDHM C[C@@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)NC(=O)[N-]C1=O ZINC000413275886 559094676 /nfs/dbraw/zinc/09/46/76/559094676.db2.gz BUWYCOQPZHKONW-VOJFVSQTSA-N -1 3 369.381 2.100 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000416421455 559311977 /nfs/dbraw/zinc/31/19/77/559311977.db2.gz CJBCDZNVDLNDQN-GFCCVEGCSA-N -1 3 368.333 2.461 20 5 FEBDHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416469317 559315589 /nfs/dbraw/zinc/31/55/89/559315589.db2.gz JAXCGOCUKFATNV-WCBMZHEXSA-N -1 3 368.333 2.317 20 5 FEBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416473093 559315778 /nfs/dbraw/zinc/31/57/78/559315778.db2.gz OKNDTIHZFZGILE-QMMMGPOBSA-N -1 3 356.322 2.317 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)O ZINC000416489126 559317027 /nfs/dbraw/zinc/31/70/27/559317027.db2.gz OZURALVRPNWSQL-LLVKDONJSA-N -1 3 370.349 2.441 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)c(C)n1 ZINC000416543649 559320793 /nfs/dbraw/zinc/32/07/93/559320793.db2.gz DRSLVKDROFQYPT-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000416586388 559323405 /nfs/dbraw/zinc/32/34/05/559323405.db2.gz HKPIGOBJPRDMHD-ZUZCIYMTSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000416592432 559323827 /nfs/dbraw/zinc/32/38/27/559323827.db2.gz KZGFEQWNMRMMPF-BMIGLBTASA-N -1 3 358.416 2.085 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c([N+](=O)[O-])c1 ZINC000416641492 559326954 /nfs/dbraw/zinc/32/69/54/559326954.db2.gz DJFSDAXTUAKVLH-AWEZNQCLSA-N -1 3 364.379 2.153 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000425194054 559690400 /nfs/dbraw/zinc/69/04/00/559690400.db2.gz MPUGTFWNXRDDRQ-AAEUAGOBSA-N -1 3 368.411 2.096 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428384006 559774471 /nfs/dbraw/zinc/77/44/71/559774471.db2.gz BGVOMIWDFGYTCM-JTQLQIEISA-N -1 3 354.409 2.116 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c1C ZINC000428400762 559774752 /nfs/dbraw/zinc/77/47/52/559774752.db2.gz LMWPSDDLCQCYKU-CYBMUJFWSA-N -1 3 362.407 2.363 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c(F)c1 ZINC000434769290 559909018 /nfs/dbraw/zinc/90/90/18/559909018.db2.gz VMLJGAGQLLJAGL-CYBMUJFWSA-N -1 3 357.407 2.029 20 5 FEBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443298092 560078578 /nfs/dbraw/zinc/07/85/78/560078578.db2.gz SYFYVSSTDINOKY-RNCFNFMXSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c(F)c1 ZINC000443768701 560092219 /nfs/dbraw/zinc/09/22/19/560092219.db2.gz GBNCXJHOCAXNTC-UHFFFAOYSA-N -1 3 364.358 2.131 20 5 FEBDHM CC(C)NC(=O)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444855495 560122728 /nfs/dbraw/zinc/12/27/28/560122728.db2.gz ICTDMJGANJGBLD-UHFFFAOYSA-N -1 3 358.354 2.015 20 5 FEBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191889 560130587 /nfs/dbraw/zinc/13/05/87/560130587.db2.gz YCEOWBWCAAKWLQ-WFASDCNBSA-N -1 3 356.382 2.261 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2)c(Br)c1 ZINC000446964102 560154432 /nfs/dbraw/zinc/15/44/32/560154432.db2.gz FVWPMIKBYXGXQJ-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451863317 560333235 /nfs/dbraw/zinc/33/32/35/560333235.db2.gz VZIDOIPOWZKKNJ-CZUORRHYSA-N -1 3 358.460 2.471 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)c1C ZINC000451932670 560338815 /nfs/dbraw/zinc/33/88/15/560338815.db2.gz ASYKHYGPUQSOQA-JQWIXIFHSA-N -1 3 350.400 2.392 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000451944883 560339883 /nfs/dbraw/zinc/33/98/83/560339883.db2.gz HBPBEESJWHIIPH-LDYMZIIASA-N -1 3 356.791 2.429 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000451944881 560339909 /nfs/dbraw/zinc/33/99/09/560339909.db2.gz HBPBEESJWHIIPH-KCJUWKMLSA-N -1 3 356.791 2.429 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CN2CCCC2)c1C ZINC000452090199 560350489 /nfs/dbraw/zinc/35/04/89/560350489.db2.gz URFMHXYHTNPYNR-UHFFFAOYSA-N -1 3 355.460 2.364 20 5 FEBDHM CN(Cc1ccccc1)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000452712894 560372028 /nfs/dbraw/zinc/37/20/28/560372028.db2.gz AMJATYZSHJWUNZ-UHFFFAOYSA-N -1 3 370.409 2.480 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000466519492 560888740 /nfs/dbraw/zinc/88/87/40/560888740.db2.gz QTBFVNWFLZKPKP-LBPRGKRZSA-N -1 3 368.342 2.155 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000467394722 560909393 /nfs/dbraw/zinc/90/93/93/560909393.db2.gz QWVLRCSVIPRMCH-LURJTMIESA-N -1 3 362.351 2.210 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000467771251 560916942 /nfs/dbraw/zinc/91/69/42/560916942.db2.gz YQVSNNPQKWNYPP-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000472709527 561033568 /nfs/dbraw/zinc/03/35/68/561033568.db2.gz YNWWXKGVLSRLJB-XADBCAIWSA-N -1 3 368.333 2.219 20 5 FEBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143991 561137877 /nfs/dbraw/zinc/13/78/77/561137877.db2.gz YUYCKALIEJBPIE-FUEXJSSKSA-N -1 3 356.400 2.079 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000535687040 562564108 /nfs/dbraw/zinc/56/41/08/562564108.db2.gz UPCLIOHXJFJAGU-UHFFFAOYSA-N -1 3 356.331 2.036 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000737521913 598825896 /nfs/dbraw/zinc/82/58/96/598825896.db2.gz CTRMYYOMLSDVEG-UHFFFAOYSA-N -1 3 362.353 2.390 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000737521913 598825898 /nfs/dbraw/zinc/82/58/98/598825898.db2.gz CTRMYYOMLSDVEG-UHFFFAOYSA-N -1 3 362.353 2.390 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccccc1[N+](=O)[O-] ZINC000737523048 598828266 /nfs/dbraw/zinc/82/82/66/598828266.db2.gz GKNKVBYQCYRURP-UHFFFAOYSA-N -1 3 362.353 2.390 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccccc1[N+](=O)[O-] ZINC000737523048 598828268 /nfs/dbraw/zinc/82/82/68/598828268.db2.gz GKNKVBYQCYRURP-UHFFFAOYSA-N -1 3 362.353 2.390 20 5 FEBDHM O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000823651236 599135849 /nfs/dbraw/zinc/13/58/49/599135849.db2.gz IUKNGIKDQNYHOX-UHFFFAOYSA-N -1 3 368.338 2.371 20 5 FEBDHM CCc1ccc(OC(=O)COc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736688423 599156654 /nfs/dbraw/zinc/15/66/54/599156654.db2.gz DHOOSBCULJWTJD-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM CCc1ccc(OC(=O)COc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736688423 599156656 /nfs/dbraw/zinc/15/66/56/599156656.db2.gz DHOOSBCULJWTJD-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822271069 599164408 /nfs/dbraw/zinc/16/44/08/599164408.db2.gz LCEYIGLRGMSEPB-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822271069 599164409 /nfs/dbraw/zinc/16/44/09/599164409.db2.gz LCEYIGLRGMSEPB-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738369596 599169854 /nfs/dbraw/zinc/16/98/54/599169854.db2.gz JQQISUXBQJRKSV-ZDUSSCGKSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738369596 599169855 /nfs/dbraw/zinc/16/98/55/599169855.db2.gz JQQISUXBQJRKSV-ZDUSSCGKSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000738370954 599176513 /nfs/dbraw/zinc/17/65/13/599176513.db2.gz YMXFWEPWZVNTLF-UHFFFAOYSA-N -1 3 369.410 2.304 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000738370954 599176516 /nfs/dbraw/zinc/17/65/16/599176516.db2.gz YMXFWEPWZVNTLF-UHFFFAOYSA-N -1 3 369.410 2.304 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738367998 598246701 /nfs/dbraw/zinc/24/67/01/598246701.db2.gz BEOYBODHQCSNDL-LLVKDONJSA-N -1 3 355.333 2.303 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738367998 598246702 /nfs/dbraw/zinc/24/67/02/598246702.db2.gz BEOYBODHQCSNDL-LLVKDONJSA-N -1 3 355.333 2.303 20 5 FEBDHM COc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000737039708 598289869 /nfs/dbraw/zinc/28/98/69/598289869.db2.gz BONYXRAKGOEAFM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000737039708 598289871 /nfs/dbraw/zinc/28/98/71/598289871.db2.gz BONYXRAKGOEAFM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738232043 598584653 /nfs/dbraw/zinc/58/46/53/598584653.db2.gz NUQKDLZDLSCKGT-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738232043 598584655 /nfs/dbraw/zinc/58/46/55/598584655.db2.gz NUQKDLZDLSCKGT-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737116905 598589100 /nfs/dbraw/zinc/58/91/00/598589100.db2.gz UBALHWFUICYHQJ-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737116905 598589103 /nfs/dbraw/zinc/58/91/03/598589103.db2.gz UBALHWFUICYHQJ-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737375005 598613380 /nfs/dbraw/zinc/61/33/80/598613380.db2.gz BIBQUWYDVIQLAO-ZDUSSCGKSA-N -1 3 353.342 2.332 20 5 FEBDHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737375005 598613382 /nfs/dbraw/zinc/61/33/82/598613382.db2.gz BIBQUWYDVIQLAO-ZDUSSCGKSA-N -1 3 353.342 2.332 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736948277 598644147 /nfs/dbraw/zinc/64/41/47/598644147.db2.gz IJZNUWHMYDVCKJ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736948277 598644148 /nfs/dbraw/zinc/64/41/48/598644148.db2.gz IJZNUWHMYDVCKJ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000736140353 598678791 /nfs/dbraw/zinc/67/87/91/598678791.db2.gz ULUGTSWPGLOSHU-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000736140353 598678794 /nfs/dbraw/zinc/67/87/94/598678794.db2.gz ULUGTSWPGLOSHU-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293287 607368483 /nfs/dbraw/zinc/36/84/83/607368483.db2.gz JPYLWBALNNWGQU-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293287 607368485 /nfs/dbraw/zinc/36/84/85/607368485.db2.gz JPYLWBALNNWGQU-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM COc1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821846221 599318333 /nfs/dbraw/zinc/31/83/33/599318333.db2.gz OJEGAOSDRXDQAQ-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM COc1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821846221 599318334 /nfs/dbraw/zinc/31/83/34/599318334.db2.gz OJEGAOSDRXDQAQ-UHFFFAOYSA-N -1 3 356.342 2.274 20 5 FEBDHM CNC(=O)c1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821635061 599355861 /nfs/dbraw/zinc/35/58/61/599355861.db2.gz KBLCVPXYQWBPHE-SNVBAGLBSA-N -1 3 367.369 2.308 20 5 FEBDHM CNC(=O)c1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821635061 599355864 /nfs/dbraw/zinc/35/58/64/599355864.db2.gz KBLCVPXYQWBPHE-SNVBAGLBSA-N -1 3 367.369 2.308 20 5 FEBDHM CC(C)(C)[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907311 599553724 /nfs/dbraw/zinc/55/37/24/599553724.db2.gz NHRSXWDUYAOOFM-CYBMUJFWSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)(C)[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907311 599553726 /nfs/dbraw/zinc/55/37/26/599553726.db2.gz NHRSXWDUYAOOFM-CYBMUJFWSA-N -1 3 357.374 2.142 20 5 FEBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cnn(C)c1 ZINC000820449747 599573950 /nfs/dbraw/zinc/57/39/50/599573950.db2.gz BWVQVCYLHNFLIJ-SECBINFHSA-N -1 3 365.357 2.230 20 5 FEBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cnn(C)c1 ZINC000820449747 599573953 /nfs/dbraw/zinc/57/39/53/599573953.db2.gz BWVQVCYLHNFLIJ-SECBINFHSA-N -1 3 365.357 2.230 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000826251860 607386449 /nfs/dbraw/zinc/38/64/49/607386449.db2.gz DKTNWKUIHGEJLN-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000826251860 607386451 /nfs/dbraw/zinc/38/64/51/607386451.db2.gz DKTNWKUIHGEJLN-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000826253943 607407038 /nfs/dbraw/zinc/40/70/38/607407038.db2.gz LUJWFPLDEAFKSM-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000826253943 607407039 /nfs/dbraw/zinc/40/70/39/607407039.db2.gz LUJWFPLDEAFKSM-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM CC(C)CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000736437491 600385307 /nfs/dbraw/zinc/38/53/07/600385307.db2.gz HSQXAMORHMPLKI-UHFFFAOYSA-N -1 3 363.414 2.485 20 5 FEBDHM O=C([O-])[C@H](c1ccc(F)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000739519316 600564734 /nfs/dbraw/zinc/56/47/34/600564734.db2.gz YJPWFGGEMMFNIS-BBRMVZONSA-N -1 3 360.345 2.441 20 5 FEBDHM CCN1CCCC[C@@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829771156 601444733 /nfs/dbraw/zinc/44/47/33/601444733.db2.gz TXPKDCMARTZYHY-SNVBAGLBSA-N -1 3 352.347 2.488 20 5 FEBDHM C[C@H]1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822292 674512870 /nfs/dbraw/zinc/51/28/70/674512870.db2.gz GUCUDMICIOGIKY-VIFPVBQESA-N -1 3 365.814 2.007 20 5 FEBDHM CN(C)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809835603 674514883 /nfs/dbraw/zinc/51/48/83/674514883.db2.gz KZKXFZAJWHSGCY-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000826904533 605483374 /nfs/dbraw/zinc/48/33/74/605483374.db2.gz VBRKMFCRJCLVPG-UHFFFAOYSA-N -1 3 364.402 2.388 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834104594 605817601 /nfs/dbraw/zinc/81/76/01/605817601.db2.gz DJNMEZUXCHBLMC-OIISXLGYSA-N -1 3 363.414 2.483 20 5 FEBDHM Cc1ccc([C@@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822233034 606476277 /nfs/dbraw/zinc/47/62/77/606476277.db2.gz GSFVBNDUOURLBA-AWEZNQCLSA-N -1 3 356.342 2.254 20 5 FEBDHM Cc1ccc([C@@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822233034 606476278 /nfs/dbraw/zinc/47/62/78/606476278.db2.gz GSFVBNDUOURLBA-AWEZNQCLSA-N -1 3 356.342 2.254 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634199 606644242 /nfs/dbraw/zinc/64/42/42/606644242.db2.gz CMVGKUYSHCSYMS-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823223815 606683023 /nfs/dbraw/zinc/68/30/23/606683023.db2.gz KMCHHFVWOVIOGQ-UHFFFAOYSA-N -1 3 374.307 2.026 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823223815 606683024 /nfs/dbraw/zinc/68/30/24/606683024.db2.gz KMCHHFVWOVIOGQ-UHFFFAOYSA-N -1 3 374.307 2.026 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647172 606725560 /nfs/dbraw/zinc/72/55/60/606725560.db2.gz HPIHKAPKXLTACX-CYBMUJFWSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647172 606725561 /nfs/dbraw/zinc/72/55/61/606725561.db2.gz HPIHKAPKXLTACX-CYBMUJFWSA-N -1 3 366.385 2.251 20 5 FEBDHM COCCN(Cc1ccc(C)o1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821690724 607117984 /nfs/dbraw/zinc/11/79/84/607117984.db2.gz XIBDFJLWAAULAS-UHFFFAOYSA-N -1 3 358.358 2.329 20 5 FEBDHM COCCN(Cc1ccc(C)o1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821690724 607117986 /nfs/dbraw/zinc/11/79/86/607117986.db2.gz XIBDFJLWAAULAS-UHFFFAOYSA-N -1 3 358.358 2.329 20 5 FEBDHM Cc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291741 607864479 /nfs/dbraw/zinc/86/44/79/607864479.db2.gz UKZPPBQQHSIERK-NSHDSACASA-N -1 3 369.337 2.456 20 5 FEBDHM Cc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291741 607864480 /nfs/dbraw/zinc/86/44/80/607864480.db2.gz UKZPPBQQHSIERK-NSHDSACASA-N -1 3 369.337 2.456 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824670757 607903145 /nfs/dbraw/zinc/90/31/45/607903145.db2.gz UYJDZHWUMUTDPV-ZJJDNZPOSA-N -1 3 373.398 2.080 20 5 FEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824670757 607903146 /nfs/dbraw/zinc/90/31/46/607903146.db2.gz UYJDZHWUMUTDPV-ZJJDNZPOSA-N -1 3 373.398 2.080 20 5 FEBDHM NC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCCC1 ZINC000826390974 607934427 /nfs/dbraw/zinc/93/44/27/607934427.db2.gz SJAKAOFAAQRWGG-ZDUSSCGKSA-N -1 3 359.390 2.011 20 5 FEBDHM NC(=O)C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC000826390974 607934428 /nfs/dbraw/zinc/93/44/28/607934428.db2.gz SJAKAOFAAQRWGG-ZDUSSCGKSA-N -1 3 359.390 2.011 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498169 607937059 /nfs/dbraw/zinc/93/70/59/607937059.db2.gz JSYAKQIDXDWOHP-BBRMVZONSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498169 607937060 /nfs/dbraw/zinc/93/70/60/607937060.db2.gz JSYAKQIDXDWOHP-BBRMVZONSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cc(F)ccc1-c1nnn[n-]1)C2 ZINC000826499914 607943508 /nfs/dbraw/zinc/94/35/08/607943508.db2.gz DPSINZPOPFXHAE-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cc(F)ccc1-c1nn[n-]n1)C2 ZINC000826499914 607943509 /nfs/dbraw/zinc/94/35/09/607943509.db2.gz DPSINZPOPFXHAE-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826248932 608004667 /nfs/dbraw/zinc/00/46/67/608004667.db2.gz CPLDGJUILSURKN-UHFFFAOYSA-N -1 3 352.354 2.056 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826248932 608004668 /nfs/dbraw/zinc/00/46/68/608004668.db2.gz CPLDGJUILSURKN-UHFFFAOYSA-N -1 3 352.354 2.056 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826439625 608008188 /nfs/dbraw/zinc/00/81/88/608008188.db2.gz CKJSKHKWMZBIBZ-UHFFFAOYSA-N -1 3 374.307 2.026 20 5 FEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826439625 608008189 /nfs/dbraw/zinc/00/81/89/608008189.db2.gz CKJSKHKWMZBIBZ-UHFFFAOYSA-N -1 3 374.307 2.026 20 5 FEBDHM Cc1ccnc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1[N+](=O)[O-] ZINC000826311417 608051942 /nfs/dbraw/zinc/05/19/42/608051942.db2.gz DMBMIJOGCUBSPD-CQSZACIVSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1ccnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1[N+](=O)[O-] ZINC000826311417 608051943 /nfs/dbraw/zinc/05/19/43/608051943.db2.gz DMBMIJOGCUBSPD-CQSZACIVSA-N -1 3 367.369 2.056 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826497814 608296541 /nfs/dbraw/zinc/29/65/41/608296541.db2.gz VTVYZFBIBZZMJJ-CHWSQXEVSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826497814 608296543 /nfs/dbraw/zinc/29/65/43/608296543.db2.gz VTVYZFBIBZZMJJ-CHWSQXEVSA-N -1 3 358.402 2.418 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826172840 608346235 /nfs/dbraw/zinc/34/62/35/608346235.db2.gz ZYGPTCAXVLDYPS-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826172840 608346237 /nfs/dbraw/zinc/34/62/37/608346237.db2.gz ZYGPTCAXVLDYPS-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM C[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824477630 608433008 /nfs/dbraw/zinc/43/30/08/608433008.db2.gz BCRXWGWEFBBPHF-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824477630 608433009 /nfs/dbraw/zinc/43/30/09/608433009.db2.gz BCRXWGWEFBBPHF-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824563472 608468508 /nfs/dbraw/zinc/46/85/08/608468508.db2.gz PCVKAUWHZVGGTA-VIFPVBQESA-N -1 3 373.398 2.126 20 5 FEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826468327 609303652 /nfs/dbraw/zinc/30/36/52/609303652.db2.gz LMUARTGWEOKEFJ-UHFFFAOYSA-N -1 3 361.264 2.472 20 5 FEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826468327 609303654 /nfs/dbraw/zinc/30/36/54/609303654.db2.gz LMUARTGWEOKEFJ-UHFFFAOYSA-N -1 3 361.264 2.472 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2cc(F)c(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826500598 609572510 /nfs/dbraw/zinc/57/25/10/609572510.db2.gz DOCQLNUCEATZPD-UHFFFAOYSA-N -1 3 365.275 2.242 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2cc(F)c(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826500598 609572512 /nfs/dbraw/zinc/57/25/12/609572512.db2.gz DOCQLNUCEATZPD-UHFFFAOYSA-N -1 3 365.275 2.242 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C ZINC000815018451 674897962 /nfs/dbraw/zinc/89/79/62/674897962.db2.gz QBSFRIFGFXYWGN-DTWKUNHWSA-N -1 3 365.814 2.148 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110786118 670851136 /nfs/dbraw/zinc/85/11/36/670851136.db2.gz MKAUHLRQAIABCS-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110786118 670851144 /nfs/dbraw/zinc/85/11/44/670851144.db2.gz MKAUHLRQAIABCS-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM COCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000575732558 671316104 /nfs/dbraw/zinc/31/61/04/671316104.db2.gz MYERJCFLNLPGID-UHFFFAOYSA-N -1 3 354.306 2.071 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(CC2CC2)C1 ZINC000609387863 675921094 /nfs/dbraw/zinc/92/10/94/675921094.db2.gz LNBWRQZHGRCKDO-LLVKDONJSA-N -1 3 359.835 2.011 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)c(F)c1 ZINC000120895393 671937801 /nfs/dbraw/zinc/93/78/01/671937801.db2.gz CTHJBAJDUHYAQD-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000121896138 671959768 /nfs/dbraw/zinc/95/97/68/671959768.db2.gz SUCWNKBWRMLUMB-OAHLLOKOSA-N -1 3 372.374 2.130 20 5 FEBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583233154 672075764 /nfs/dbraw/zinc/07/57/64/672075764.db2.gz WMDCRWICCLDFLR-SFYZADRCSA-N -1 3 356.322 2.315 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(C)o1 ZINC000590549220 672588525 /nfs/dbraw/zinc/58/85/25/672588525.db2.gz CPYBNINNUHFZJM-UHFFFAOYSA-N -1 3 367.383 2.273 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000249690163 672873693 /nfs/dbraw/zinc/87/36/93/672873693.db2.gz QHQVBARMSKTBLP-VXGBXAGGSA-N -1 3 359.423 2.133 20 5 FEBDHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593553025 672940741 /nfs/dbraw/zinc/94/07/41/672940741.db2.gz OYOIFLWRLHWXFS-GFCCVEGCSA-N -1 3 365.411 2.471 20 5 FEBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccnc1 ZINC000593556867 672942038 /nfs/dbraw/zinc/94/20/38/672942038.db2.gz AGHJWYWRZBUCSG-CQSZACIVSA-N -1 3 350.400 2.103 20 5 FEBDHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593556469 672942317 /nfs/dbraw/zinc/94/23/17/672942317.db2.gz MRXDPXYTAXOKRS-LBPRGKRZSA-N -1 3 351.384 2.044 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c(F)c1 ZINC000593630349 672964113 /nfs/dbraw/zinc/96/41/13/672964113.db2.gz VMGPQISCSHCROZ-OAHLLOKOSA-N -1 3 358.391 2.217 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1F ZINC000594857670 673166678 /nfs/dbraw/zinc/16/66/78/673166678.db2.gz NQIAEXFBOLZMDU-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 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ZINC000015963417 539625705 /nfs/dbraw/zinc/62/57/05/539625705.db2.gz AGRXAIPBGVVTEA-UHFFFAOYSA-N -1 3 350.356 2.438 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000032402465 539936646 /nfs/dbraw/zinc/93/66/46/539936646.db2.gz FXQWLBZKNPDSLD-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1C ZINC000800929890 674090955 /nfs/dbraw/zinc/09/09/55/674090955.db2.gz ADFDFVPEGBVALQ-UHFFFAOYSA-N -1 3 373.774 2.174 20 5 FEBDHM CN(C)C(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000046322291 540252095 /nfs/dbraw/zinc/25/20/95/540252095.db2.gz PBNZUGRXKWASFI-UHFFFAOYSA-N -1 3 353.338 2.425 20 5 FEBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055945673 540689144 /nfs/dbraw/zinc/68/91/44/540689144.db2.gz VQRFQRFNKVODAC-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056058103 540697133 /nfs/dbraw/zinc/69/71/33/540697133.db2.gz FHKUQNPYNYPOSS-UHFFFAOYSA-N -1 3 367.358 2.171 20 5 FEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000068940342 541643240 /nfs/dbraw/zinc/64/32/40/541643240.db2.gz SVVXSTQKPWQWHL-UHFFFAOYSA-N -1 3 358.322 2.230 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069126133 541661282 /nfs/dbraw/zinc/66/12/82/541661282.db2.gz DMFAOCJPZJFHJH-SECBINFHSA-N -1 3 358.807 2.330 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000072728893 541858814 /nfs/dbraw/zinc/85/88/14/541858814.db2.gz WKZSMJCHLNXHGW-CHWSQXEVSA-N -1 3 350.400 2.254 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000073890488 542010953 /nfs/dbraw/zinc/01/09/53/542010953.db2.gz PISAGJSMKUFDJC-ZDUSSCGKSA-N -1 3 361.423 2.324 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@H]12 ZINC000076408255 542275468 /nfs/dbraw/zinc/27/54/68/542275468.db2.gz ATUWWGUHSOSBHT-NWDGAFQWSA-N -1 3 359.835 2.153 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000046033904 208354380 /nfs/dbraw/zinc/35/43/80/208354380.db2.gz AKBXTIFAGUHLSM-ZDUSSCGKSA-N -1 3 362.407 2.433 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000125632925 543893303 /nfs/dbraw/zinc/89/33/03/543893303.db2.gz YLTRJWXYWQPDEH-UHFFFAOYSA-N -1 3 371.802 2.309 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1nc(C)c(C)s1 ZINC000152183102 544622553 /nfs/dbraw/zinc/62/25/53/544622553.db2.gz DYVFHHRNLNFXAM-UHFFFAOYSA-N -1 3 371.440 2.198 20 5 FEBDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])n2C ZINC000184354325 327863564 /nfs/dbraw/zinc/86/35/64/327863564.db2.gz KXJIJKUTWUFUHB-UHFFFAOYSA-N -1 3 360.395 2.268 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1nc(C)cs1 ZINC000186485501 327964181 /nfs/dbraw/zinc/96/41/81/327964181.db2.gz YODAKEGDEVJCEK-SECBINFHSA-N -1 3 371.440 2.450 20 5 FEBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188044250 328062437 /nfs/dbraw/zinc/06/24/37/328062437.db2.gz DRWTVDUYPGREEF-UHFFFAOYSA-N -1 3 356.382 2.090 20 5 FEBDHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188273207 328077074 /nfs/dbraw/zinc/07/70/74/328077074.db2.gz RRFSTSXDMKHPFQ-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000189748463 328165757 /nfs/dbraw/zinc/16/57/57/328165757.db2.gz PLCGWURXUYTUHJ-MRVPVSSYSA-N -1 3 360.164 2.447 20 5 FEBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078983279 325069859 /nfs/dbraw/zinc/06/98/59/325069859.db2.gz IJQGYDYFCYRPIX-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM COc1cc(CNCC(=O)N2CCCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000237365810 328513948 /nfs/dbraw/zinc/51/39/48/328513948.db2.gz AITAAXBAGFUDQO-UHFFFAOYSA-N -1 3 371.393 2.378 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000113303156 325840822 /nfs/dbraw/zinc/84/08/22/325840822.db2.gz ZRRHCNPBNNMFQD-UHFFFAOYSA-N -1 3 363.395 2.210 20 5 FEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119147227 326131449 /nfs/dbraw/zinc/13/14/49/326131449.db2.gz ZETOZQATSYAKPG-GFCCVEGCSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1C ZINC000120900611 326297761 /nfs/dbraw/zinc/29/77/61/326297761.db2.gz GOBXAXHYGICZMH-GLQYFDAESA-N -1 3 354.428 2.303 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000125624959 326474842 /nfs/dbraw/zinc/47/48/42/326474842.db2.gz SEKHSESVERRABA-UHFFFAOYSA-N -1 3 357.775 2.001 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000125697843 326476401 /nfs/dbraw/zinc/47/64/01/326476401.db2.gz LXPVQLXDNZDQEX-YGRLFVJLSA-N -1 3 370.452 2.235 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000155261667 326782839 /nfs/dbraw/zinc/78/28/39/326782839.db2.gz DWNDBYTXQAOCRZ-UHFFFAOYSA-N -1 3 370.818 2.342 20 5 FEBDHM COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000157803255 326875770 /nfs/dbraw/zinc/87/57/70/326875770.db2.gz JNQSAEHGICVJTB-QGZVFWFLSA-N -1 3 350.346 2.445 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000158725272 326905515 /nfs/dbraw/zinc/90/55/15/326905515.db2.gz FMONPSFURCNTRV-VIFPVBQESA-N -1 3 369.399 2.290 20 5 FEBDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000159226310 326923479 /nfs/dbraw/zinc/92/34/79/326923479.db2.gz LHPNDVDISFHYOW-UHFFFAOYSA-N -1 3 350.824 2.325 20 5 FEBDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000167617300 327085581 /nfs/dbraw/zinc/08/55/81/327085581.db2.gz DABCOAVCNITPCB-UHFFFAOYSA-N -1 3 370.406 2.071 20 5 FEBDHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000167704321 327085938 /nfs/dbraw/zinc/08/59/38/327085938.db2.gz JIPFFKCNLRMGEY-UHFFFAOYSA-N -1 3 355.803 2.473 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000173538393 327264969 /nfs/dbraw/zinc/26/49/69/327264969.db2.gz LZGUMRJNVLTATF-UONOGXRCSA-N -1 3 368.390 2.393 20 5 FEBDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178563517 327592521 /nfs/dbraw/zinc/59/25/21/327592521.db2.gz AOWSWARVTHHRRH-LBPRGKRZSA-N -1 3 350.824 2.324 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000266260306 329205613 /nfs/dbraw/zinc/20/56/13/329205613.db2.gz ZDJBGELNBRITIB-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000267623785 329344203 /nfs/dbraw/zinc/34/42/03/329344203.db2.gz LXSYAKCEAADWAZ-VIFPVBQESA-N -1 3 357.413 2.237 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000267637972 329345760 /nfs/dbraw/zinc/34/57/60/329345760.db2.gz IWQFUNKRGYDJQZ-JTQLQIEISA-N -1 3 358.807 2.120 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000268937417 329470017 /nfs/dbraw/zinc/47/00/17/329470017.db2.gz AETBSEGWRTWBMY-LBPRGKRZSA-N -1 3 370.427 2.374 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270674241 329621029 /nfs/dbraw/zinc/62/10/29/329621029.db2.gz XAVPULFDAUPLCK-IAQYHMDHSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000273548897 329873843 /nfs/dbraw/zinc/87/38/43/329873843.db2.gz MCGQLQJWHLDWMV-NEPJUHHUSA-N -1 3 358.416 2.087 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])[n-]c21 ZINC000157778431 545783112 /nfs/dbraw/zinc/78/31/12/545783112.db2.gz HHBOQAPISVLTEA-UHFFFAOYSA-N -1 3 354.322 2.439 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000157778431 545783117 /nfs/dbraw/zinc/78/31/17/545783117.db2.gz HHBOQAPISVLTEA-UHFFFAOYSA-N -1 3 354.322 2.439 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1c(C)noc1C ZINC000158788955 545894647 /nfs/dbraw/zinc/89/46/47/545894647.db2.gz RJUCABHLGAIXGP-SECBINFHSA-N -1 3 369.399 2.290 20 5 FEBDHM CC(C)c1cc(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])on1 ZINC000162849471 546142846 /nfs/dbraw/zinc/14/28/46/546142846.db2.gz MVNQKGXPWCBWRG-UHFFFAOYSA-N -1 3 353.400 2.368 20 5 FEBDHM Cn1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000479205417 561184512 /nfs/dbraw/zinc/18/45/12/561184512.db2.gz DOFZUBRVKCMYDD-UHFFFAOYSA-N -1 3 374.216 2.174 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000480733836 561215432 /nfs/dbraw/zinc/21/54/32/561215432.db2.gz GVRNEIHATMVAAO-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480926087 561220480 /nfs/dbraw/zinc/22/04/80/561220480.db2.gz KIPWSGKIHBAGHO-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H](C)CC ZINC000481006883 561222679 /nfs/dbraw/zinc/22/26/79/561222679.db2.gz QHQKFSAORICRNX-QMTHXVAHSA-N -1 3 372.443 2.468 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000481068437 561224366 /nfs/dbraw/zinc/22/43/66/561224366.db2.gz GVWYIRGFFYOWTP-UHFFFAOYSA-N -1 3 350.400 2.473 20 5 FEBDHM Cc1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185419669 547983106 /nfs/dbraw/zinc/98/31/06/547983106.db2.gz QOJZNYQFAIFUNN-UHFFFAOYSA-N -1 3 364.408 2.386 20 5 FEBDHM CCN1CCC(n2nccc2NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000185772554 548034004 /nfs/dbraw/zinc/03/40/04/548034004.db2.gz OULKSAXYRHILNX-UHFFFAOYSA-N -1 3 359.386 2.406 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1ncc(C)s1 ZINC000186725877 548180456 /nfs/dbraw/zinc/18/04/56/548180456.db2.gz GEHSXMMWTGYYLD-SECBINFHSA-N -1 3 371.440 2.450 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2cnc3nccnc3c2)c(C)c([N+](=O)[O-])c1 ZINC000485956903 561333452 /nfs/dbraw/zinc/33/34/52/561333452.db2.gz MZCJNZCZNRZLAK-UHFFFAOYSA-N -1 3 367.321 2.280 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000490083806 561426100 /nfs/dbraw/zinc/42/61/00/561426100.db2.gz FWGHZRUJXIWGAK-CYBMUJFWSA-N -1 3 362.473 2.430 20 5 FEBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000490521501 561434458 /nfs/dbraw/zinc/43/44/58/561434458.db2.gz UFGNNQGOGUAILF-UHFFFAOYSA-N -1 3 353.400 2.463 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000268264871 550041987 /nfs/dbraw/zinc/04/19/87/550041987.db2.gz NINRQBOZDFHWBY-AWEZNQCLSA-N -1 3 366.395 2.269 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c(Cl)c1 ZINC000268810315 550118862 /nfs/dbraw/zinc/11/88/62/550118862.db2.gz TWRUUZVWVHCOMB-LLVKDONJSA-N -1 3 356.791 2.327 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000269833089 550229225 /nfs/dbraw/zinc/22/92/25/550229225.db2.gz ZSHULWUIKXJHHY-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC000271712904 550396939 /nfs/dbraw/zinc/39/69/39/550396939.db2.gz RVULHSQCDACDET-AAEUAGOBSA-N -1 3 358.416 2.085 20 5 FEBDHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274928329 550565317 /nfs/dbraw/zinc/56/53/17/550565317.db2.gz KVQYOXJMSJLBDT-UHFFFAOYSA-N -1 3 359.382 2.210 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F ZINC000277521815 550680419 /nfs/dbraw/zinc/68/04/19/550680419.db2.gz SUPFFSARRXXNDY-UHFFFAOYSA-N -1 3 374.312 2.099 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000281589516 551117338 /nfs/dbraw/zinc/11/73/38/551117338.db2.gz JHEIHZKZFKMUPA-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM CCOC(=O)c1ncc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])s1 ZINC000499534062 561553146 /nfs/dbraw/zinc/55/31/46/561553146.db2.gz WBIIXKHKYDWMAR-UHFFFAOYSA-N -1 3 351.340 2.489 20 5 FEBDHM COC(=O)c1nc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])sc1C(C)C ZINC000292902801 552769787 /nfs/dbraw/zinc/76/97/87/552769787.db2.gz CEFFGPBQEKTURN-UHFFFAOYSA-N -1 3 353.360 2.245 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000293002568 552779376 /nfs/dbraw/zinc/77/93/76/552779376.db2.gz NXUFDHOCYFMBFA-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1OC ZINC000294639041 552922816 /nfs/dbraw/zinc/92/28/16/552922816.db2.gz ZEZTYLPYFWSBKO-UHFFFAOYSA-N -1 3 373.431 2.231 20 5 FEBDHM Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000298747678 553467572 /nfs/dbraw/zinc/46/75/72/553467572.db2.gz LVTUEFJBGYDDNY-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000503963850 561650772 /nfs/dbraw/zinc/65/07/72/561650772.db2.gz OYJHWJYXQDNGBO-AWEZNQCLSA-N -1 3 362.407 2.439 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000507550629 561732931 /nfs/dbraw/zinc/73/29/31/561732931.db2.gz YVQJKOSFTMRLNL-LBPRGKRZSA-N -1 3 364.379 2.022 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC(C)(C)OC1(C)C ZINC000330693403 554158345 /nfs/dbraw/zinc/15/83/45/554158345.db2.gz HVXJAUNMXVJBSB-ZDUSSCGKSA-N -1 3 358.416 2.228 20 5 FEBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331232365 554234222 /nfs/dbraw/zinc/23/42/22/554234222.db2.gz RDBFRCFQRWGLPE-LLVKDONJSA-N -1 3 361.851 2.399 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)Nc2ccccc2)cc1C ZINC000509662328 561809787 /nfs/dbraw/zinc/80/97/87/561809787.db2.gz AXFMLYKTABBSCC-UHFFFAOYSA-N -1 3 363.395 2.129 20 5 FEBDHM CN(C)CCOc1ccccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000509831613 561815379 /nfs/dbraw/zinc/81/53/79/561815379.db2.gz FTXJSGLBIRXLQY-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccncc1F ZINC000510622654 561841018 /nfs/dbraw/zinc/84/10/18/561841018.db2.gz QLNSYALINQKNMB-SECBINFHSA-N -1 3 355.347 2.177 20 5 FEBDHM C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000510692241 561843752 /nfs/dbraw/zinc/84/37/52/561843752.db2.gz AHMKYNHEYDWWRA-QFIPXVFZSA-N -1 3 374.465 2.013 20 5 FEBDHM Cc1cc(C)cc(-c2cc(=NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[nH][n-]2)c1 ZINC000610999498 554592601 /nfs/dbraw/zinc/59/26/01/554592601.db2.gz IFUJNRKYRLSZGT-UHFFFAOYSA-N -1 3 367.365 2.402 20 5 FEBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000363279887 555069877 /nfs/dbraw/zinc/06/98/77/555069877.db2.gz GBXREXGIUYHVJP-AWEZNQCLSA-N -1 3 356.382 2.042 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)n1 ZINC000617422558 555437338 /nfs/dbraw/zinc/43/73/38/555437338.db2.gz QYNPSYARRGYYOZ-UHFFFAOYSA-N -1 3 356.342 2.462 20 5 FEBDHM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000365593830 555618002 /nfs/dbraw/zinc/61/80/02/555618002.db2.gz XPVIEKRJSFUZRN-NSHDSACASA-N -1 3 370.818 2.046 20 5 FEBDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000366760986 555927485 /nfs/dbraw/zinc/92/74/85/555927485.db2.gz KRZMHQLLAFZGRV-LBPRGKRZSA-N -1 3 353.425 2.121 20 5 FEBDHM Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368999 556289984 /nfs/dbraw/zinc/28/99/84/556289984.db2.gz GJPYICXUZZMAAF-XJKSGUPXSA-N -1 3 370.409 2.397 20 5 FEBDHM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000369677513 556665774 /nfs/dbraw/zinc/66/57/74/556665774.db2.gz GCRVDMXSTFXNLJ-CYBMUJFWSA-N -1 3 364.379 2.406 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cn3cc(C)ccc3n2)cc1[N+](=O)[O-] ZINC000517635006 562094152 /nfs/dbraw/zinc/09/41/52/562094152.db2.gz SILWCNMISIMDNC-UHFFFAOYSA-N -1 3 366.424 2.399 20 5 FEBDHM O=C([N-]C1(CO)Cc2ccccc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000372437223 557469852 /nfs/dbraw/zinc/46/98/52/557469852.db2.gz LXYADPMYBOYYGA-UHFFFAOYSA-N -1 3 362.332 2.333 20 5 FEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c[n-]nc1-c1ccccn1 ZINC000519669012 562139321 /nfs/dbraw/zinc/13/93/21/562139321.db2.gz BBWZCUWOVVUGLK-UHFFFAOYSA-N -1 3 353.338 2.189 20 5 FEBDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000522059030 562190556 /nfs/dbraw/zinc/19/05/56/562190556.db2.gz MIRHPAYNWWMJDX-INIZCTEOSA-N -1 3 356.444 2.346 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000378652609 558601266 /nfs/dbraw/zinc/60/12/66/558601266.db2.gz VMSQCHWTQNZTGR-CYBMUJFWSA-N -1 3 370.333 2.426 20 5 FEBDHM COc1c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000527235858 562281581 /nfs/dbraw/zinc/28/15/81/562281581.db2.gz IIXUKZAWFCMBRV-UHFFFAOYSA-N -1 3 353.338 2.496 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000416387034 559309218 /nfs/dbraw/zinc/30/92/18/559309218.db2.gz LKZJMLYXFXCNOE-VIFPVBQESA-N -1 3 354.306 2.071 20 5 FEBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416399698 559310273 /nfs/dbraw/zinc/31/02/73/559310273.db2.gz DRXYVLUJORHOTH-SECBINFHSA-N -1 3 356.322 2.317 20 5 FEBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453905 559313973 /nfs/dbraw/zinc/31/39/73/559313973.db2.gz DEUDBGBCZBSACR-LBPRGKRZSA-N -1 3 370.349 2.443 20 5 FEBDHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455950 559314299 /nfs/dbraw/zinc/31/42/99/559314299.db2.gz KXRQXJIEBWTQEX-YUMQZZPRSA-N -1 3 356.322 2.051 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCCCO ZINC000416474258 559315901 /nfs/dbraw/zinc/31/59/01/559315901.db2.gz GTOIHDQCWRUGSR-UHFFFAOYSA-N -1 3 356.322 2.055 20 5 FEBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416508468 559318612 /nfs/dbraw/zinc/31/86/12/559318612.db2.gz OJBVFRIHEDXZJR-UHFFFAOYSA-N -1 3 369.365 2.232 20 5 FEBDHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416549528 559321128 /nfs/dbraw/zinc/32/11/28/559321128.db2.gz OXAHIBLVLSNIFY-HUUCEWRRSA-N -1 3 356.400 2.079 20 5 FEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000416552314 559321282 /nfs/dbraw/zinc/32/12/82/559321282.db2.gz BQSKUEHNSLNXKI-GJZGRUSLSA-N -1 3 354.428 2.448 20 5 FEBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416575294 559322748 /nfs/dbraw/zinc/32/27/48/559322748.db2.gz BBSQONFOKHTUKM-WBVHZDCISA-N -1 3 362.407 2.327 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000416619677 559325505 /nfs/dbraw/zinc/32/55/05/559325505.db2.gz XSWFRTGPWDBBMT-CYBMUJFWSA-N -1 3 368.386 2.097 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000425188556 559690227 /nfs/dbraw/zinc/69/02/27/559690227.db2.gz BHZVVRBPBYOFSH-FZMZJTMJSA-N -1 3 368.411 2.096 20 5 FEBDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)no1 ZINC000432265093 559855097 /nfs/dbraw/zinc/85/50/97/559855097.db2.gz PKXXQEIQJZRNOS-HNNXBMFYSA-N -1 3 366.399 2.198 20 5 FEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436487637 559942991 /nfs/dbraw/zinc/94/29/91/559942991.db2.gz SYUAWEKBKUDFHH-UHFFFAOYSA-N -1 3 370.365 2.290 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)NCc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000436886649 559955364 /nfs/dbraw/zinc/95/53/64/559955364.db2.gz HPRFOUKINQSXCM-UHFFFAOYSA-N -1 3 371.393 2.354 20 5 FEBDHM COc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000443573009 560087766 /nfs/dbraw/zinc/08/77/66/560087766.db2.gz IJQGLUMTOKNCTO-UHFFFAOYSA-N -1 3 359.338 2.068 20 5 FEBDHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444864046 560122894 /nfs/dbraw/zinc/12/28/94/560122894.db2.gz ZXOWSFFBTAMBCG-UHFFFAOYSA-N -1 3 372.381 2.359 20 5 FEBDHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445156252 560129958 /nfs/dbraw/zinc/12/99/58/560129958.db2.gz FOVIRRWSDMKHDR-JTQLQIEISA-N -1 3 359.338 2.299 20 5 FEBDHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000451746532 560326142 /nfs/dbraw/zinc/32/61/42/560326142.db2.gz INNGZBRGVQCEQI-NWDGAFQWSA-N -1 3 370.427 2.486 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000452056880 560348503 /nfs/dbraw/zinc/34/85/03/560348503.db2.gz XPXVOSQUTQCCTP-UHFFFAOYSA-N -1 3 372.443 2.213 20 5 FEBDHM O=C([N-]c1nc2n(n1)CCCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457122237 560550845 /nfs/dbraw/zinc/55/08/45/560550845.db2.gz MHCBHLJKZYNIMU-UHFFFAOYSA-N -1 3 353.285 2.376 20 5 FEBDHM CC(C)CC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000465482197 560866238 /nfs/dbraw/zinc/86/62/38/560866238.db2.gz GFTHSPPRINBZDC-UHFFFAOYSA-N -1 3 370.427 2.471 20 5 FEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000466448437 560887040 /nfs/dbraw/zinc/88/70/40/560887040.db2.gz JSYQOZSUQUTGTI-UHFFFAOYSA-N -1 3 374.740 2.454 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467395764 560909506 /nfs/dbraw/zinc/90/95/06/560909506.db2.gz VCPUFUWLELWJAD-MNOVXSKESA-N -1 3 361.489 2.363 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000468844883 560940328 /nfs/dbraw/zinc/94/03/28/560940328.db2.gz DYUBDHQWZPPFFF-SECBINFHSA-N -1 3 370.408 2.482 20 5 FEBDHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619395 560986067 /nfs/dbraw/zinc/98/60/67/560986067.db2.gz DTNLRBHDXXEIBH-JHJVBQTASA-N -1 3 373.450 2.379 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c1C ZINC000472695549 561033232 /nfs/dbraw/zinc/03/32/32/561033232.db2.gz BWIPRYJVOBITRF-GFCCVEGCSA-N -1 3 356.425 2.285 20 5 FEBDHM C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000476616716 561124473 /nfs/dbraw/zinc/12/44/73/561124473.db2.gz BLRHRHIYQVVDIQ-LBPRGKRZSA-N -1 3 359.423 2.277 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000477161655 561138225 /nfs/dbraw/zinc/13/82/25/561138225.db2.gz KMUCUCVOAXTKPW-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM Cn1c(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000534757878 562541933 /nfs/dbraw/zinc/54/19/33/562541933.db2.gz DKIWHCRFTRYLSQ-UHFFFAOYSA-N -1 3 372.381 2.130 20 5 FEBDHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535533614 562560696 /nfs/dbraw/zinc/56/06/96/562560696.db2.gz SCQSFYCXOJTKNT-SECBINFHSA-N -1 3 364.807 2.258 20 5 FEBDHM CN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)CC1 ZINC000541173008 562605062 /nfs/dbraw/zinc/60/50/62/562605062.db2.gz KOKRBQPWNZZCFH-UHFFFAOYSA-N -1 3 370.409 2.300 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000569148116 568291065 /nfs/dbraw/zinc/29/10/65/568291065.db2.gz FVJJOUSUWJJFAI-NSHDSACASA-N -1 3 364.379 2.058 20 5 FEBDHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570338546 568473738 /nfs/dbraw/zinc/47/37/38/568473738.db2.gz XQUVMFQRMBLMSJ-HNNXBMFYSA-N -1 3 360.366 2.165 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc([N+](=O)[O-])c1 ZINC000737526172 598828385 /nfs/dbraw/zinc/82/83/85/598828385.db2.gz XPXSJRGCHJISPS-UHFFFAOYSA-N -1 3 362.353 2.390 20 5 FEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc([N+](=O)[O-])c1 ZINC000737526172 598828387 /nfs/dbraw/zinc/82/83/87/598828387.db2.gz XPXSJRGCHJISPS-UHFFFAOYSA-N -1 3 362.353 2.390 20 5 FEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736037448 598884524 /nfs/dbraw/zinc/88/45/24/598884524.db2.gz GZSVVUZOXBBIQL-NSHDSACASA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736037448 598884525 /nfs/dbraw/zinc/88/45/25/598884525.db2.gz GZSVVUZOXBBIQL-NSHDSACASA-N -1 3 369.337 2.399 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccn3)cc(-c3nnn[n-]3)c2c1 ZINC000738367618 599254540 /nfs/dbraw/zinc/25/45/40/599254540.db2.gz WITHRXSWPMZQSD-UHFFFAOYSA-N -1 3 362.353 2.373 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccn3)cc(-c3nn[n-]n3)c2c1 ZINC000738367618 599254542 /nfs/dbraw/zinc/25/45/42/599254542.db2.gz WITHRXSWPMZQSD-UHFFFAOYSA-N -1 3 362.353 2.373 20 5 FEBDHM CC(C)(C)c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735648150 599258874 /nfs/dbraw/zinc/25/88/74/599258874.db2.gz NKKKVOPEPDNBGR-UHFFFAOYSA-N -1 3 367.369 2.142 20 5 FEBDHM CC(C)(C)c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735648150 599258875 /nfs/dbraw/zinc/25/88/75/599258875.db2.gz NKKKVOPEPDNBGR-UHFFFAOYSA-N -1 3 367.369 2.142 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737796471 598306220 /nfs/dbraw/zinc/30/62/20/598306220.db2.gz GZQPGZHJJUQCSK-FPYGCLRLSA-N -1 3 368.328 2.244 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737796471 598306221 /nfs/dbraw/zinc/30/62/21/598306221.db2.gz GZQPGZHJJUQCSK-FPYGCLRLSA-N -1 3 368.328 2.244 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737117458 598391080 /nfs/dbraw/zinc/39/10/80/598391080.db2.gz VVDFGJBDKKZKLT-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737117458 598391082 /nfs/dbraw/zinc/39/10/82/598391082.db2.gz VVDFGJBDKKZKLT-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM Cc1csc(CCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737452890 598500548 /nfs/dbraw/zinc/50/05/48/598500548.db2.gz PVEROGWLUVOOJY-UHFFFAOYSA-N -1 3 360.403 2.370 20 5 FEBDHM Cc1csc(CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737452890 598500550 /nfs/dbraw/zinc/50/05/50/598500550.db2.gz PVEROGWLUVOOJY-UHFFFAOYSA-N -1 3 360.403 2.370 20 5 FEBDHM Cc1csc([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737454759 598500853 /nfs/dbraw/zinc/50/08/53/598500853.db2.gz GFGIPQJHTROVDF-NSHDSACASA-N -1 3 358.387 2.276 20 5 FEBDHM Cc1csc([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737454759 598500854 /nfs/dbraw/zinc/50/08/54/598500854.db2.gz GFGIPQJHTROVDF-NSHDSACASA-N -1 3 358.387 2.276 20 5 FEBDHM C[C@H](c1ccccc1)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736203262 598628444 /nfs/dbraw/zinc/62/84/44/598628444.db2.gz LZMQFLFLPOASAE-IAQYHMDHSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@H](c1ccccc1)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736203262 598628445 /nfs/dbraw/zinc/62/84/45/598628445.db2.gz LZMQFLFLPOASAE-IAQYHMDHSA-N -1 3 354.370 2.351 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737115994 598709697 /nfs/dbraw/zinc/70/96/97/598709697.db2.gz QSLTXZZTVNDMAS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737115994 598709699 /nfs/dbraw/zinc/70/96/99/598709699.db2.gz QSLTXZZTVNDMAS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1cc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000826261021 607368664 /nfs/dbraw/zinc/36/86/64/607368664.db2.gz NYYFQUYLXBWZSU-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000826261021 607368666 /nfs/dbraw/zinc/36/86/66/607368666.db2.gz NYYFQUYLXBWZSU-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645517 599489408 /nfs/dbraw/zinc/48/94/08/599489408.db2.gz SKVMCPITOXYIED-SNVBAGLBSA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645517 599489411 /nfs/dbraw/zinc/48/94/11/599489411.db2.gz SKVMCPITOXYIED-SNVBAGLBSA-N -1 3 355.358 2.162 20 5 FEBDHM CN(C[C@@H]1CCCOC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596859 599544763 /nfs/dbraw/zinc/54/47/63/599544763.db2.gz WYPSTTLMDBCLPT-NSHDSACASA-N -1 3 369.385 2.186 20 5 FEBDHM CN(C[C@@H]1CCCOC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596859 599544765 /nfs/dbraw/zinc/54/47/65/599544765.db2.gz WYPSTTLMDBCLPT-NSHDSACASA-N -1 3 369.385 2.186 20 5 FEBDHM COc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826206416 607596137 /nfs/dbraw/zinc/59/61/37/607596137.db2.gz RWUOKVFWVMKBEJ-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826206416 607596138 /nfs/dbraw/zinc/59/61/38/607596138.db2.gz RWUOKVFWVMKBEJ-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM C[C@](CNC(=O)[O-])(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000824952155 605166644 /nfs/dbraw/zinc/16/66/44/605166644.db2.gz KUBCQXCLPGYHRB-OAHLLOKOSA-N -1 3 370.793 2.213 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639964 606477084 /nfs/dbraw/zinc/47/70/84/606477084.db2.gz NQMVPEIBDUJKRH-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639964 606477086 /nfs/dbraw/zinc/47/70/86/606477086.db2.gz NQMVPEIBDUJKRH-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823430178 606675806 /nfs/dbraw/zinc/67/58/06/606675806.db2.gz GJJIGFMVWUTKAS-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823430178 606675807 /nfs/dbraw/zinc/67/58/07/606675807.db2.gz GJJIGFMVWUTKAS-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820774282 607116143 /nfs/dbraw/zinc/11/61/43/607116143.db2.gz AFCGAVYXTUGSCQ-RNCFNFMXSA-N -1 3 373.398 2.198 20 5 FEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820774282 607116145 /nfs/dbraw/zinc/11/61/45/607116145.db2.gz AFCGAVYXTUGSCQ-RNCFNFMXSA-N -1 3 373.398 2.198 20 5 FEBDHM C[C@H](CO)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824436535 607967244 /nfs/dbraw/zinc/96/72/44/607967244.db2.gz UBOWESFFHAGNIY-JTQLQIEISA-N -1 3 357.374 2.144 20 5 FEBDHM C[C@H](CO)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824436535 607967245 /nfs/dbraw/zinc/96/72/45/607967245.db2.gz UBOWESFFHAGNIY-JTQLQIEISA-N -1 3 357.374 2.144 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826497745 608052834 /nfs/dbraw/zinc/05/28/34/608052834.db2.gz SRXUJVSMTYOVFR-HNNXBMFYSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826497745 608052835 /nfs/dbraw/zinc/05/28/35/608052835.db2.gz SRXUJVSMTYOVFR-HNNXBMFYSA-N -1 3 370.344 2.492 20 5 FEBDHM CC(C)OCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824309692 608159278 /nfs/dbraw/zinc/15/92/78/608159278.db2.gz VQDHOZJHLZVVHB-UHFFFAOYSA-N -1 3 354.754 2.182 20 5 FEBDHM CC(C)OCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824309692 608159280 /nfs/dbraw/zinc/15/92/80/608159280.db2.gz VQDHOZJHLZVVHB-UHFFFAOYSA-N -1 3 354.754 2.182 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826466757 608446772 /nfs/dbraw/zinc/44/67/72/608446772.db2.gz RXDNGPSIJCVLAQ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826466757 608446774 /nfs/dbraw/zinc/44/67/74/608446774.db2.gz RXDNGPSIJCVLAQ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826224323 608541012 /nfs/dbraw/zinc/54/10/12/608541012.db2.gz ZVHKPFPLESMCPY-UHFFFAOYSA-N -1 3 367.368 2.032 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826224323 608541014 /nfs/dbraw/zinc/54/10/14/608541014.db2.gz ZVHKPFPLESMCPY-UHFFFAOYSA-N -1 3 367.368 2.032 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@@](O)(c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826498718 609168796 /nfs/dbraw/zinc/16/87/96/609168796.db2.gz GXOWLKFOUQDXDQ-KRWDZBQOSA-N -1 3 370.344 2.012 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@@](O)(c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826498718 609168798 /nfs/dbraw/zinc/16/87/98/609168798.db2.gz GXOWLKFOUQDXDQ-KRWDZBQOSA-N -1 3 370.344 2.012 20 5 FEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000826466221 609340540 /nfs/dbraw/zinc/34/05/40/609340540.db2.gz TZMLHOAWOOUCLD-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000826466221 609340542 /nfs/dbraw/zinc/34/05/42/609340542.db2.gz TZMLHOAWOOUCLD-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM Cn1c(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000826356633 609387592 /nfs/dbraw/zinc/38/75/92/609387592.db2.gz ZKPUMLUSUCVBMS-UHFFFAOYSA-N -1 3 358.387 2.322 20 5 FEBDHM Cn1c(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000826356633 609387593 /nfs/dbraw/zinc/38/75/93/609387593.db2.gz ZKPUMLUSUCVBMS-UHFFFAOYSA-N -1 3 358.387 2.322 20 5 FEBDHM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1=O ZINC000078238164 670582579 /nfs/dbraw/zinc/58/25/79/670582579.db2.gz DXSPBIUICBFJNC-UHFFFAOYSA-N -1 3 355.347 2.025 20 5 FEBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577640227 671610618 /nfs/dbraw/zinc/61/06/18/671610618.db2.gz HBQBOWQCBQXVBZ-GXSJLCMTSA-N -1 3 350.824 2.324 20 5 FEBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000579959762 671773337 /nfs/dbraw/zinc/77/33/37/671773337.db2.gz DYIJGIDVSAJEAB-JOYOIKCWSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000159411152 672281579 /nfs/dbraw/zinc/28/15/79/672281579.db2.gz RZMBMZBMLLXLRZ-AWEZNQCLSA-N -1 3 354.359 2.054 20 5 FEBDHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000592076140 672749081 /nfs/dbraw/zinc/74/90/81/672749081.db2.gz VGYZERUVYRLMKS-CQSZACIVSA-N -1 3 372.443 2.035 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592100411 672756239 /nfs/dbraw/zinc/75/62/39/672756239.db2.gz QSZLDCLKQYFQHK-ZDUSSCGKSA-N -1 3 358.416 2.135 20 5 FEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(C)c1 ZINC000593558735 672942494 /nfs/dbraw/zinc/94/24/94/672942494.db2.gz JXWYKBOSIAUSPQ-AWEZNQCLSA-N -1 3 365.411 2.434 20 5 FEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000593578333 672949467 /nfs/dbraw/zinc/94/94/67/672949467.db2.gz HNLKUZWCRITOKV-UHFFFAOYSA-N -1 3 357.432 2.255 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1OCCc2sccc21 ZINC000593598941 672954854 /nfs/dbraw/zinc/95/48/54/672954854.db2.gz YOZIOANUGSGLIO-YMTOWFKASA-N -1 3 369.424 2.032 20 5 FEBDHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593607886 672957359 /nfs/dbraw/zinc/95/73/59/672957359.db2.gz JGLPCBVPQPEXSK-WFASDCNBSA-N -1 3 363.395 2.080 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000594827559 673153981 /nfs/dbraw/zinc/15/39/81/673153981.db2.gz PVMMMJUXDFPOQH-QMMMGPOBSA-N -1 3 368.333 2.053 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)nc1 ZINC000599374260 673665891 /nfs/dbraw/zinc/66/58/91/673665891.db2.gz CIMSGPNKSLHKNW-VHDGCEQUSA-N -1 3 365.798 2.260 20 5 FEBDHM O=C([O-])c1ccnc(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000567981738 675340774 /nfs/dbraw/zinc/34/07/74/675340774.db2.gz XAZYLIJMVVLDHZ-UHFFFAOYSA-N -1 3 366.443 2.462 20 5 FEBDHM CN(C)c1cc(F)c(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000828300955 675811537 /nfs/dbraw/zinc/81/15/37/675811537.db2.gz WOBUHTNWHYREHV-UHFFFAOYSA-N -1 3 350.354 2.399 20 5 FEBDHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc12 ZINC000763088087 680772066 /nfs/dbraw/zinc/77/20/66/680772066.db2.gz WIZIIZOQECXJFR-UHFFFAOYSA-N -1 3 365.346 2.125 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206605 680835373 /nfs/dbraw/zinc/83/53/73/680835373.db2.gz BYAXDBFBVAEXDS-CABZTGNLSA-N -1 3 359.835 2.009 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(CF)CCOCC2)c1 ZINC000831997405 680072761 /nfs/dbraw/zinc/07/27/61/680072761.db2.gz DXKBVXCCRAVWKN-UHFFFAOYSA-N -1 3 366.798 2.354 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581447 681582630 /nfs/dbraw/zinc/58/26/30/681582630.db2.gz NAXDEJPMRAVCTG-VIFPVBQESA-N -1 3 354.313 2.486 20 5 FEBDHM O=C([N-][C@@H]1CCCc2c[nH]nc21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584575 681583321 /nfs/dbraw/zinc/58/33/21/681583321.db2.gz CASWRADXMQAZQM-GFCCVEGCSA-N -1 3 352.297 2.483 20 5 FEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000853365983 682408799 /nfs/dbraw/zinc/40/87/99/682408799.db2.gz YCZFEZARNYCAIM-QWRGUYRKSA-N -1 3 352.391 2.435 20 5 FEBDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853471051 682419382 /nfs/dbraw/zinc/41/93/82/682419382.db2.gz BRMJFEXXICVFJO-GHMZBOCLSA-N -1 3 352.391 2.435 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(F)(F)F ZINC000790843018 682706566 /nfs/dbraw/zinc/70/65/66/682706566.db2.gz MHGYPZNYWISHQD-VIFPVBQESA-N -1 3 356.322 2.067 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000856749562 682804745 /nfs/dbraw/zinc/80/47/45/682804745.db2.gz IKXPNXKKDUCTEO-QMMMGPOBSA-N -1 3 369.226 2.466 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000795245497 683032176 /nfs/dbraw/zinc/03/21/76/683032176.db2.gz DSOGYDJVFVJDFT-UHFFFAOYSA-N -1 3 357.775 2.136 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CCC2SCCS2)c([N+](=O)[O-])s1 ZINC000867531855 684306569 /nfs/dbraw/zinc/30/65/69/684306569.db2.gz LLRPVXKTHWGPLZ-UHFFFAOYSA-N -1 3 354.500 2.439 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)c(F)c1 ZINC000867736297 684367079 /nfs/dbraw/zinc/36/70/79/684367079.db2.gz LHAJAMMHOXMAFY-NHYWBVRUSA-N -1 3 358.391 2.217 20 5 FEBDHM COc1cc(CC[N-]S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000015362603 539616258 /nfs/dbraw/zinc/61/62/58/539616258.db2.gz KPWBODFGAFVVOU-UHFFFAOYSA-N -1 3 372.424 2.195 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000023391223 539713108 /nfs/dbraw/zinc/71/31/08/539713108.db2.gz LHSKOEMPRMFXJD-UHFFFAOYSA-N -1 3 352.368 2.091 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000028041706 539824666 /nfs/dbraw/zinc/82/46/66/539824666.db2.gz JPKWWDOWOFHGBM-UHFFFAOYSA-N -1 3 351.384 2.175 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000055134590 540630998 /nfs/dbraw/zinc/63/09/98/540630998.db2.gz MZTJBBVIIKAVPX-UHFFFAOYSA-N -1 3 358.354 2.101 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000066327378 541302596 /nfs/dbraw/zinc/30/25/96/541302596.db2.gz LHFIPMJKHWBDLE-GFCCVEGCSA-N -1 3 373.431 2.377 20 5 FEBDHM CCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000068973802 541645659 /nfs/dbraw/zinc/64/56/59/541645659.db2.gz GUJPKVGOUYAYTI-UHFFFAOYSA-N -1 3 368.353 2.104 20 5 FEBDHM CCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000068973802 541645663 /nfs/dbraw/zinc/64/56/63/541645663.db2.gz GUJPKVGOUYAYTI-UHFFFAOYSA-N -1 3 368.353 2.104 20 5 FEBDHM CCn1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1=O ZINC000098052245 543019722 /nfs/dbraw/zinc/01/97/22/543019722.db2.gz PQXSXEAUJKRXBN-UHFFFAOYSA-N -1 3 351.384 2.194 20 5 FEBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000108404572 543289137 /nfs/dbraw/zinc/28/91/37/543289137.db2.gz DDMSFPQVQVLCEF-UHFFFAOYSA-N -1 3 359.404 2.328 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123169500 543746281 /nfs/dbraw/zinc/74/62/81/543746281.db2.gz VCPUFUWLELWJAD-QWRGUYRKSA-N -1 3 361.489 2.363 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000125414680 543880798 /nfs/dbraw/zinc/88/07/98/543880798.db2.gz LEGTVTXNCHJONP-LBPRGKRZSA-N -1 3 370.814 2.303 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(-c3nccn3C)cs2)c1[N+](=O)[O-] ZINC000125747869 543899538 /nfs/dbraw/zinc/89/95/38/543899538.db2.gz UWUVBLKYZIGUBY-UHFFFAOYSA-N -1 3 361.387 2.380 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000129719832 544124978 /nfs/dbraw/zinc/12/49/78/544124978.db2.gz CSIJFPDPPGNKTO-GFCCVEGCSA-N -1 3 373.394 2.215 20 5 FEBDHM Cn1cc(-c2cccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cn1 ZINC000134931110 544328203 /nfs/dbraw/zinc/32/82/03/544328203.db2.gz UOKXFWLJMDODPM-UHFFFAOYSA-N -1 3 372.406 2.474 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1nc(C)cs1 ZINC000186471044 327963653 /nfs/dbraw/zinc/96/36/53/327963653.db2.gz VFYWNIVQZQKWNL-VIFPVBQESA-N -1 3 371.440 2.450 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000186739885 327979629 /nfs/dbraw/zinc/97/96/29/327979629.db2.gz NCJHRECEWGZKHL-VIFPVBQESA-N -1 3 371.440 2.450 20 5 FEBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000188542213 328093851 /nfs/dbraw/zinc/09/38/51/328093851.db2.gz NECGUDPYGNGTJF-JGVFFNPUSA-N -1 3 367.221 2.059 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c1 ZINC000188897953 328116477 /nfs/dbraw/zinc/11/64/77/328116477.db2.gz BSYXWEFWPSYRQJ-MNOVXSKESA-N -1 3 362.835 2.386 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000189797937 328168732 /nfs/dbraw/zinc/16/87/32/328168732.db2.gz SZJWGBBGOCJSIP-ZDUSSCGKSA-N -1 3 367.427 2.386 20 5 FEBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119291643 326145606 /nfs/dbraw/zinc/14/56/06/326145606.db2.gz JNQDBQRQAZFXAR-VIFPVBQESA-N -1 3 356.322 2.053 20 5 FEBDHM COCCCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119686236 326187553 /nfs/dbraw/zinc/18/75/53/326187553.db2.gz SYKMGZYERZQWPV-UHFFFAOYSA-N -1 3 367.221 2.062 20 5 FEBDHM O=[N+]([O-])c1cccnc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128720778 326528645 /nfs/dbraw/zinc/52/86/45/326528645.db2.gz NLXDBLBZCWYMQM-UHFFFAOYSA-N -1 3 362.820 2.095 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1([C@@H](O)c2ccccc2)CC1 ZINC000159286602 326925795 /nfs/dbraw/zinc/92/57/95/326925795.db2.gz VVUYNZNFXWKVIM-INIZCTEOSA-N -1 3 362.407 2.387 20 5 FEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163435793 327051689 /nfs/dbraw/zinc/05/16/89/327051689.db2.gz QQDSMYCPAWCSER-VIFPVBQESA-N -1 3 370.349 2.301 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCc1cccn1C ZINC000173611024 327270746 /nfs/dbraw/zinc/27/07/46/327270746.db2.gz KETQXAVLEHWWKL-GFCCVEGCSA-N -1 3 367.427 2.242 20 5 FEBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000272010482 329744706 /nfs/dbraw/zinc/74/47/06/329744706.db2.gz FYHZHFKEMWDANG-UHFFFAOYSA-N -1 3 370.349 2.441 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000272412038 329778976 /nfs/dbraw/zinc/77/89/76/329778976.db2.gz CLSNSKNGYHYUGK-LLVKDONJSA-N -1 3 374.802 2.470 20 5 FEBDHM CCO[C@@H]1C[C@H](NCc2cc(OC)c([O-])cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273673114 329883288 /nfs/dbraw/zinc/88/32/88/329883288.db2.gz ZPOZIFMPRYNALA-GVDBMIGSSA-N -1 3 352.387 2.125 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000156025900 545593345 /nfs/dbraw/zinc/59/33/45/545593345.db2.gz XNDAIKZNNUFZOZ-UHFFFAOYSA-N -1 3 369.399 2.195 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000478149033 561160925 /nfs/dbraw/zinc/16/09/25/561160925.db2.gz LOKGCMKFWHUZMF-UHFFFAOYSA-N -1 3 369.374 2.133 20 5 FEBDHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc21 ZINC000479875993 561198681 /nfs/dbraw/zinc/19/86/81/561198681.db2.gz MZWLKFJIZXTBQR-UHFFFAOYSA-N -1 3 371.353 2.040 20 5 FEBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC000480866681 561218846 /nfs/dbraw/zinc/21/88/46/561218846.db2.gz BYXXCWAWNDQAML-HUUCEWRRSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000480883379 561219318 /nfs/dbraw/zinc/21/93/18/561219318.db2.gz UWLCDRCLHWOZGV-INIZCTEOSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c1C ZINC000480933299 561220517 /nfs/dbraw/zinc/22/05/17/561220517.db2.gz IXDFLEGAXUIRCW-UHFFFAOYSA-N -1 3 364.379 2.419 20 5 FEBDHM CCC[C@@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000480961254 561221335 /nfs/dbraw/zinc/22/13/35/561221335.db2.gz YWMKQCHGHVEXKK-OAHLLOKOSA-N -1 3 358.416 2.222 20 5 FEBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481056120 561223972 /nfs/dbraw/zinc/22/39/72/561223972.db2.gz IKVNJJWVTPXUKX-CQSZACIVSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([C@H](C)O)cc1 ZINC000178617048 546820795 /nfs/dbraw/zinc/82/07/95/546820795.db2.gz JYPPKLXFVAUDPY-LBPRGKRZSA-N -1 3 350.396 2.435 20 5 FEBDHM COC(=O)CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000482349650 561252991 /nfs/dbraw/zinc/25/29/91/561252991.db2.gz UHHDXZUFDUWASU-UHFFFAOYSA-N -1 3 372.312 2.430 20 5 FEBDHM CN(C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000181970374 547415314 /nfs/dbraw/zinc/41/53/14/547415314.db2.gz GUWJGXBFXFXTCI-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182130856 547442143 /nfs/dbraw/zinc/44/21/43/547442143.db2.gz TVLFZDQRLKNCDV-UHFFFAOYSA-N -1 3 359.382 2.210 20 5 FEBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000184762340 547875873 /nfs/dbraw/zinc/87/58/73/547875873.db2.gz RJIGPFCQBCAKNV-INIZCTEOSA-N -1 3 368.386 2.061 20 5 FEBDHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186754923 548185638 /nfs/dbraw/zinc/18/56/38/548185638.db2.gz ULBOPSVHMBEPIP-AWEZNQCLSA-N -1 3 360.370 2.245 20 5 FEBDHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186916838 548218072 /nfs/dbraw/zinc/21/80/72/548218072.db2.gz QZYYLPLACIGQKF-OAHLLOKOSA-N -1 3 356.382 2.090 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000193985223 548418326 /nfs/dbraw/zinc/41/83/26/548418326.db2.gz IPRUIKJFWZNJQC-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc([N+](=O)[O-])c1 ZINC000194449109 548483819 /nfs/dbraw/zinc/48/38/19/548483819.db2.gz SRCHXKQXPZVCHA-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248964928 549532408 /nfs/dbraw/zinc/53/24/08/549532408.db2.gz BOFLMXSIBVZFSL-NEPJUHHUSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)C1(CO)CCC1 ZINC000490080021 561426031 /nfs/dbraw/zinc/42/60/31/561426031.db2.gz MENQLWRDEVNGJA-HNNXBMFYSA-N -1 3 356.444 2.369 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000490090748 561426440 /nfs/dbraw/zinc/42/64/40/561426440.db2.gz OCVIRVJTGUHWJX-OAHLLOKOSA-N -1 3 356.444 2.369 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000490560973 561435082 /nfs/dbraw/zinc/43/50/82/561435082.db2.gz XAUVGCPJNWSNLB-UHFFFAOYSA-N -1 3 358.416 2.303 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268903530 550129538 /nfs/dbraw/zinc/12/95/38/550129538.db2.gz XIXSSMFLWDHXIF-UHFFFAOYSA-N -1 3 352.416 2.085 20 5 FEBDHM COc1ccccc1-c1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000493981996 561460423 /nfs/dbraw/zinc/46/04/23/561460423.db2.gz HWCYWAPYYBMMDH-UHFFFAOYSA-N -1 3 369.337 2.406 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000273548901 550502576 /nfs/dbraw/zinc/50/25/76/550502576.db2.gz MCGQLQJWHLDWMV-RYUDHWBXSA-N -1 3 358.416 2.087 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2=CCN(C)CC2)c1 ZINC000273917091 550515791 /nfs/dbraw/zinc/51/57/91/550515791.db2.gz JHTIKUIHSWQJMJ-UHFFFAOYSA-N -1 3 359.835 2.097 20 5 FEBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n[nH]1 ZINC000285270682 551729676 /nfs/dbraw/zinc/72/96/76/551729676.db2.gz DUSXLHZVBNPHJL-SSDOTTSWSA-N -1 3 359.795 2.023 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000498912222 561537600 /nfs/dbraw/zinc/53/76/00/561537600.db2.gz RWGBUEHDWMQHQU-ZDUSSCGKSA-N -1 3 362.363 2.209 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000285655513 551790330 /nfs/dbraw/zinc/79/03/30/551790330.db2.gz OSQRYJOPUKJYQO-UHFFFAOYSA-N -1 3 365.411 2.218 20 5 FEBDHM Cc1ccc([O-])c(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000294403207 552903531 /nfs/dbraw/zinc/90/35/31/552903531.db2.gz DTBYIDCVKIZEGO-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1=O ZINC000298054753 553377909 /nfs/dbraw/zinc/37/79/09/553377909.db2.gz BWTDVALECYWJTK-KRWDZBQOSA-N -1 3 362.386 2.258 20 5 FEBDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000299714007 553605677 /nfs/dbraw/zinc/60/56/77/553605677.db2.gz RNYMHOBUSMIURM-UHFFFAOYSA-N -1 3 374.390 2.134 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000326883938 553783994 /nfs/dbraw/zinc/78/39/94/553783994.db2.gz BFEPWDHBVCBJPH-JTNHKYCSSA-N -1 3 370.427 2.484 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000330977869 554196193 /nfs/dbraw/zinc/19/61/93/554196193.db2.gz ICGGLLZMLCFIGP-CYBMUJFWSA-N -1 3 358.416 2.087 20 5 FEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000510025885 561822447 /nfs/dbraw/zinc/82/24/47/561822447.db2.gz MHCMMRLFZJXTAF-UHFFFAOYSA-N -1 3 370.365 2.290 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1nccn1C)C1CC1 ZINC000510449837 561835053 /nfs/dbraw/zinc/83/50/53/561835053.db2.gz PAVWHBIDUQFJMI-ZDUSSCGKSA-N -1 3 350.400 2.066 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000510508746 561837004 /nfs/dbraw/zinc/83/70/04/561837004.db2.gz RPBVSKADXMYERC-UHFFFAOYSA-N -1 3 372.296 2.363 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000364126285 555255036 /nfs/dbraw/zinc/25/50/36/555255036.db2.gz LRIMNTCPOPIHMW-JKSUJKDBSA-N -1 3 370.427 2.087 20 5 FEBDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1[N+](=O)[O-] ZINC000513250534 561931285 /nfs/dbraw/zinc/93/12/85/561931285.db2.gz JVWLVRAOCORBLY-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366020757 555729373 /nfs/dbraw/zinc/72/93/73/555729373.db2.gz DURNNDVVNIYHSA-CJNGLKHVSA-N -1 3 363.414 2.443 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2cc(F)ccc2C1 ZINC000514951593 561988551 /nfs/dbraw/zinc/98/85/51/561988551.db2.gz SNUMDBLSMJXJGE-ZDUSSCGKSA-N -1 3 366.370 2.324 20 5 FEBDHM Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368536260 556338739 /nfs/dbraw/zinc/33/87/39/556338739.db2.gz DWIHNZCPWPKKBS-UHFFFAOYSA-N -1 3 370.409 2.398 20 5 FEBDHM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000517731498 562096430 /nfs/dbraw/zinc/09/64/30/562096430.db2.gz CVEDHYGEUZLHHX-UHFFFAOYSA-N -1 3 369.424 2.483 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373325985 557672531 /nfs/dbraw/zinc/67/25/31/557672531.db2.gz AYFJEKQUYWDTGH-UHFFFAOYSA-N -1 3 363.349 2.183 20 5 FEBDHM Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375027073 557966565 /nfs/dbraw/zinc/96/65/65/557966565.db2.gz JDMDECWNPWURME-UHFFFAOYSA-N -1 3 370.409 2.352 20 5 FEBDHM CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000375090135 557976164 /nfs/dbraw/zinc/97/61/64/557976164.db2.gz KVXDGRNYILTMSG-GFCCVEGCSA-N -1 3 359.386 2.240 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000377513120 558354869 /nfs/dbraw/zinc/35/48/69/558354869.db2.gz RTMJICJQSDFJMN-UHFFFAOYSA-N -1 3 368.309 2.849 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC(C)(C)C1 ZINC000392420617 558617240 /nfs/dbraw/zinc/61/72/40/558617240.db2.gz QOCXNMQMMDUNHM-JTQLQIEISA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)C1 ZINC000392365426 558617398 /nfs/dbraw/zinc/61/73/98/558617398.db2.gz MWMSVEPRKKFHAG-QWRGUYRKSA-N -1 3 356.400 2.096 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)C(C)C ZINC000397163363 558623798 /nfs/dbraw/zinc/62/37/98/558623798.db2.gz XUHCXSFFEKAPIM-ZFWWWQNUSA-N -1 3 356.400 2.094 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000525659311 562251557 /nfs/dbraw/zinc/25/15/57/562251557.db2.gz QCCJQJAAFAYAJY-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1cc(C(=O)[N-]c2sccc2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000525663284 562251656 /nfs/dbraw/zinc/25/16/56/562251656.db2.gz HVJRUAGDCWORIQ-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc([N+](=O)[O-])cc3)cn21 ZINC000416371036 559308108 /nfs/dbraw/zinc/30/81/08/559308108.db2.gz MDVAEDNBDRLJSX-LLVKDONJSA-N -1 3 350.400 2.167 20 5 FEBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC000416380038 559308691 /nfs/dbraw/zinc/30/86/91/559308691.db2.gz AGFLFNPUAJMRPZ-UHFFFAOYSA-N -1 3 354.388 2.117 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416450188 559313756 /nfs/dbraw/zinc/31/37/56/559313756.db2.gz LNQOGZMKSFZQJX-WCBMZHEXSA-N -1 3 368.333 2.459 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000416468274 559315422 /nfs/dbraw/zinc/31/54/22/559315422.db2.gz FFZYAQFVFFYKIW-SCZZXKLOSA-N -1 3 368.333 2.053 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)O ZINC000416489127 559317036 /nfs/dbraw/zinc/31/70/36/559317036.db2.gz OZURALVRPNWSQL-NSHDSACASA-N -1 3 370.349 2.441 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC1 ZINC000416492273 559317269 /nfs/dbraw/zinc/31/72/69/559317269.db2.gz CKHBAHSFLJSMKU-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000416502342 559318130 /nfs/dbraw/zinc/31/81/30/559318130.db2.gz PNYQNCLRHCCSMW-UHFFFAOYSA-N -1 3 368.333 2.456 20 5 FEBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416579083 559322988 /nfs/dbraw/zinc/32/29/88/559322988.db2.gz MTBHWLVUDSLLBQ-ZBFHGGJFSA-N -1 3 366.370 2.325 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000427275775 559751910 /nfs/dbraw/zinc/75/19/10/559751910.db2.gz URHYAWXYXUILMM-PSVOKBTDSA-N -1 3 374.484 2.261 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000443143655 560072436 /nfs/dbraw/zinc/07/24/36/560072436.db2.gz SSFMAKGVRXAKOI-UHFFFAOYSA-N -1 3 354.388 2.062 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)no1 ZINC000443153821 560072798 /nfs/dbraw/zinc/07/27/98/560072798.db2.gz DJUMJWDTCHRQDC-UHFFFAOYSA-N -1 3 368.415 2.371 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000443973784 560098050 /nfs/dbraw/zinc/09/80/50/560098050.db2.gz QCUKMCBMCRTRFW-UHFFFAOYSA-N -1 3 372.381 2.469 20 5 FEBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc(F)cc3F)nc2c1 ZINC000443976359 560098090 /nfs/dbraw/zinc/09/80/90/560098090.db2.gz DUMCXJMSMRGHIS-UHFFFAOYSA-N -1 3 368.321 2.228 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCN(C2CC2)CC1 ZINC000445074955 560128208 /nfs/dbraw/zinc/12/82/08/560128208.db2.gz WZYNBUIRBSCXIW-UHFFFAOYSA-N -1 3 373.862 2.401 20 5 FEBDHM Cc1cccc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1F ZINC000449145069 560218012 /nfs/dbraw/zinc/21/80/12/560218012.db2.gz VSEDBGNQQCMUEN-UHFFFAOYSA-N -1 3 367.402 2.110 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000451704313 560323274 /nfs/dbraw/zinc/32/32/74/560323274.db2.gz CKQDWLXNSNQULR-MWLCHTKSSA-N -1 3 372.777 2.240 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)c1C ZINC000451853946 560332578 /nfs/dbraw/zinc/33/25/78/560332578.db2.gz MKHVSNIIUIFQOV-ZBFHGGJFSA-N -1 3 368.455 2.287 20 5 FEBDHM O=c1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(C2CC2)[n-]1 ZINC000459305300 560678712 /nfs/dbraw/zinc/67/87/12/560678712.db2.gz HSVNPATWTSNRFN-UHFFFAOYSA-N -1 3 355.398 2.290 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466514557 560888659 /nfs/dbraw/zinc/88/86/59/560888659.db2.gz LDWKHQUJDZJGAZ-CQSZACIVSA-N -1 3 366.370 2.330 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000467256475 560907291 /nfs/dbraw/zinc/90/72/91/560907291.db2.gz UCYSXCWJIACSPQ-SNVBAGLBSA-N -1 3 370.408 2.083 20 5 FEBDHM COc1cc(C(=O)[N-]c2ccc(C(N)=O)cc2F)c([N+](=O)[O-])cc1OC ZINC000467498877 560911312 /nfs/dbraw/zinc/91/13/12/560911312.db2.gz NCAUXYVIXOXZSJ-UHFFFAOYSA-N -1 3 363.301 2.102 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000469192586 560949525 /nfs/dbraw/zinc/94/95/25/560949525.db2.gz NHBYPVKYHVVQHL-LLVKDONJSA-N -1 3 358.416 2.484 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccsc2)cc1C ZINC000472701155 561033361 /nfs/dbraw/zinc/03/33/61/561033361.db2.gz CKROTJXBAVSVSH-GFCCVEGCSA-N -1 3 356.425 2.285 20 5 FEBDHM CC(C)(CF)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472940763 561038332 /nfs/dbraw/zinc/03/83/32/561038332.db2.gz NLPVNNBWYCFGFL-UHFFFAOYSA-N -1 3 355.185 2.384 20 5 FEBDHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000534086129 562525053 /nfs/dbraw/zinc/52/50/53/562525053.db2.gz UDAGFKLUYZZEBK-SECBINFHSA-N -1 3 364.807 2.116 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000542043299 562626067 /nfs/dbraw/zinc/62/60/67/562626067.db2.gz CMKLTSVTHKCJGX-UHFFFAOYSA-N -1 3 373.365 2.319 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000546104549 562633796 /nfs/dbraw/zinc/63/37/96/562633796.db2.gz LQOHOQOAWLCZNI-UHFFFAOYSA-N -1 3 353.132 2.292 20 5 FEBDHM CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568627385 568100594 /nfs/dbraw/zinc/10/05/94/568100594.db2.gz ZHWGGEMXWJIOOD-VAHXTSCQSA-N -1 3 369.805 2.425 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](CCO)c1ccccc1 ZINC000738357546 598973804 /nfs/dbraw/zinc/97/38/04/598973804.db2.gz FGVVKBLOCDSCFU-CQSZACIVSA-N -1 3 354.370 2.353 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](CCO)c1ccccc1 ZINC000738357546 598973806 /nfs/dbraw/zinc/97/38/06/598973806.db2.gz FGVVKBLOCDSCFU-CQSZACIVSA-N -1 3 354.370 2.353 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccccc1[N+](=O)[O-] ZINC000737801044 599231884 /nfs/dbraw/zinc/23/18/84/599231884.db2.gz LMBPJSLHXIOENB-KTKRTIGZSA-N -1 3 364.365 2.147 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccccc1[N+](=O)[O-] ZINC000737801044 599231886 /nfs/dbraw/zinc/23/18/86/599231886.db2.gz LMBPJSLHXIOENB-KTKRTIGZSA-N -1 3 364.365 2.147 20 5 FEBDHM COCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821690341 607304629 /nfs/dbraw/zinc/30/46/29/607304629.db2.gz GXDIZQQQQGTMRK-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM COCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821690341 607304630 /nfs/dbraw/zinc/30/46/30/607304630.db2.gz GXDIZQQQQGTMRK-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000820183740 607347524 /nfs/dbraw/zinc/34/75/24/607347524.db2.gz JYRNONBCZFMYTL-VIFPVBQESA-N -1 3 370.373 2.112 20 5 FEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738166713 598592460 /nfs/dbraw/zinc/59/24/60/598592460.db2.gz MBAUYKVPVRZNLR-UHFFFAOYSA-N -1 3 373.260 2.075 20 5 FEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738166713 598592462 /nfs/dbraw/zinc/59/24/62/598592462.db2.gz MBAUYKVPVRZNLR-UHFFFAOYSA-N -1 3 373.260 2.075 20 5 FEBDHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735597837 599304624 /nfs/dbraw/zinc/30/46/24/599304624.db2.gz SPGKJMXUVPNPBH-GWCFXTLKSA-N -1 3 361.406 2.423 20 5 FEBDHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735597837 599304626 /nfs/dbraw/zinc/30/46/26/599304626.db2.gz SPGKJMXUVPNPBH-GWCFXTLKSA-N -1 3 361.406 2.423 20 5 FEBDHM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736893630 599322573 /nfs/dbraw/zinc/32/25/73/599322573.db2.gz RXTSQNRJGZYGPM-CYBMUJFWSA-N -1 3 368.353 2.144 20 5 FEBDHM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736893630 599322575 /nfs/dbraw/zinc/32/25/75/599322575.db2.gz RXTSQNRJGZYGPM-CYBMUJFWSA-N -1 3 368.353 2.144 20 5 FEBDHM C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820457167 599353895 /nfs/dbraw/zinc/35/38/95/599353895.db2.gz YHTQJKAZPWQSNU-SECBINFHSA-N -1 3 353.342 2.047 20 5 FEBDHM C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820457167 599353899 /nfs/dbraw/zinc/35/38/99/599353899.db2.gz YHTQJKAZPWQSNU-SECBINFHSA-N -1 3 353.342 2.047 20 5 FEBDHM COc1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c([N+](=O)[O-])c1 ZINC000821846631 607378184 /nfs/dbraw/zinc/37/81/84/607378184.db2.gz WNSUXVKVBHIFFR-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c([N+](=O)[O-])c1 ZINC000821846631 607378186 /nfs/dbraw/zinc/37/81/86/607378186.db2.gz WNSUXVKVBHIFFR-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM Cc1c(CC(=O)OCc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236167 607390808 /nfs/dbraw/zinc/39/08/08/607390808.db2.gz AEEUZAVSRRONOH-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1c(CC(=O)OCc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236167 607390810 /nfs/dbraw/zinc/39/08/10/607390810.db2.gz AEEUZAVSRRONOH-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000826428123 607421908 /nfs/dbraw/zinc/42/19/08/607421908.db2.gz PMEDRUQZWVJRNP-UHFFFAOYSA-N -1 3 350.338 2.194 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000826428123 607421909 /nfs/dbraw/zinc/42/19/09/607421909.db2.gz PMEDRUQZWVJRNP-UHFFFAOYSA-N -1 3 350.338 2.194 20 5 FEBDHM O=C(CC[C@@H]1CCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405558 607525500 /nfs/dbraw/zinc/52/55/00/607525500.db2.gz KHRHQEOVXJUVBT-VIFPVBQESA-N -1 3 366.765 2.326 20 5 FEBDHM O=C(CC[C@@H]1CCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405558 607525502 /nfs/dbraw/zinc/52/55/02/607525502.db2.gz KHRHQEOVXJUVBT-VIFPVBQESA-N -1 3 366.765 2.326 20 5 FEBDHM O=C([O-])/C=C/c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000833196187 604627433 /nfs/dbraw/zinc/62/74/33/604627433.db2.gz NWMZOJXOYRLLSG-TXTHVTMNSA-N -1 3 361.398 2.358 20 5 FEBDHM Cn1cc(CN2CC[C@@H](CNC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833948578 605570617 /nfs/dbraw/zinc/57/06/17/605570617.db2.gz HZRVVENNNFTDKV-LBPRGKRZSA-N -1 3 359.386 2.085 20 5 FEBDHM COC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821682355 606140630 /nfs/dbraw/zinc/14/06/30/606140630.db2.gz CIBITYIFLVNYGS-CYBMUJFWSA-N -1 3 354.370 2.445 20 5 FEBDHM COC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821682355 606140631 /nfs/dbraw/zinc/14/06/31/606140631.db2.gz CIBITYIFLVNYGS-CYBMUJFWSA-N -1 3 354.370 2.445 20 5 FEBDHM O=C1[C@H](Nc2cccc([N+](=O)[O-])c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823514440 606242568 /nfs/dbraw/zinc/24/25/68/606242568.db2.gz ZMMMVUDPOAAHJP-GFCCVEGCSA-N -1 3 371.382 2.054 20 5 FEBDHM O=C1[C@H](Nc2cccc([N+](=O)[O-])c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823514440 606242569 /nfs/dbraw/zinc/24/25/69/606242569.db2.gz ZMMMVUDPOAAHJP-GFCCVEGCSA-N -1 3 371.382 2.054 20 5 FEBDHM C[S@@](=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821942811 606431097 /nfs/dbraw/zinc/43/10/97/606431097.db2.gz RLYHCCQKGXSIKO-RUZDIDTESA-N -1 3 358.383 2.124 20 5 FEBDHM C[S@@](=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821942811 606431099 /nfs/dbraw/zinc/43/10/99/606431099.db2.gz RLYHCCQKGXSIKO-RUZDIDTESA-N -1 3 358.383 2.124 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639963 606476697 /nfs/dbraw/zinc/47/66/97/606476697.db2.gz NQMVPEIBDUJKRH-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639963 606476699 /nfs/dbraw/zinc/47/66/99/606476699.db2.gz NQMVPEIBDUJKRH-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821608712 606668156 /nfs/dbraw/zinc/66/81/56/606668156.db2.gz RHOLVLSPYJNJTG-UHFFFAOYSA-N -1 3 366.381 2.366 20 5 FEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821608712 606668157 /nfs/dbraw/zinc/66/81/57/606668157.db2.gz RHOLVLSPYJNJTG-UHFFFAOYSA-N -1 3 366.381 2.366 20 5 FEBDHM CCc1nnc(NCc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821542519 606922785 /nfs/dbraw/zinc/92/27/85/606922785.db2.gz URACEMLQRISPKM-UHFFFAOYSA-N -1 3 354.374 2.302 20 5 FEBDHM CCc1nnc(NCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821542519 606922786 /nfs/dbraw/zinc/92/27/86/606922786.db2.gz URACEMLQRISPKM-UHFFFAOYSA-N -1 3 354.374 2.302 20 5 FEBDHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820231142 606945826 /nfs/dbraw/zinc/94/58/26/606945826.db2.gz BEDUISSPSJXINS-HZMBPMFUSA-N -1 3 355.358 2.094 20 5 FEBDHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820231142 606945827 /nfs/dbraw/zinc/94/58/27/606945827.db2.gz BEDUISSPSJXINS-HZMBPMFUSA-N -1 3 355.358 2.094 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821846312 606990342 /nfs/dbraw/zinc/99/03/42/606990342.db2.gz QIALLBRPTMJXPS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821846312 606990343 /nfs/dbraw/zinc/99/03/43/606990343.db2.gz QIALLBRPTMJXPS-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822496708 607048102 /nfs/dbraw/zinc/04/81/02/607048102.db2.gz SXBSPJNWORVEHY-AWEZNQCLSA-N -1 3 354.374 2.158 20 5 FEBDHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822496708 607048104 /nfs/dbraw/zinc/04/81/04/607048104.db2.gz SXBSPJNWORVEHY-AWEZNQCLSA-N -1 3 354.374 2.158 20 5 FEBDHM O=[N+]([O-])c1cc(COc2ccc(-c3nnn[n-]3)cc2F)c2c(c1)COCO2 ZINC000823634431 607138722 /nfs/dbraw/zinc/13/87/22/607138722.db2.gz FDOAAEUHUQQMAM-UHFFFAOYSA-N -1 3 373.300 2.360 20 5 FEBDHM O=[N+]([O-])c1cc(COc2ccc(-c3nn[n-]n3)cc2F)c2c(c1)COCO2 ZINC000823634431 607138723 /nfs/dbraw/zinc/13/87/23/607138723.db2.gz FDOAAEUHUQQMAM-UHFFFAOYSA-N -1 3 373.300 2.360 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823055806 607242899 /nfs/dbraw/zinc/24/28/99/607242899.db2.gz WOYFNFRGZJRGER-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823055806 607242900 /nfs/dbraw/zinc/24/29/00/607242900.db2.gz WOYFNFRGZJRGER-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM Cc1cc(F)cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1[N+](=O)[O-] ZINC000826268383 607947845 /nfs/dbraw/zinc/94/78/45/607947845.db2.gz VDGWZLZSICWFDM-UHFFFAOYSA-N -1 3 368.328 2.425 20 5 FEBDHM Cc1cc(F)cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC000826268383 607947846 /nfs/dbraw/zinc/94/78/46/607947846.db2.gz VDGWZLZSICWFDM-UHFFFAOYSA-N -1 3 368.328 2.425 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473741 607955375 /nfs/dbraw/zinc/95/53/75/607955375.db2.gz LWDGDIIXKZPZMK-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473741 607955376 /nfs/dbraw/zinc/95/53/76/607955376.db2.gz LWDGDIIXKZPZMK-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM CCC[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000825261290 607969649 /nfs/dbraw/zinc/96/96/49/607969649.db2.gz VZBUYTPGNARETA-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM CCC[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000825261290 607969650 /nfs/dbraw/zinc/96/96/50/607969650.db2.gz VZBUYTPGNARETA-GFCCVEGCSA-N -1 3 369.385 2.328 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824009907 607981619 /nfs/dbraw/zinc/98/16/19/607981619.db2.gz FFCAGOBZAPEYKI-HNNXBMFYSA-N -1 3 369.337 2.090 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824009907 607981620 /nfs/dbraw/zinc/98/16/20/607981620.db2.gz FFCAGOBZAPEYKI-HNNXBMFYSA-N -1 3 369.337 2.090 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826498826 608052786 /nfs/dbraw/zinc/05/27/86/608052786.db2.gz LFSLSHQGPYKOSC-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826498826 608052787 /nfs/dbraw/zinc/05/27/87/608052787.db2.gz LFSLSHQGPYKOSC-MRXNPFEDSA-N -1 3 352.354 2.353 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CCCS1 ZINC000826451110 608162216 /nfs/dbraw/zinc/16/22/16/608162216.db2.gz QPINHTYGBADPBM-SECBINFHSA-N -1 3 354.779 2.262 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CCCS1 ZINC000826451110 608162218 /nfs/dbraw/zinc/16/22/18/608162218.db2.gz QPINHTYGBADPBM-SECBINFHSA-N -1 3 354.779 2.262 20 5 FEBDHM COCCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000826155135 608162675 /nfs/dbraw/zinc/16/26/75/608162675.db2.gz HNRMSZIWUOYUFE-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM COCCC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000826155135 608162676 /nfs/dbraw/zinc/16/26/76/608162676.db2.gz HNRMSZIWUOYUFE-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000826172701 608344601 /nfs/dbraw/zinc/34/46/01/608344601.db2.gz SYLDASRSKSROQK-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000826172701 608344602 /nfs/dbraw/zinc/34/46/02/608344602.db2.gz SYLDASRSKSROQK-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826272582 609163718 /nfs/dbraw/zinc/16/37/18/609163718.db2.gz QYKVBUHFUXCHTQ-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826272582 609163720 /nfs/dbraw/zinc/16/37/20/609163720.db2.gz QYKVBUHFUXCHTQ-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM COc1cc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826179775 609418160 /nfs/dbraw/zinc/41/81/60/609418160.db2.gz DFHZUAXSOCTMLI-UHFFFAOYSA-N -1 3 373.398 2.483 20 5 FEBDHM COc1cc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826179775 609418161 /nfs/dbraw/zinc/41/81/61/609418161.db2.gz DFHZUAXSOCTMLI-UHFFFAOYSA-N -1 3 373.398 2.483 20 5 FEBDHM O=[N+]([O-])c1ccc2ncnc(N3CCc4ccc(-c5nnn[n-]5)cc43)c2c1 ZINC000826499404 609441158 /nfs/dbraw/zinc/44/11/58/609441158.db2.gz HPAIPIVNSULBAR-UHFFFAOYSA-N -1 3 360.337 2.412 20 5 FEBDHM O=[N+]([O-])c1ccc2ncnc(N3CCc4ccc(-c5nn[n-]n5)cc43)c2c1 ZINC000826499404 609441160 /nfs/dbraw/zinc/44/11/60/609441160.db2.gz HPAIPIVNSULBAR-UHFFFAOYSA-N -1 3 360.337 2.412 20 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ZINC000156550874 672247547 /nfs/dbraw/zinc/24/75/47/672247547.db2.gz QWAZFKSZENAVDI-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176679608 672376076 /nfs/dbraw/zinc/37/60/76/672376076.db2.gz LVPXAYOHAAFQNK-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000588145353 672453568 /nfs/dbraw/zinc/45/35/68/672453568.db2.gz GXGDXVCBOABMGS-UHFFFAOYSA-N -1 3 354.306 2.223 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CN2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000590590239 672593390 /nfs/dbraw/zinc/59/33/90/672593390.db2.gz AWHUSSIKLXJETJ-LBPRGKRZSA-N -1 3 359.423 2.195 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591755 672594624 /nfs/dbraw/zinc/59/46/24/672594624.db2.gz UJPHFNDXXDTPBZ-SNVBAGLBSA-N -1 3 356.379 2.124 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)nc1 ZINC000593537308 672937063 /nfs/dbraw/zinc/93/70/63/672937063.db2.gz BMVCWJJSYDPJJJ-UHFFFAOYSA-N -1 3 365.411 2.265 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)nc1 ZINC000593556814 672942127 /nfs/dbraw/zinc/94/21/27/672942127.db2.gz KNUKPZNSCTZNOJ-UHFFFAOYSA-N -1 3 351.359 2.139 20 5 FEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000593562393 672944354 /nfs/dbraw/zinc/94/43/54/672944354.db2.gz UYBPTGOFDCTFHP-UONOGXRCSA-N -1 3 369.443 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)nc1 ZINC000593581762 672950319 /nfs/dbraw/zinc/95/03/19/672950319.db2.gz LVEGDGXHJZBFHB-CYBMUJFWSA-N -1 3 355.416 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)nc1 ZINC000593590279 672952546 /nfs/dbraw/zinc/95/25/46/672952546.db2.gz GGZCXBOANQEGMQ-XYPYZODXSA-N -1 3 351.359 2.353 20 5 FEBDHM O=C(COC(=O)c1cncc([O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000731915340 673347810 /nfs/dbraw/zinc/34/78/10/673347810.db2.gz HITKVRHZLXPMTB-UHFFFAOYSA-N -1 3 351.702 2.144 20 5 FEBDHM CCOC(=O)c1[n-]cnc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000537751777 673405508 /nfs/dbraw/zinc/40/55/08/673405508.db2.gz KCKMLLZSIRJICX-UHFFFAOYSA-N -1 3 350.356 2.225 20 5 FEBDHM CCOC(=O)c1nc[n-]c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000537751777 673405510 /nfs/dbraw/zinc/40/55/10/673405510.db2.gz KCKMLLZSIRJICX-UHFFFAOYSA-N -1 3 350.356 2.225 20 5 FEBDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000540484291 673542148 /nfs/dbraw/zinc/54/21/48/673542148.db2.gz DDUZCTYFTFMWCJ-LLVKDONJSA-N -1 3 360.407 2.201 20 5 FEBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000598734014 673604234 /nfs/dbraw/zinc/60/42/34/673604234.db2.gz DKDGHOZRMPYIOG-GFCCVEGCSA-N -1 3 350.400 2.350 20 5 FEBDHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000546277195 673799404 /nfs/dbraw/zinc/79/94/04/673799404.db2.gz IPLCBEXHAIXFHY-UHFFFAOYSA-N -1 3 354.388 2.173 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546799430 673819498 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ZINC000921864222 683599111 /nfs/dbraw/zinc/59/91/11/683599111.db2.gz RFVPBJXVCKINBS-JOYOIKCWSA-N -1 3 368.333 2.149 20 5 FEBDHM COc1c([O-])ccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000895080476 689655734 /nfs/dbraw/zinc/65/57/34/689655734.db2.gz XFSBYVHSCOZLKH-HZMBPMFUSA-N -1 3 364.320 2.444 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(-n2cccn2)cc1 ZINC000014209986 539599262 /nfs/dbraw/zinc/59/92/62/539599262.db2.gz GCVLSRLFEQRFDB-UHFFFAOYSA-N -1 3 372.406 2.302 20 5 FEBDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056124753 540704844 /nfs/dbraw/zinc/70/48/44/540704844.db2.gz WFLGWWWJZQWZPM-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COc1ccc2c(c1)[n-]cc(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000065123914 541227106 /nfs/dbraw/zinc/22/71/06/541227106.db2.gz VBUQUDAFRSACPJ-UHFFFAOYSA-N -1 3 367.361 2.417 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1-n1cccn1 ZINC000065795951 541262699 /nfs/dbraw/zinc/26/26/99/541262699.db2.gz 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000447841571 560170736 /nfs/dbraw/zinc/17/07/36/560170736.db2.gz DNPZZEUGQJUPBB-UHFFFAOYSA-N -1 3 373.337 2.378 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000451798490 560329034 /nfs/dbraw/zinc/32/90/34/560329034.db2.gz CGRUWYGCXLIAQP-LBPRGKRZSA-N -1 3 370.427 2.231 20 5 FEBDHM CC(C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC1 ZINC000451865538 560333365 /nfs/dbraw/zinc/33/33/65/560333365.db2.gz KAOZJOVMXUYAPS-UHFFFAOYSA-N -1 3 356.400 2.223 20 5 FEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2ccc(F)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000456192953 560510490 /nfs/dbraw/zinc/51/04/90/560510490.db2.gz OKGBABPFNCZEPZ-UHFFFAOYSA-N -1 3 370.362 2.236 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466514556 560888662 /nfs/dbraw/zinc/88/86/62/560888662.db2.gz LDWKHQUJDZJGAZ-AWEZNQCLSA-N -1 3 366.370 2.330 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000466724397 560893736 /nfs/dbraw/zinc/89/37/36/560893736.db2.gz HFEWMTOMBZXJOF-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM CCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1 ZINC000468874636 560941156 /nfs/dbraw/zinc/94/11/56/560941156.db2.gz GDSWSWHNEAAAPX-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c(Cl)c1 ZINC000472692067 561033125 /nfs/dbraw/zinc/03/31/25/561033125.db2.gz KXPQSRAMUKGDJN-LLVKDONJSA-N -1 3 362.816 2.322 20 5 FEBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476178486 561112480 /nfs/dbraw/zinc/11/24/80/561112480.db2.gz VLWXKILYSCCMFU-UHFFFAOYSA-N -1 3 357.244 2.120 20 5 FEBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000477168060 561138312 /nfs/dbraw/zinc/13/83/12/561138312.db2.gz STIHLDZNIMFRAQ-NWDGAFQWSA-N -1 3 370.427 2.471 20 5 FEBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000477175681 561138513 /nfs/dbraw/zinc/13/85/13/561138513.db2.gz KIJBEEZQRWVAQO-UHFFFAOYSA-N -1 3 364.379 2.153 20 5 FEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000533631877 562514758 /nfs/dbraw/zinc/51/47/58/562514758.db2.gz FTJLMZMOHAENCS-UHFFFAOYSA-N -1 3 357.775 2.001 20 5 FEBDHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000534819761 562543171 /nfs/dbraw/zinc/54/31/71/562543171.db2.gz XFEWVKBOOMZPIC-JTQLQIEISA-N -1 3 358.416 2.079 20 5 FEBDHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000537183051 562587228 /nfs/dbraw/zinc/58/72/28/562587228.db2.gz MVUIEUXJWZMPRH-CYBMUJFWSA-N -1 3 362.835 2.324 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000540738001 562592299 /nfs/dbraw/zinc/59/22/99/562592299.db2.gz TXFCDSJPUNEPLL-JSGCOSHPSA-N -1 3 372.443 2.475 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738371627 598975990 /nfs/dbraw/zinc/97/59/90/598975990.db2.gz USZVPXTUMZZDRH-ZDUSSCGKSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738371627 598975992 /nfs/dbraw/zinc/97/59/92/598975992.db2.gz USZVPXTUMZZDRH-ZDUSSCGKSA-N -1 3 362.296 2.199 20 5 FEBDHM Cc1cccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822328288 599057235 /nfs/dbraw/zinc/05/72/35/599057235.db2.gz OGLJUZJXAUOTGO-NSHDSACASA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1cccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822328288 599057238 /nfs/dbraw/zinc/05/72/38/599057238.db2.gz OGLJUZJXAUOTGO-NSHDSACASA-N -1 3 355.358 2.358 20 5 FEBDHM CCOc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821416908 599144539 /nfs/dbraw/zinc/14/45/39/599144539.db2.gz FNYPYRASHCDNSY-UHFFFAOYSA-N -1 3 355.358 2.205 20 5 FEBDHM CCOc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821416908 599144541 /nfs/dbraw/zinc/14/45/41/599144541.db2.gz FNYPYRASHCDNSY-UHFFFAOYSA-N -1 3 355.358 2.205 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCCCNc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000738370020 598375001 /nfs/dbraw/zinc/37/50/01/598375001.db2.gz MOEXCCVSZYQOAG-UHFFFAOYSA-N -1 3 354.374 2.474 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCCCNc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000738370020 598375003 /nfs/dbraw/zinc/37/50/03/598375003.db2.gz MOEXCCVSZYQOAG-UHFFFAOYSA-N -1 3 354.374 2.474 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738368995 598458360 /nfs/dbraw/zinc/45/83/60/598458360.db2.gz HRTNLAXAKSTBJA-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738368995 598458362 /nfs/dbraw/zinc/45/83/62/598458362.db2.gz HRTNLAXAKSTBJA-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(COc2ccc(-c3nnn[n-]3)c(F)c2)c2c(c1)COCO2 ZINC000738358235 598548859 /nfs/dbraw/zinc/54/88/59/598548859.db2.gz CGANICCHKZNINO-UHFFFAOYSA-N -1 3 373.300 2.360 20 5 FEBDHM O=[N+]([O-])c1cc(COc2ccc(-c3nn[n-]n3)c(F)c2)c2c(c1)COCO2 ZINC000738358235 598548860 /nfs/dbraw/zinc/54/88/60/598548860.db2.gz CGANICCHKZNINO-UHFFFAOYSA-N -1 3 373.300 2.360 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738236369 598584226 /nfs/dbraw/zinc/58/42/26/598584226.db2.gz WPDYOGVYMYDYNL-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738236369 598584229 /nfs/dbraw/zinc/58/42/29/598584229.db2.gz WPDYOGVYMYDYNL-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000736137231 598747526 /nfs/dbraw/zinc/74/75/26/598747526.db2.gz IZPDARQKHZGPKB-SNVBAGLBSA-N -1 3 353.342 2.214 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000736137231 598747527 /nfs/dbraw/zinc/74/75/27/598747527.db2.gz IZPDARQKHZGPKB-SNVBAGLBSA-N -1 3 353.342 2.214 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645946 599483369 /nfs/dbraw/zinc/48/33/69/599483369.db2.gz XIQZWQPBTSLUPG-MWLCHTKSSA-N -1 3 355.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645946 599483372 /nfs/dbraw/zinc/48/33/72/599483372.db2.gz XIQZWQPBTSLUPG-MWLCHTKSSA-N -1 3 355.358 2.039 20 5 FEBDHM Cc1cc([C@@](C)(O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)o1 ZINC000822191613 599576672 /nfs/dbraw/zinc/57/66/72/599576672.db2.gz LTAGWWWMKXBLQS-INIZCTEOSA-N -1 3 358.358 2.304 20 5 FEBDHM Cc1cc([C@@](C)(O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)o1 ZINC000822191613 599576674 /nfs/dbraw/zinc/57/66/74/599576674.db2.gz LTAGWWWMKXBLQS-INIZCTEOSA-N -1 3 358.358 2.304 20 5 FEBDHM COc1ccc(OCCN2CCC([C@H](C)NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829501027 604054393 /nfs/dbraw/zinc/05/43/93/604054393.db2.gz TXKYSZQARHHQTM-LBPRGKRZSA-N -1 3 367.402 2.350 20 5 FEBDHM Cn1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000826361929 607678984 /nfs/dbraw/zinc/67/89/84/607678984.db2.gz WLGZGOBHUOYQDJ-UHFFFAOYSA-N -1 3 368.279 2.139 20 5 FEBDHM Cn1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000826361929 607678986 /nfs/dbraw/zinc/67/89/86/607678986.db2.gz WLGZGOBHUOYQDJ-UHFFFAOYSA-N -1 3 368.279 2.139 20 5 FEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823343950 606265736 /nfs/dbraw/zinc/26/57/36/606265736.db2.gz LXSYVCJJSHHWMP-UHFFFAOYSA-N -1 3 373.260 2.075 20 5 FEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823343950 606265738 /nfs/dbraw/zinc/26/57/38/606265738.db2.gz LXSYVCJJSHHWMP-UHFFFAOYSA-N -1 3 373.260 2.075 20 5 FEBDHM CCOc1cc(NCCNc2ncccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821401644 606460009 /nfs/dbraw/zinc/46/00/09/606460009.db2.gz YMSXRXBLBFJPJM-UHFFFAOYSA-N -1 3 370.373 2.093 20 5 FEBDHM CCOc1cc(NCCNc2ncccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821401644 606460010 /nfs/dbraw/zinc/46/00/10/606460010.db2.gz YMSXRXBLBFJPJM-UHFFFAOYSA-N -1 3 370.373 2.093 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc1 ZINC000823640065 606481681 /nfs/dbraw/zinc/48/16/81/606481681.db2.gz QWLRRRQPMDSDCP-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc1 ZINC000823640065 606481683 /nfs/dbraw/zinc/48/16/83/606481683.db2.gz QWLRRRQPMDSDCP-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM Cc1cc(F)cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203412 606590911 /nfs/dbraw/zinc/59/09/11/606590911.db2.gz SJWUIDPOQZLLKE-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc(F)cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203412 606590913 /nfs/dbraw/zinc/59/09/13/606590913.db2.gz SJWUIDPOQZLLKE-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM CN(CCOc1ccccc1F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821604910 606644861 /nfs/dbraw/zinc/64/48/61/606644861.db2.gz MTOTVAGLRHPFMO-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822271086 606655925 /nfs/dbraw/zinc/65/59/25/606655925.db2.gz LTASKOBNNAVGMG-UHFFFAOYSA-N -1 3 368.353 2.409 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822271086 606655926 /nfs/dbraw/zinc/65/59/26/606655926.db2.gz LTASKOBNNAVGMG-UHFFFAOYSA-N -1 3 368.353 2.409 20 5 FEBDHM COC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821670081 606877305 /nfs/dbraw/zinc/87/73/05/606877305.db2.gz MFCVEHBOWPSMTN-UHFFFAOYSA-N -1 3 354.326 2.174 20 5 FEBDHM COC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821670081 606877306 /nfs/dbraw/zinc/87/73/06/606877306.db2.gz MFCVEHBOWPSMTN-UHFFFAOYSA-N -1 3 354.326 2.174 20 5 FEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1C1CCCCC1 ZINC000823512130 607035424 /nfs/dbraw/zinc/03/54/24/607035424.db2.gz LFMRFMPRCPBOCQ-HNNXBMFYSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1C1CCCCC1 ZINC000823512130 607035425 /nfs/dbraw/zinc/03/54/25/607035425.db2.gz LFMRFMPRCPBOCQ-HNNXBMFYSA-N -1 3 371.401 2.120 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640172 607176858 /nfs/dbraw/zinc/17/68/58/607176858.db2.gz WMNPWVRQHJILEV-BMIGLBTASA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640172 607176859 /nfs/dbraw/zinc/17/68/59/607176859.db2.gz WMNPWVRQHJILEV-BMIGLBTASA-N -1 3 362.415 2.242 20 5 FEBDHM CCOc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825632533 607787287 /nfs/dbraw/zinc/78/72/87/607787287.db2.gz WDTHXTXTNBRDNU-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM CCOc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825632533 607787288 /nfs/dbraw/zinc/78/72/88/607787288.db2.gz WDTHXTXTNBRDNU-UHFFFAOYSA-N -1 3 368.353 2.450 20 5 FEBDHM Cc1csc([C@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826321160 607841479 /nfs/dbraw/zinc/84/14/79/607841479.db2.gz SHGQGKUZVHSSKP-CYBMUJFWSA-N -1 3 373.398 2.118 20 5 FEBDHM Cc1ccc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826291781 607863464 /nfs/dbraw/zinc/86/34/64/607863464.db2.gz VTTQJMNVPGKKBE-UHFFFAOYSA-N -1 3 355.310 2.068 20 5 FEBDHM Cc1ccc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826291781 607863465 /nfs/dbraw/zinc/86/34/65/607863465.db2.gz VTTQJMNVPGKKBE-UHFFFAOYSA-N -1 3 355.310 2.068 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000826497422 607873523 /nfs/dbraw/zinc/87/35/23/607873523.db2.gz GXXRRTFLNSRVEC-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000826497422 607873524 /nfs/dbraw/zinc/87/35/24/607873524.db2.gz GXXRRTFLNSRVEC-CYBMUJFWSA-N -1 3 363.280 2.166 20 5 FEBDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000826262053 607937517 /nfs/dbraw/zinc/93/75/17/607937517.db2.gz COVPREGJJHJVKC-UHFFFAOYSA-N -1 3 351.370 2.349 20 5 FEBDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000826262053 607937518 /nfs/dbraw/zinc/93/75/18/607937518.db2.gz COVPREGJJHJVKC-UHFFFAOYSA-N -1 3 351.370 2.349 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000826497942 607937728 /nfs/dbraw/zinc/93/77/28/607937728.db2.gz ZYYLZEKIPINXDB-UHFFFAOYSA-N -1 3 367.325 2.246 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000826497942 607937729 /nfs/dbraw/zinc/93/77/29/607937729.db2.gz ZYYLZEKIPINXDB-UHFFFAOYSA-N -1 3 367.325 2.246 20 5 FEBDHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc([N+](=O)[O-])c1 ZINC000826258485 607950929 /nfs/dbraw/zinc/95/09/29/607950929.db2.gz MWVNVZIEGXVZRO-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc([N+](=O)[O-])c1 ZINC000826258485 607950930 /nfs/dbraw/zinc/95/09/30/607950930.db2.gz MWVNVZIEGXVZRO-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM CC(C)(C)OC(=O)CCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824099504 608295434 /nfs/dbraw/zinc/29/54/34/608295434.db2.gz HZRLFLWXDJIQAQ-UHFFFAOYSA-N -1 3 363.378 2.094 20 5 FEBDHM CC(C)(C)OC(=O)CCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824099504 608295436 /nfs/dbraw/zinc/29/54/36/608295436.db2.gz HZRLFLWXDJIQAQ-UHFFFAOYSA-N -1 3 363.378 2.094 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(-c3nnn[n-]3)cs1)CC2 ZINC000826273132 608336800 /nfs/dbraw/zinc/33/68/00/608336800.db2.gz QTOPJKNBQQLULQ-UHFFFAOYSA-N -1 3 356.367 2.348 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(-c3nn[n-]n3)cs1)CC2 ZINC000826273132 608336801 /nfs/dbraw/zinc/33/68/01/608336801.db2.gz QTOPJKNBQQLULQ-UHFFFAOYSA-N -1 3 356.367 2.348 20 5 FEBDHM C[C@@H](NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824564545 608563830 /nfs/dbraw/zinc/56/38/30/608563830.db2.gz VNEQKIXTMXYXGI-LLVKDONJSA-N -1 3 367.369 2.064 20 5 FEBDHM CC[C@@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000825075832 609172677 /nfs/dbraw/zinc/17/26/77/609172677.db2.gz RBJXXVFHXDDABY-SNVBAGLBSA-N -1 3 370.373 2.354 20 5 FEBDHM CC[C@@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000825075832 609172679 /nfs/dbraw/zinc/17/26/79/609172679.db2.gz RBJXXVFHXDDABY-SNVBAGLBSA-N -1 3 370.373 2.354 20 5 FEBDHM Cc1cc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826267332 609284618 /nfs/dbraw/zinc/28/46/18/609284618.db2.gz AFHDYCRQXMGSAE-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM Cc1cc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267332 609284620 /nfs/dbraw/zinc/28/46/20/609284620.db2.gz AFHDYCRQXMGSAE-UHFFFAOYSA-N -1 3 353.338 2.369 20 5 FEBDHM COC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000826145106 609553896 /nfs/dbraw/zinc/55/38/96/609553896.db2.gz ZUFACDIYHOJIAQ-UHFFFAOYSA-N -1 3 355.358 2.304 20 5 FEBDHM COC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000826145106 609553899 /nfs/dbraw/zinc/55/38/99/609553899.db2.gz ZUFACDIYHOJIAQ-UHFFFAOYSA-N -1 3 355.358 2.304 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000814278147 674829627 /nfs/dbraw/zinc/82/96/27/674829627.db2.gz FJXJVDKMTKGUNK-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000056124709 670359870 /nfs/dbraw/zinc/35/98/70/670359870.db2.gz CKEXCWVUCPAYKZ-UHFFFAOYSA-N -1 3 355.303 2.121 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000570623768 670741648 /nfs/dbraw/zinc/74/16/48/670741648.db2.gz QSZLDCLKQYFQHK-CYBMUJFWSA-N -1 3 358.416 2.135 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(CC2CC2)C1 ZINC000108403787 670829385 /nfs/dbraw/zinc/82/93/85/670829385.db2.gz NHLJTAMMQYLNPQ-LBPRGKRZSA-N -1 3 359.835 2.011 20 5 FEBDHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572646350 671027735 /nfs/dbraw/zinc/02/77/35/671027735.db2.gz UZJYCBYRWAWBQN-LBPRGKRZSA-N -1 3 371.821 2.137 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CCN2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590808 672593697 /nfs/dbraw/zinc/59/36/97/672593697.db2.gz BZLUZUGJIRWOAG-UHFFFAOYSA-N -1 3 359.423 2.053 20 5 FEBDHM O=c1[n-]nc(SCc2cc(F)ccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000193227685 672717230 /nfs/dbraw/zinc/71/72/30/672717230.db2.gz CYZOYMCBHFSTJO-NSHDSACASA-N -1 3 354.363 2.090 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)nc1 ZINC000593577533 672949191 /nfs/dbraw/zinc/94/91/91/672949191.db2.gz KRYIDOWQBYCLHX-DZGCQCFKSA-N -1 3 363.395 2.188 20 5 FEBDHM C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000604307304 675804335 /nfs/dbraw/zinc/80/43/35/675804335.db2.gz RJAZGFNXXXTYIU-GFCCVEGCSA-N -1 3 371.459 2.089 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC000765187020 680834286 /nfs/dbraw/zinc/83/42/86/680834286.db2.gz YQDMPZRFICUKPZ-JTQLQIEISA-N -1 3 356.322 2.067 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000751448691 680176939 /nfs/dbraw/zinc/17/69/39/680176939.db2.gz QQZXJWCTXGIMRJ-LLVKDONJSA-N -1 3 360.775 2.162 20 5 FEBDHM CC(C)CCSc1ccc(C(=O)[N-]N2CN=NC2=O)cc1[N+](=O)[O-] ZINC000782125913 682008784 /nfs/dbraw/zinc/00/87/84/682008784.db2.gz QYLGOXYNUXLYNB-UHFFFAOYSA-N -1 3 351.388 2.414 20 5 FEBDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853471053 682419407 /nfs/dbraw/zinc/41/94/07/682419407.db2.gz BRMJFEXXICVFJO-QWRGUYRKSA-N -1 3 352.391 2.435 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[n-]n1 ZINC000790919522 682712893 /nfs/dbraw/zinc/71/28/93/682712893.db2.gz OQXMGCMYAPGRHH-UHFFFAOYSA-N -1 3 370.724 2.468 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000790919522 682712896 /nfs/dbraw/zinc/71/28/96/682712896.db2.gz OQXMGCMYAPGRHH-UHFFFAOYSA-N -1 3 370.724 2.468 20 5 FEBDHM O=C(NCc1ncccc1[O-])c1cccc([N+](=O)[O-])c1Br ZINC000792681540 682827229 /nfs/dbraw/zinc/82/72/29/682827229.db2.gz MAIUROHROUURSQ-UHFFFAOYSA-N -1 3 352.144 2.388 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000028321145 539830018 /nfs/dbraw/zinc/83/00/18/539830018.db2.gz FVWTUIWILSIAJP-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000046036747 540238308 /nfs/dbraw/zinc/23/83/08/540238308.db2.gz NCUOJUUAZRRDOM-GXTWGEPZSA-N -1 3 372.443 2.477 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1cccc(C)c1 ZINC000052782265 540489411 /nfs/dbraw/zinc/48/94/11/540489411.db2.gz DVZDLKFVKRQYKL-UHFFFAOYSA-N -1 3 366.395 2.269 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCN(C)c1ccccc1 ZINC000053214421 540518025 /nfs/dbraw/zinc/51/80/25/540518025.db2.gz GOCFESUOXDIUOA-UHFFFAOYSA-N -1 3 365.411 2.018 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000055240505 540639084 /nfs/dbraw/zinc/63/90/84/540639084.db2.gz SJECJCAAXNQLJZ-NEPJUHHUSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000055941693 540689138 /nfs/dbraw/zinc/68/91/38/540689138.db2.gz QHNDCINOLRJNNN-UHFFFAOYSA-N -1 3 350.352 2.110 20 5 FEBDHM CNC(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000057245647 540781937 /nfs/dbraw/zinc/78/19/37/540781937.db2.gz HDWADSMYEBPECI-UHFFFAOYSA-N -1 3 353.338 2.391 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)COCC(F)(F)F ZINC000067430075 541463902 /nfs/dbraw/zinc/46/39/02/541463902.db2.gz LLKDQUIWGAJBDD-SECBINFHSA-N -1 3 356.322 2.149 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069126135 541661039 /nfs/dbraw/zinc/66/10/39/541661039.db2.gz DMFAOCJPZJFHJH-VIFPVBQESA-N -1 3 358.807 2.330 20 5 FEBDHM COCc1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000103201152 543097279 /nfs/dbraw/zinc/09/72/79/543097279.db2.gz XDJQWHDGWVSVTD-UHFFFAOYSA-N -1 3 360.355 2.235 20 5 FEBDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000109390510 543323774 /nfs/dbraw/zinc/32/37/74/543323774.db2.gz DHRDDXDOANPBMP-UHFFFAOYSA-N -1 3 354.388 2.012 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000115298856 543558896 /nfs/dbraw/zinc/55/88/96/543558896.db2.gz AVNZHHMDDCAYGY-CQSZACIVSA-N -1 3 362.407 2.439 20 5 FEBDHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc([N+](=O)[O-])c1 ZINC000123106517 543742659 /nfs/dbraw/zinc/74/26/59/543742659.db2.gz IISRKCMXYHPKDQ-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123169281 543746332 /nfs/dbraw/zinc/74/63/32/543746332.db2.gz VCPUFUWLELWJAD-WDEREUQCSA-N -1 3 361.489 2.363 20 5 FEBDHM O=[N+]([O-])c1ccccc1/C=C/CNCC[N-]S(=O)(=O)c1cccs1 ZINC000122174377 543704618 /nfs/dbraw/zinc/70/46/18/543704618.db2.gz VAUFXJYBRKQMAE-ZZXKWVIFSA-N -1 3 367.452 2.238 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000125736891 543898571 /nfs/dbraw/zinc/89/85/71/543898571.db2.gz VXXARBOZALAPRQ-BIMULSAOSA-N -1 3 358.441 2.201 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000136552560 544374572 /nfs/dbraw/zinc/37/45/72/544374572.db2.gz JHGSUPLCJNJMNO-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O)c1 ZINC000183717467 327831994 /nfs/dbraw/zinc/83/19/94/327831994.db2.gz MFLMLLFZFLIWRT-ZJUUUORDSA-N -1 3 350.824 2.242 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184663749 327877784 /nfs/dbraw/zinc/87/77/84/327877784.db2.gz MMLHRMMBPJCZBC-UHFFFAOYSA-N -1 3 353.400 2.327 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000190065516 328185357 /nfs/dbraw/zinc/18/53/57/328185357.db2.gz PKLWPCUGSJTKSE-QWHCGFSZSA-N -1 3 353.444 2.115 20 5 FEBDHM O=C([N-]c1cc(N2CCCS2(=O)=O)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000056006851 324794044 /nfs/dbraw/zinc/79/40/44/324794044.db2.gz WKHMJDCJHSRDGS-UHFFFAOYSA-N -1 3 369.330 2.119 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1[O-] ZINC000097682094 325462937 /nfs/dbraw/zinc/46/29/37/325462937.db2.gz NOCQHLACIZXXQP-UHFFFAOYSA-N -1 3 355.148 2.288 20 5 FEBDHM O=C(Nc1nc(Cc2ccccc2)ns1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000107356190 325625566 /nfs/dbraw/zinc/62/55/66/325625566.db2.gz HXIOWCVRZNBZCI-UHFFFAOYSA-N -1 3 357.351 2.390 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c1C ZINC000119485922 326168270 /nfs/dbraw/zinc/16/82/70/326168270.db2.gz MYGXFSSUKWITKK-UHFFFAOYSA-N -1 3 374.422 2.380 20 5 FEBDHM CCOc1cc(NCC[N-]S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000120005882 326220850 /nfs/dbraw/zinc/22/08/50/326220850.db2.gz MCXAGUUZYMYGCV-UHFFFAOYSA-N -1 3 371.440 2.445 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123028848 326417741 /nfs/dbraw/zinc/41/77/41/326417741.db2.gz QLSCHAJWBHGEJI-UHFFFAOYSA-N -1 3 357.413 2.237 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)c1C ZINC000124745122 326459333 /nfs/dbraw/zinc/45/93/33/326459333.db2.gz PYCWVEAQDLVJOV-ZBFHGGJFSA-N -1 3 356.444 2.431 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000159906000 326946647 /nfs/dbraw/zinc/94/66/47/326946647.db2.gz PDIBOYFAYISJTP-VIFPVBQESA-N -1 3 369.399 2.118 20 5 FEBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000268469685 329423656 /nfs/dbraw/zinc/42/36/56/329423656.db2.gz HFMNWPFMSNOABP-UHFFFAOYSA-N -1 3 372.443 2.479 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c1C ZINC000268906825 329467088 /nfs/dbraw/zinc/46/70/88/329467088.db2.gz XUTCMGHHTFWKJL-ZDUSSCGKSA-N -1 3 364.427 2.301 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c1C ZINC000268906820 329467210 /nfs/dbraw/zinc/46/72/10/329467210.db2.gz XUTCMGHHTFWKJL-CYBMUJFWSA-N -1 3 364.427 2.301 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270674244 329621091 /nfs/dbraw/zinc/62/10/91/329621091.db2.gz XAVPULFDAUPLCK-NHYWBVRUSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c([N+](=O)[O-])c1 ZINC000271744209 329720981 /nfs/dbraw/zinc/72/09/81/329720981.db2.gz ANRABOIFMKHUSV-LBPRGKRZSA-N -1 3 372.443 2.071 20 5 FEBDHM Cc1nn(C)c(C(=O)NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000156547881 545635043 /nfs/dbraw/zinc/63/50/43/545635043.db2.gz YYSJYKASSKZFDV-UHFFFAOYSA-N -1 3 369.175 2.035 20 5 FEBDHM CN(C)CCOc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000160236905 546020100 /nfs/dbraw/zinc/02/01/00/546020100.db2.gz KIRUNCUOQNXIKS-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCO[C@@H]1CC(C)C ZINC000478764418 561174384 /nfs/dbraw/zinc/17/43/84/561174384.db2.gz IPVGDPAEQSKKNZ-DZGCQCFKSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478774152 561174631 /nfs/dbraw/zinc/17/46/31/561174631.db2.gz RNXYTWZWHDUMNZ-ZFWWWQNUSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccccc1-c1nc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)n[nH]1 ZINC000171024697 546186604 /nfs/dbraw/zinc/18/66/04/546186604.db2.gz DDZBOCDBZNSGBC-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000480757430 561216154 /nfs/dbraw/zinc/21/61/54/561216154.db2.gz QXNARPJPEIXHDB-GFCCVEGCSA-N -1 3 358.416 2.302 20 5 FEBDHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000480873642 561219061 /nfs/dbraw/zinc/21/90/61/561219061.db2.gz LEELMWYYQMVLPW-LSDHHAIUSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000481044814 561223849 /nfs/dbraw/zinc/22/38/49/561223849.db2.gz FMWUHBSOKYOTCQ-AWEZNQCLSA-N -1 3 368.386 2.363 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000481604254 561237200 /nfs/dbraw/zinc/23/72/00/561237200.db2.gz XZLOWTALTBBLGX-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000179663794 546994169 /nfs/dbraw/zinc/99/41/69/546994169.db2.gz HYDGILGSZQYBCQ-UHFFFAOYSA-N -1 3 351.265 2.494 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000180074806 547047665 /nfs/dbraw/zinc/04/76/65/547047665.db2.gz DBZPUROGJWLZCV-CQSZACIVSA-N -1 3 354.384 2.037 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC000190086131 548316455 /nfs/dbraw/zinc/31/64/55/548316455.db2.gz QSYQTBDYGPCLPQ-MAZHCROVSA-N -1 3 366.439 2.448 20 5 FEBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000487136616 561364706 /nfs/dbraw/zinc/36/47/06/561364706.db2.gz YCXFUIGRWPOTFA-UHFFFAOYSA-N -1 3 358.416 2.303 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000268264872 550041861 /nfs/dbraw/zinc/04/18/61/550041861.db2.gz NINRQBOZDFHWBY-CQSZACIVSA-N -1 3 366.395 2.269 20 5 FEBDHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493602915 561457141 /nfs/dbraw/zinc/45/71/41/561457141.db2.gz IHFIFNOVNHMDRP-UHFFFAOYSA-N -1 3 369.374 2.178 20 5 FEBDHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270613659 550289457 /nfs/dbraw/zinc/28/94/57/550289457.db2.gz YVTCAYDYXVFRLH-MRVPVSSYSA-N -1 3 357.367 2.015 20 5 FEBDHM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000270613659 550289459 /nfs/dbraw/zinc/28/94/59/550289459.db2.gz YVTCAYDYXVFRLH-MRVPVSSYSA-N -1 3 357.367 2.015 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc([C@@H](C)O)c(C)n1 ZINC000272096755 550422316 /nfs/dbraw/zinc/42/23/16/550422316.db2.gz KOFLYAQLZGXNBD-GFCCVEGCSA-N -1 3 365.411 2.138 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000272384825 550442913 /nfs/dbraw/zinc/44/29/13/550442913.db2.gz HGHCMQXODGZEIG-GFCCVEGCSA-N -1 3 370.383 2.253 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)c1[N+](=O)[O-] ZINC000276925806 550611843 /nfs/dbraw/zinc/61/18/43/550611843.db2.gz ZKUZUWRUXRMEOT-UHFFFAOYSA-N -1 3 364.427 2.223 20 5 FEBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277002896 550620516 /nfs/dbraw/zinc/62/05/16/550620516.db2.gz UOPKWEBVLSTTFK-UWVGGRQHSA-N -1 3 353.404 2.266 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000277224963 550645339 /nfs/dbraw/zinc/64/53/39/550645339.db2.gz IEBQXLWGXDXYGZ-LBPRGKRZSA-N -1 3 372.303 2.362 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1 ZINC000277695696 550702718 /nfs/dbraw/zinc/70/27/18/550702718.db2.gz LATXSKURNISQLS-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)cc1C ZINC000282605880 551251079 /nfs/dbraw/zinc/25/10/79/551251079.db2.gz KLIPPWPBZRNGTL-AWEZNQCLSA-N -1 3 364.427 2.301 20 5 FEBDHM CCC(=O)c1ccc(N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c([N+](=O)[O-])c1 ZINC000286536299 551897318 /nfs/dbraw/zinc/89/73/18/551897318.db2.gz YYKPGCXMKCPDAR-KPZWWZAWSA-N -1 3 374.397 2.145 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000501474152 561598163 /nfs/dbraw/zinc/59/81/63/561598163.db2.gz QHRHCOKQSDIRQP-MWLCHTKSSA-N -1 3 350.343 2.342 20 5 FEBDHM CCOC(=O)c1sc2[n-]c(Cc3ccc([N+](=O)[O-])cn3)nc(=O)c2c1C ZINC000502796454 561625839 /nfs/dbraw/zinc/62/58/39/561625839.db2.gz PVDKHNNDURIBNC-UHFFFAOYSA-N -1 3 374.378 2.364 20 5 FEBDHM CCOC(=O)Cc1cnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000296887919 553225426 /nfs/dbraw/zinc/22/54/26/553225426.db2.gz IBLYRUQLVARCAV-UHFFFAOYSA-N -1 3 367.387 2.256 20 5 FEBDHM COC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319594084 553763902 /nfs/dbraw/zinc/76/39/02/553763902.db2.gz KUFRLEVFLGHPTH-UHFFFAOYSA-N -1 3 364.807 2.260 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000321448221 553766928 /nfs/dbraw/zinc/76/69/28/553766928.db2.gz GPJMRBDLMNFPQJ-QMMMGPOBSA-N -1 3 364.807 2.257 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C ZINC000326106039 553779113 /nfs/dbraw/zinc/77/91/13/553779113.db2.gz BTPMMHPXYJJBOF-ZWNOBZJWSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000326051951 553779158 /nfs/dbraw/zinc/77/91/58/553779158.db2.gz AVSZKBDQIQJDFP-ZETCQYMHSA-N -1 3 370.305 2.001 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000326807183 553783443 /nfs/dbraw/zinc/78/34/43/553783443.db2.gz DQHUOSVVYJKUMH-RYUDHWBXSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000506418534 561698445 /nfs/dbraw/zinc/69/84/45/561698445.db2.gz ZKYOTOMFSVHCIN-UHFFFAOYSA-N -1 3 363.351 2.160 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421193 554119843 /nfs/dbraw/zinc/11/98/43/554119843.db2.gz QCMJWOMEOJELSS-KBPBESRZSA-N -1 3 355.460 2.302 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485277 554128044 /nfs/dbraw/zinc/12/80/44/554128044.db2.gz ARYCKTHKMACXOH-QWHCGFSZSA-N -1 3 371.459 2.002 20 5 FEBDHM CCC(CC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000510585635 561839677 /nfs/dbraw/zinc/83/96/77/561839677.db2.gz WZGATLQVHSUSLR-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM Cc1cccc(CN2CCC(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000364613881 555353369 /nfs/dbraw/zinc/35/33/69/555353369.db2.gz DBNAXKQJYVNMGK-UHFFFAOYSA-N -1 3 370.409 2.398 20 5 FEBDHM COc1cc(C(=O)[N-]c2nnc(-c3nccn3C)s2)ccc1[N+](=O)[O-] ZINC000366839909 555948178 /nfs/dbraw/zinc/94/81/78/555948178.db2.gz MPOLOMQDUPQHOA-UHFFFAOYSA-N -1 3 360.355 2.108 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000368763185 556407894 /nfs/dbraw/zinc/40/78/94/556407894.db2.gz RFQAHSWBNZTCIC-HOTGVXAUSA-N -1 3 370.427 2.087 20 5 FEBDHM Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000371822451 557303870 /nfs/dbraw/zinc/30/38/70/557303870.db2.gz KLQVCQPTROTLRX-UHFFFAOYSA-N -1 3 356.317 2.662 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000373347457 557677041 /nfs/dbraw/zinc/67/70/41/557677041.db2.gz LVVJVQXNTKLVRM-HOTGVXAUSA-N -1 3 370.427 2.087 20 5 FEBDHM CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376000447 558112078 /nfs/dbraw/zinc/11/20/78/558112078.db2.gz SLZRDCLMJNJNDL-KSSFIOAISA-N -1 3 370.409 2.460 20 5 FEBDHM Cc1cc(C(=O)N2CCCN(c3ccccc3F)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376419962 558170765 /nfs/dbraw/zinc/17/07/65/558170765.db2.gz IPTYTCVIQVFZQH-UHFFFAOYSA-N -1 3 374.372 2.495 20 5 FEBDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000378253141 558512159 /nfs/dbraw/zinc/51/21/59/558512159.db2.gz QFMXTLWLBMQLNQ-ZDUSSCGKSA-N -1 3 364.427 2.264 20 5 FEBDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000378253138 558512274 /nfs/dbraw/zinc/51/22/74/558512274.db2.gz QFMXTLWLBMQLNQ-CYBMUJFWSA-N -1 3 364.427 2.264 20 5 FEBDHM CCn1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1=O ZINC000414399747 559161636 /nfs/dbraw/zinc/16/16/36/559161636.db2.gz VXLXTQMCQHYQFD-UHFFFAOYSA-N -1 3 351.384 2.194 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000416505541 559318474 /nfs/dbraw/zinc/31/84/74/559318474.db2.gz BKYWJXDUCKFENG-HNNXBMFYSA-N -1 3 356.444 2.450 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000416607014 559324844 /nfs/dbraw/zinc/32/48/44/559324844.db2.gz YDUFQJUPBIJWPS-ZUZCIYMTSA-N -1 3 358.416 2.085 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416630563 559326341 /nfs/dbraw/zinc/32/63/41/559326341.db2.gz UJTYNRYWZARFQS-GXFFZTMASA-N -1 3 350.824 2.322 20 5 FEBDHM Cc1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1[N+](=O)[O-] ZINC000426015905 559727831 /nfs/dbraw/zinc/72/78/31/559727831.db2.gz IKLRUEHDPSRPEI-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426726332 559741060 /nfs/dbraw/zinc/74/10/60/559741060.db2.gz IWHDHSNSRYOTKA-NSHDSACASA-N -1 3 372.303 2.362 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(OC)c(Br)cn2)n1 ZINC000427688365 559760447 /nfs/dbraw/zinc/76/04/47/559760447.db2.gz LCXFLBHXWZBADF-UHFFFAOYSA-N -1 3 370.163 2.230 20 5 FEBDHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000431645694 559843240 /nfs/dbraw/zinc/84/32/40/559843240.db2.gz RGLYLUFTWOTNDF-LLVKDONJSA-N -1 3 371.459 2.042 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000433360778 559878457 /nfs/dbraw/zinc/87/84/57/559878457.db2.gz BFQFEWPZNZRHQL-UHFFFAOYSA-N -1 3 374.846 2.469 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000434776076 559909116 /nfs/dbraw/zinc/90/91/16/559909116.db2.gz MEKHUTUJVRYICF-LBPRGKRZSA-N -1 3 359.473 2.260 20 5 FEBDHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000436643318 559947589 /nfs/dbraw/zinc/94/75/89/559947589.db2.gz OJBGKDHIRUTXAP-UHFFFAOYSA-N -1 3 369.333 2.206 20 5 FEBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n(C2CCN(C)CC2)n1 ZINC000436970053 559957832 /nfs/dbraw/zinc/95/78/32/559957832.db2.gz BUWJGKBSJZMFEM-UHFFFAOYSA-N -1 3 359.386 2.324 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c1C ZINC000443272481 560077254 /nfs/dbraw/zinc/07/72/54/560077254.db2.gz ZVMHDTGSQBYLDB-CQSZACIVSA-N -1 3 368.386 2.363 20 5 FEBDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000445754674 560134727 /nfs/dbraw/zinc/13/47/27/560134727.db2.gz AKBKWMJILJCOJO-HNNXBMFYSA-N -1 3 360.407 2.344 20 5 FEBDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447940381 560173972 /nfs/dbraw/zinc/17/39/72/560173972.db2.gz NSKYTOIGXRLHIZ-CQSZACIVSA-N -1 3 359.423 2.133 20 5 FEBDHM CC[C@@H](CC(C)C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449889818 560244325 /nfs/dbraw/zinc/24/43/25/560244325.db2.gz RHLIIFSQNRCNMT-ZDUSSCGKSA-N -1 3 371.459 2.062 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C1CCC1 ZINC000451816686 560330401 /nfs/dbraw/zinc/33/04/01/560330401.db2.gz ZVVAPTCJYDLDOU-UHFFFAOYSA-N -1 3 370.427 2.486 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cnc(C)cc1C ZINC000452041614 560347342 /nfs/dbraw/zinc/34/73/42/560347342.db2.gz JVFLPYQELBCQGA-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C1(O)CCCC1 ZINC000452053586 560348410 /nfs/dbraw/zinc/34/84/10/560348410.db2.gz PHOBGWSTYYEHPL-UHFFFAOYSA-N -1 3 372.443 2.213 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000452064943 560348967 /nfs/dbraw/zinc/34/89/67/560348967.db2.gz HBVXCVDNFYSWMC-JTQLQIEISA-N -1 3 356.400 2.223 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](C)CC ZINC000467053494 560902426 /nfs/dbraw/zinc/90/24/26/560902426.db2.gz JMUKSRGAVSADJC-PRHODGIISA-N -1 3 364.445 2.221 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1OC ZINC000467424244 560909664 /nfs/dbraw/zinc/90/96/64/560909664.db2.gz HGXZZUUHIVBTPQ-UHFFFAOYSA-N -1 3 372.424 2.460 20 5 FEBDHM CN(C)C(=O)CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000467470788 560910609 /nfs/dbraw/zinc/91/06/09/560910609.db2.gz YMVPLPIFYLOXSI-UHFFFAOYSA-N -1 3 367.365 2.206 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2ccc[nH]2)c1 ZINC000467796857 560917566 /nfs/dbraw/zinc/91/75/66/560917566.db2.gz HHWUFQRMTCCWCC-UHFFFAOYSA-N -1 3 360.189 2.164 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000469069898 560946389 /nfs/dbraw/zinc/94/63/89/560946389.db2.gz UQYLYUUQUMHQRE-RYUDHWBXSA-N -1 3 370.427 2.486 20 5 FEBDHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619397 560986123 /nfs/dbraw/zinc/98/61/23/560986123.db2.gz DTNLRBHDXXEIBH-XQQFMLRXSA-N -1 3 373.450 2.379 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000470755680 560988869 /nfs/dbraw/zinc/98/88/69/560988869.db2.gz KQNWMDXDEXOVAX-UHFFFAOYSA-N -1 3 370.818 2.342 20 5 FEBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000474183030 561067737 /nfs/dbraw/zinc/06/77/37/561067737.db2.gz GKLQZXPDPLENCB-HNNXBMFYSA-N -1 3 364.423 2.439 20 5 FEBDHM COc1cccc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000475428124 561096973 /nfs/dbraw/zinc/09/69/73/561096973.db2.gz JMKGKTAIPYOFTL-GOSISDBHSA-N -1 3 370.365 2.270 20 5 FEBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000532775386 562488380 /nfs/dbraw/zinc/48/83/80/562488380.db2.gz YPJUOLSPIZYQAW-AWEZNQCLSA-N -1 3 350.396 2.224 20 5 FEBDHM Cn1cccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533007042 562495499 /nfs/dbraw/zinc/49/54/99/562495499.db2.gz LNJMCFSUQBQWSB-UHFFFAOYSA-N -1 3 363.317 2.431 20 5 FEBDHM CC(C)CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497933 562510914 /nfs/dbraw/zinc/51/09/14/562510914.db2.gz YSXSIDVYIWQCDQ-CQSZACIVSA-N -1 3 355.460 2.384 20 5 FEBDHM O=C(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000737849188 598830493 /nfs/dbraw/zinc/83/04/93/598830493.db2.gz YTGWFHBNWMCHFR-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM O=C(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000737849188 598830495 /nfs/dbraw/zinc/83/04/95/598830495.db2.gz YTGWFHBNWMCHFR-UHFFFAOYSA-N -1 3 353.342 2.216 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822492054 599046733 /nfs/dbraw/zinc/04/67/33/599046733.db2.gz PNRRROITAOGRGP-SECBINFHSA-N -1 3 356.390 2.168 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822492054 599046735 /nfs/dbraw/zinc/04/67/35/599046735.db2.gz PNRRROITAOGRGP-SECBINFHSA-N -1 3 356.390 2.168 20 5 FEBDHM O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)o2)c(-c2nnn[n-]2)c1 ZINC000823652290 599145416 /nfs/dbraw/zinc/14/54/16/599145416.db2.gz YYRJYEBAJCPRTL-UHFFFAOYSA-N -1 3 374.367 2.433 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822927866 599181943 /nfs/dbraw/zinc/18/19/43/599181943.db2.gz BPVYHPAOAZXWII-BAQGIRSFSA-N -1 3 368.328 2.244 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822927866 599181946 /nfs/dbraw/zinc/18/19/46/599181946.db2.gz BPVYHPAOAZXWII-BAQGIRSFSA-N -1 3 368.328 2.244 20 5 FEBDHM CC(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000819826190 607345667 /nfs/dbraw/zinc/34/56/67/607345667.db2.gz GJWHVJATGHXWFC-UHFFFAOYSA-N -1 3 353.342 2.345 20 5 FEBDHM Cc1sc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737560507 598302236 /nfs/dbraw/zinc/30/22/36/598302236.db2.gz GITLGJXTRLRNIH-UHFFFAOYSA-N -1 3 362.346 2.214 20 5 FEBDHM Cc1sc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737560507 598302238 /nfs/dbraw/zinc/30/22/38/598302238.db2.gz GITLGJXTRLRNIH-UHFFFAOYSA-N -1 3 362.346 2.214 20 5 FEBDHM Cc1nccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737498952 598339774 /nfs/dbraw/zinc/33/97/74/598339774.db2.gz HXAQRLAILKZJIV-CYBMUJFWSA-N -1 3 354.374 2.121 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737498619 598491687 /nfs/dbraw/zinc/49/16/87/598491687.db2.gz JERIGTBJNUEJPE-UHFFFAOYSA-N -1 3 370.373 2.287 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737498619 598491688 /nfs/dbraw/zinc/49/16/88/598491688.db2.gz JERIGTBJNUEJPE-UHFFFAOYSA-N -1 3 370.373 2.287 20 5 FEBDHM CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000736531470 598498527 /nfs/dbraw/zinc/49/85/27/598498527.db2.gz HOFLHRJNSYBUAU-UHFFFAOYSA-N -1 3 355.362 2.155 20 5 FEBDHM CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736531470 598498529 /nfs/dbraw/zinc/49/85/29/598498529.db2.gz HOFLHRJNSYBUAU-UHFFFAOYSA-N -1 3 355.362 2.155 20 5 FEBDHM Cc1csc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737454758 598500730 /nfs/dbraw/zinc/50/07/30/598500730.db2.gz GFGIPQJHTROVDF-LLVKDONJSA-N -1 3 358.387 2.276 20 5 FEBDHM Cc1csc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737454758 598500731 /nfs/dbraw/zinc/50/07/31/598500731.db2.gz GFGIPQJHTROVDF-LLVKDONJSA-N -1 3 358.387 2.276 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCc3ccccc3N2)c(-c2nnn[n-]2)c1 ZINC000738375016 598503012 /nfs/dbraw/zinc/50/30/12/598503012.db2.gz XUPPYLDQNCPEND-NSHDSACASA-N -1 3 352.358 2.009 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCc3ccccc3N2)c(-c2nn[n-]n2)c1 ZINC000738375016 598503013 /nfs/dbraw/zinc/50/30/13/598503013.db2.gz XUPPYLDQNCPEND-NSHDSACASA-N -1 3 352.358 2.009 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@]2(O)CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368985 598557717 /nfs/dbraw/zinc/55/77/17/598557717.db2.gz HJCYOPKPXQMJOM-GOSISDBHSA-N -1 3 366.381 2.411 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@]2(O)CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368985 598557718 /nfs/dbraw/zinc/55/77/18/598557718.db2.gz HJCYOPKPXQMJOM-GOSISDBHSA-N -1 3 366.381 2.411 20 5 FEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000737941601 598657229 /nfs/dbraw/zinc/65/72/29/598657229.db2.gz NZBLYYNLAOINLH-UHFFFAOYSA-N -1 3 370.394 2.183 20 5 FEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000737941601 598657231 /nfs/dbraw/zinc/65/72/31/598657231.db2.gz NZBLYYNLAOINLH-UHFFFAOYSA-N -1 3 370.394 2.183 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737924639 598706974 /nfs/dbraw/zinc/70/69/74/598706974.db2.gz HPRARLOYONRVKP-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737924639 598706976 /nfs/dbraw/zinc/70/69/76/598706976.db2.gz HPRARLOYONRVKP-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736138680 598747514 /nfs/dbraw/zinc/74/75/14/598747514.db2.gz NQQUCEIMLMURKK-JTQLQIEISA-N -1 3 353.342 2.214 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736138680 598747515 /nfs/dbraw/zinc/74/75/15/598747515.db2.gz NQQUCEIMLMURKK-JTQLQIEISA-N -1 3 353.342 2.214 20 5 FEBDHM CN(CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821605078 599357492 /nfs/dbraw/zinc/35/74/92/599357492.db2.gz UKBQRUYHVCKOTQ-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM CN(CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821605078 599357494 /nfs/dbraw/zinc/35/74/94/599357494.db2.gz UKBQRUYHVCKOTQ-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM COC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821684205 599554460 /nfs/dbraw/zinc/55/44/60/599554460.db2.gz VCTDDUTVLSPYOL-LLVKDONJSA-N -1 3 369.385 2.186 20 5 FEBDHM COC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821684205 599554462 /nfs/dbraw/zinc/55/44/62/599554462.db2.gz VCTDDUTVLSPYOL-LLVKDONJSA-N -1 3 369.385 2.186 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000822271106 599667407 /nfs/dbraw/zinc/66/74/07/599667407.db2.gz MPTOVVXSCGDZTG-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000822271106 599667408 /nfs/dbraw/zinc/66/74/08/599667408.db2.gz MPTOVVXSCGDZTG-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM CC(C)[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820017034 599684921 /nfs/dbraw/zinc/68/49/21/599684921.db2.gz SKELIUROKJWCPK-MRXNPFEDSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820017034 599684922 /nfs/dbraw/zinc/68/49/22/599684922.db2.gz SKELIUROKJWCPK-MRXNPFEDSA-N -1 3 357.374 2.142 20 5 FEBDHM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000740098664 599764609 /nfs/dbraw/zinc/76/46/09/599764609.db2.gz XJKSAZRGDMMBAF-NSHDSACASA-N -1 3 364.358 2.266 20 5 FEBDHM COc1ccc(OCCN2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000566357286 600830425 /nfs/dbraw/zinc/83/04/25/600830425.db2.gz OKGJNZJNDXTKOI-CYBMUJFWSA-N -1 3 350.371 2.169 20 5 FEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CCOC ZINC000580315571 602316736 /nfs/dbraw/zinc/31/67/36/602316736.db2.gz IYUZSTYENNQSFM-ZDUSSCGKSA-N -1 3 351.403 2.148 20 5 FEBDHM CCOC(=O)CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000825506405 607731358 /nfs/dbraw/zinc/73/13/58/607731358.db2.gz JOYBSRZSGRLJFH-LBPRGKRZSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000825506405 607731360 /nfs/dbraw/zinc/73/13/60/607731360.db2.gz JOYBSRZSGRLJFH-LBPRGKRZSA-N -1 3 374.401 2.335 20 5 FEBDHM Cc1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000822242699 606137485 /nfs/dbraw/zinc/13/74/85/606137485.db2.gz UVYZHUYGVOQDER-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000822242699 606137486 /nfs/dbraw/zinc/13/74/86/606137486.db2.gz UVYZHUYGVOQDER-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823261925 606349478 /nfs/dbraw/zinc/34/94/78/606349478.db2.gz XDWPWXXJRAYGDS-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823261925 606349480 /nfs/dbraw/zinc/34/94/80/606349480.db2.gz XDWPWXXJRAYGDS-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM CCOC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821343880 606429009 /nfs/dbraw/zinc/42/90/09/606429009.db2.gz XULCXPGMDMPGER-UHFFFAOYSA-N -1 3 358.314 2.157 20 5 FEBDHM CCOC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821343880 606429010 /nfs/dbraw/zinc/42/90/10/606429010.db2.gz XULCXPGMDMPGER-UHFFFAOYSA-N -1 3 358.314 2.157 20 5 FEBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823650798 606590211 /nfs/dbraw/zinc/59/02/11/606590211.db2.gz AWKCWWXPGAZZON-UHFFFAOYSA-N -1 3 364.268 2.350 20 5 FEBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823650798 606590213 /nfs/dbraw/zinc/59/02/13/606590213.db2.gz AWKCWWXPGAZZON-UHFFFAOYSA-N -1 3 364.268 2.350 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749983610 606625938 /nfs/dbraw/zinc/62/59/38/606625938.db2.gz PJAJOUIHXDNIAH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749983610 606625940 /nfs/dbraw/zinc/62/59/40/606625940.db2.gz PJAJOUIHXDNIAH-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000823242279 606813307 /nfs/dbraw/zinc/81/33/07/606813307.db2.gz SUYNLTVAHXKZAE-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000823242279 606813309 /nfs/dbraw/zinc/81/33/09/606813309.db2.gz SUYNLTVAHXKZAE-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823409698 606902216 /nfs/dbraw/zinc/90/22/16/606902216.db2.gz KNMOFRNQYBJTFN-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823409698 606902218 /nfs/dbraw/zinc/90/22/18/606902218.db2.gz KNMOFRNQYBJTFN-UHFFFAOYSA-N -1 3 373.300 2.150 20 5 FEBDHM O=C1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1C1CCCCC1 ZINC000823519538 607043781 /nfs/dbraw/zinc/04/37/81/607043781.db2.gz HQCFEHHVWJNLFH-LLVKDONJSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1C1CCCCC1 ZINC000823519538 607043782 /nfs/dbraw/zinc/04/37/82/607043782.db2.gz HQCFEHHVWJNLFH-LLVKDONJSA-N -1 3 371.401 2.120 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823630082 607176737 /nfs/dbraw/zinc/17/67/37/607176737.db2.gz QSMVTUSAQABSBI-XHDPSFHLSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823630082 607176738 /nfs/dbraw/zinc/17/67/38/607176738.db2.gz QSMVTUSAQABSBI-XHDPSFHLSA-N -1 3 362.415 2.242 20 5 FEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823450224 607246459 /nfs/dbraw/zinc/24/64/59/607246459.db2.gz KTTQIGNVWSPWGZ-UHFFFAOYSA-N -1 3 374.244 2.041 20 5 FEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823450224 607246460 /nfs/dbraw/zinc/24/64/60/607246460.db2.gz KTTQIGNVWSPWGZ-UHFFFAOYSA-N -1 3 374.244 2.041 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826400627 607948969 /nfs/dbraw/zinc/94/89/69/607948969.db2.gz CTWYDYLUPMRQPK-FPYGCLRLSA-N -1 3 362.349 2.377 20 5 FEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826400627 607948970 /nfs/dbraw/zinc/94/89/70/607948970.db2.gz CTWYDYLUPMRQPK-FPYGCLRLSA-N -1 3 362.349 2.377 20 5 FEBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824677086 607967721 /nfs/dbraw/zinc/96/77/21/607967721.db2.gz BBPQCTLITUIPMT-INIZCTEOSA-N -1 3 358.333 2.234 20 5 FEBDHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824677086 607967722 /nfs/dbraw/zinc/96/77/22/607967722.db2.gz BBPQCTLITUIPMT-INIZCTEOSA-N -1 3 358.333 2.234 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826272946 608336619 /nfs/dbraw/zinc/33/66/19/608336619.db2.gz IECQKOZOEUNDRP-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826272946 608336622 /nfs/dbraw/zinc/33/66/22/608336622.db2.gz IECQKOZOEUNDRP-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM COc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826187706 608435994 /nfs/dbraw/zinc/43/59/94/608435994.db2.gz BZINMFDGLAEBJP-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826187706 608435996 /nfs/dbraw/zinc/43/59/96/608435996.db2.gz BZINMFDGLAEBJP-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(F)cc1[N+](=O)[O-] ZINC000826180425 608548772 /nfs/dbraw/zinc/54/87/72/608548772.db2.gz HDEUYSUXHBGDRH-UHFFFAOYSA-N -1 3 374.332 2.414 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826263695 609183593 /nfs/dbraw/zinc/18/35/93/609183593.db2.gz MSIZEXFOKNDHLZ-HNNXBMFYSA-N -1 3 368.353 2.064 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826263695 609183595 /nfs/dbraw/zinc/18/35/95/609183595.db2.gz MSIZEXFOKNDHLZ-HNNXBMFYSA-N -1 3 368.353 2.064 20 5 FEBDHM Cc1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269971 609243948 /nfs/dbraw/zinc/24/39/48/609243948.db2.gz FIQXDJLGVQZTLJ-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000826186622 609437421 /nfs/dbraw/zinc/43/74/21/609437421.db2.gz CSVUKLVAAUYANA-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000826186622 609437422 /nfs/dbraw/zinc/43/74/22/609437422.db2.gz CSVUKLVAAUYANA-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2Br)cc1[N+](=O)[O-] ZINC000826334699 609499730 /nfs/dbraw/zinc/49/97/30/609499730.db2.gz FYTQEJRLTMBCPA-UHFFFAOYSA-N -1 3 364.163 2.091 20 5 FEBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2Br)cc1[N+](=O)[O-] ZINC000826334699 609499732 /nfs/dbraw/zinc/49/97/32/609499732.db2.gz FYTQEJRLTMBCPA-UHFFFAOYSA-N -1 3 364.163 2.091 20 5 FEBDHM Cc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1 ZINC000826299172 609607254 /nfs/dbraw/zinc/60/72/54/609607254.db2.gz ULPHUGQPRWVMKU-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c1 ZINC000826299172 609607256 /nfs/dbraw/zinc/60/72/56/609607256.db2.gz ULPHUGQPRWVMKU-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccnc2)c(Cl)c1 ZINC000114498249 670891168 /nfs/dbraw/zinc/89/11/68/670891168.db2.gz HLDSKJNSYBDRSP-UHFFFAOYSA-N -1 3 357.775 2.001 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c(F)c1 ZINC000585739794 672229089 /nfs/dbraw/zinc/22/90/89/672229089.db2.gz JLNQAIPSYOPXMU-UHFFFAOYSA-N -1 3 364.358 2.131 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC000159049181 672276364 /nfs/dbraw/zinc/27/63/64/672276364.db2.gz LBPXOVMWXQUBTB-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccoc2)c1 ZINC000173064222 672347789 /nfs/dbraw/zinc/34/77/89/672347789.db2.gz XXLSVQJFFOOPMZ-UHFFFAOYSA-N -1 3 361.173 2.429 20 5 FEBDHM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593533188 672935825 /nfs/dbraw/zinc/93/58/25/672935825.db2.gz ZENLEGGSORDHBV-UHFFFAOYSA-N -1 3 365.411 2.471 20 5 FEBDHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593535126 672936348 /nfs/dbraw/zinc/93/63/48/672936348.db2.gz HZNCHPRMKRADHC-CYBMUJFWSA-N -1 3 365.411 2.352 20 5 FEBDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593556468 672941685 /nfs/dbraw/zinc/94/16/85/672941685.db2.gz MRXDPXYTAXOKRS-GFCCVEGCSA-N -1 3 351.384 2.044 20 5 FEBDHM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790394 673143411 /nfs/dbraw/zinc/14/34/11/673143411.db2.gz DWYXXLRXUKNAOJ-ZDUSSCGKSA-N -1 3 353.375 2.429 20 5 FEBDHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594870108 673172698 /nfs/dbraw/zinc/17/26/98/673172698.db2.gz IWOQGTPUAORXGY-UHFFFAOYSA-N -1 3 350.400 2.074 20 5 FEBDHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594870953 673173048 /nfs/dbraw/zinc/17/30/48/673173048.db2.gz SDEPGKNIXSCITP-UHFFFAOYSA-N -1 3 368.390 2.213 20 5 FEBDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814288 673292069 /nfs/dbraw/zinc/29/20/69/673292069.db2.gz LNVVPZXMDCVLSC-RYUDHWBXSA-N -1 3 359.423 2.275 20 5 FEBDHM O=c1[n-]ccc(NCCCNc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC000596079789 673356663 /nfs/dbraw/zinc/35/66/63/673356663.db2.gz YIXUGFOFJARRAR-UHFFFAOYSA-N -1 3 357.292 3.023 20 5 FEBDHM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596232442 673370421 /nfs/dbraw/zinc/37/04/21/673370421.db2.gz UEHLQTNDQLBHPZ-HTQZYQBOSA-N -1 3 366.403 2.185 20 5 FEBDHM COC(=O)c1cnc([C@@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)s1 ZINC000596568834 673394383 /nfs/dbraw/zinc/39/43/83/673394383.db2.gz XFOFGOCNQMFKGN-SECBINFHSA-N -1 3 364.383 2.323 20 5 FEBDHM CCOC(=O)c1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])nc1C(C)C ZINC000540131441 673525271 /nfs/dbraw/zinc/52/52/71/673525271.db2.gz WYRQCSBANLBLAY-UHFFFAOYSA-N -1 3 367.387 2.337 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601393738 673854481 /nfs/dbraw/zinc/85/44/81/673854481.db2.gz KFTDBVBKXYHOFL-RISCZKNCSA-N -1 3 358.391 2.278 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CSC2)c(C(F)(F)F)c1 ZINC000603386803 673928495 /nfs/dbraw/zinc/92/84/95/673928495.db2.gz WKESYAILIGIHAN-UHFFFAOYSA-N -1 3 356.347 2.255 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619490187 676380844 /nfs/dbraw/zinc/38/08/44/676380844.db2.gz GEKLPWIXICYTOE-UHFFFAOYSA-N -1 3 369.399 2.195 20 5 FEBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750964044 680143005 /nfs/dbraw/zinc/14/30/05/680143005.db2.gz FWFIRCPEJPCXTI-UHFFFAOYSA-N -1 3 370.111 2.373 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000751448692 680176953 /nfs/dbraw/zinc/17/69/53/680176953.db2.gz QQZXJWCTXGIMRJ-NSHDSACASA-N -1 3 360.775 2.162 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CCCC(=O)OC)cs2)n1 ZINC000756725955 680494886 /nfs/dbraw/zinc/49/48/86/680494886.db2.gz YPOLISYLIHCZCB-UHFFFAOYSA-N -1 3 367.387 2.016 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000759150269 680631191 /nfs/dbraw/zinc/63/11/91/680631191.db2.gz WYEDSBAEAZKUPX-UHFFFAOYSA-N -1 3 365.411 2.466 20 5 FEBDHM NC(=O)c1ccc(COC(=O)c2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000775930554 681349832 /nfs/dbraw/zinc/34/98/32/681349832.db2.gz RLPZAEJWZGYZDD-UHFFFAOYSA-N -1 3 350.714 2.410 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848509635 681567238 /nfs/dbraw/zinc/56/72/38/681567238.db2.gz LMOMAKKHUOBPST-OLZOCXBDSA-N -1 3 357.407 2.029 20 5 FEBDHM O=C([N-][C@H]1CCN(CC(F)F)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848593635 681586593 /nfs/dbraw/zinc/58/65/93/681586593.db2.gz OWGQGCNHFKYUCU-VIFPVBQESA-N -1 3 365.283 2.022 20 5 FEBDHM O=C(O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000851178331 682030432 /nfs/dbraw/zinc/03/04/32/682030432.db2.gz KGRGDGOJJXNIEX-WRWGMCAJSA-N -1 3 358.272 2.059 20 5 FEBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000916108768 685521413 /nfs/dbraw/zinc/52/14/13/685521413.db2.gz YTBBDIMTDYUPAZ-UHFFFAOYSA-N -1 3 354.315 2.306 20 5 FEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853232736 682395530 /nfs/dbraw/zinc/39/55/30/682395530.db2.gz DHLYFUYAMHMSSA-NSHDSACASA-N -1 3 352.391 2.437 20 5 FEBDHM CC(C)(C)OC(=O)N[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1F ZINC000853974312 682497194 /nfs/dbraw/zinc/49/71/94/682497194.db2.gz CXCYEJRXQSQSAE-NXEZZACHSA-N -1 3 356.354 2.137 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ncccc2[O-])c1 ZINC000795245411 683032050 /nfs/dbraw/zinc/03/20/50/683032050.db2.gz CJBXFLUOBYXNNZ-UHFFFAOYSA-N -1 3 357.775 2.136 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ncccc1[O-] ZINC000795247131 683032082 /nfs/dbraw/zinc/03/20/82/683032082.db2.gz XTLYDRUFHRDEPA-UHFFFAOYSA-N -1 3 357.775 2.136 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCCC1 ZINC000859276766 683070872 /nfs/dbraw/zinc/07/08/72/683070872.db2.gz OATKAFJMWOOTCD-ZDUSSCGKSA-N -1 3 371.434 2.419 20 5 FEBDHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795940629 683110839 /nfs/dbraw/zinc/11/08/39/683110839.db2.gz VBAYEDMFHBRMMX-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC(F)(F)C(F)(F)F)cs1 ZINC000872560929 684978588 /nfs/dbraw/zinc/97/85/88/684978588.db2.gz QQRJXBRLJUFMQF-UHFFFAOYSA-N -1 3 370.277 2.106 20 5 FEBDHM C[C@]1(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCC(=O)N1 ZINC000537753563 540770734 /nfs/dbraw/zinc/77/07/34/540770734.db2.gz YFNJFIYMSIOPHF-KRWDZBQOSA-N -1 3 357.370 2.372 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000060508879 541115326 /nfs/dbraw/zinc/11/53/26/541115326.db2.gz CXALXCUQVWASCN-UHFFFAOYSA-N -1 3 350.352 2.110 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000083995661 542706384 /nfs/dbraw/zinc/70/63/84/542706384.db2.gz MXMMQALQSYRHLZ-VIFPVBQESA-N -1 3 358.807 2.330 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000104755279 543142319 /nfs/dbraw/zinc/14/23/19/543142319.db2.gz LZXAVTKFUHTQKF-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000104755785 543142589 /nfs/dbraw/zinc/14/25/89/543142589.db2.gz XWIHOZNZADSVDN-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2Cc2ccccc2)c1 ZINC000117733830 543638769 /nfs/dbraw/zinc/63/87/69/543638769.db2.gz ZTWOFSNJUXDWBS-UHFFFAOYSA-N -1 3 353.338 2.496 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000122817151 543725557 /nfs/dbraw/zinc/72/55/57/543725557.db2.gz BXFQEUCLNHAODP-LLVKDONJSA-N -1 3 359.429 2.139 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000125199663 543867012 /nfs/dbraw/zinc/86/70/12/543867012.db2.gz VJEUZPKEAGTKEY-JOCHJYFZSA-N -1 3 374.465 2.181 20 5 FEBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000125308263 543874303 /nfs/dbraw/zinc/87/43/03/543874303.db2.gz DKBPEPRCSYOJSB-LLVKDONJSA-N -1 3 356.425 2.285 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146897008 544442111 /nfs/dbraw/zinc/44/21/11/544442111.db2.gz PWBZPPSHLJQTNB-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188310941 328079843 /nfs/dbraw/zinc/07/98/43/328079843.db2.gz ZYXXUSGBLJLOIO-UHFFFAOYSA-N -1 3 362.361 2.039 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000189818826 328169650 /nfs/dbraw/zinc/16/96/50/328169650.db2.gz AOLRLLOYVDVXET-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cnn1C ZINC000189834700 328170599 /nfs/dbraw/zinc/17/05/99/328170599.db2.gz DGZMMALMINQCBL-LLVKDONJSA-N -1 3 352.416 2.293 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190621373 328220100 /nfs/dbraw/zinc/22/01/00/328220100.db2.gz INAHTEGDRRYZJB-FOGDFJRCSA-N -1 3 360.819 2.402 20 5 FEBDHM Cc1cc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000191065088 328248273 /nfs/dbraw/zinc/24/82/73/328248273.db2.gz PIEAPNXCIDDRNQ-UHFFFAOYSA-N -1 3 350.396 2.438 20 5 FEBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]c1-c1ccncc1 ZINC000193467468 328377224 /nfs/dbraw/zinc/37/72/24/328377224.db2.gz CMBNCHBSLXFJDW-UHFFFAOYSA-N -1 3 354.326 2.295 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000193502473 328378899 /nfs/dbraw/zinc/37/88/99/328378899.db2.gz FDGMPDXBDKQGJV-UHFFFAOYSA-N -1 3 359.360 2.419 20 5 FEBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193745725 328392900 /nfs/dbraw/zinc/39/29/00/328392900.db2.gz UWKAMWWWIJZWSG-GFCCVEGCSA-N -1 3 371.397 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000017333906 324388562 /nfs/dbraw/zinc/38/85/62/324388562.db2.gz PQBKVFUCWOOCKE-UHFFFAOYSA-N -1 3 357.338 2.263 20 5 FEBDHM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1=O ZINC000098052238 325465539 /nfs/dbraw/zinc/46/55/39/325465539.db2.gz OCCGVPUHSJPFGN-UHFFFAOYSA-N -1 3 357.775 2.231 20 5 FEBDHM Cc1c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119345638 326152052 /nfs/dbraw/zinc/15/20/52/326152052.db2.gz NBSRDNPDHJKLBE-UHFFFAOYSA-N -1 3 371.313 2.187 20 5 FEBDHM Cc1c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119345638 326152053 /nfs/dbraw/zinc/15/20/53/326152053.db2.gz NBSRDNPDHJKLBE-UHFFFAOYSA-N -1 3 371.313 2.187 20 5 FEBDHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119448435 326163837 /nfs/dbraw/zinc/16/38/37/326163837.db2.gz NQPRHDHLFDBEFR-LDYMZIIASA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c1C ZINC000121636618 326354089 /nfs/dbraw/zinc/35/40/89/326354089.db2.gz QADHRMVOSGQLKR-UMVBOHGHSA-N -1 3 354.428 2.448 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000125720012 326476745 /nfs/dbraw/zinc/47/67/45/326476745.db2.gz UPLGJDFQIZJWBU-UHFFFAOYSA-N -1 3 350.400 2.385 20 5 FEBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000128845699 326530639 /nfs/dbraw/zinc/53/06/39/326530639.db2.gz QUDIHKQYWVMQLM-SECBINFHSA-N -1 3 350.824 2.324 20 5 FEBDHM NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc([O-])c(Br)c1 ZINC000155633314 326797425 /nfs/dbraw/zinc/79/74/25/326797425.db2.gz YPGQNGCFVFLFFA-UHFFFAOYSA-N -1 3 367.159 2.169 20 5 FEBDHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000163831675 327059754 /nfs/dbraw/zinc/05/97/54/327059754.db2.gz KBKAXEFBQNHGAF-DOMZBBRYSA-N -1 3 350.396 2.385 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000173223867 327242447 /nfs/dbraw/zinc/24/24/47/327242447.db2.gz LDGIXIWUHPDVBZ-ZDUSSCGKSA-N -1 3 351.384 2.428 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000173538434 327264923 /nfs/dbraw/zinc/26/49/23/327264923.db2.gz LZGUMRJNVLTATF-KGLIPLIRSA-N -1 3 368.390 2.393 20 5 FEBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173979803 327299273 /nfs/dbraw/zinc/29/92/73/327299273.db2.gz ZEYOCUYZLXDBLY-UHFFFAOYSA-N -1 3 352.416 2.040 20 5 FEBDHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175127494 327375678 /nfs/dbraw/zinc/37/56/78/327375678.db2.gz HKFZVQOCTRSLNX-NHYWBVRUSA-N -1 3 360.407 2.463 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000267938148 329369858 /nfs/dbraw/zinc/36/98/58/329369858.db2.gz NMLASCWBKYLDCJ-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000269783047 329548540 /nfs/dbraw/zinc/54/85/40/329548540.db2.gz IOSIRQKGKDNSRH-AWEZNQCLSA-N -1 3 366.395 2.005 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000271915352 329736890 /nfs/dbraw/zinc/73/68/90/329736890.db2.gz BEWRWMVVTGEQDX-JSGCOSHPSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1C ZINC000155819868 545573102 /nfs/dbraw/zinc/57/31/02/545573102.db2.gz AIHGKHDHDPWTMA-MAZHCROVSA-N -1 3 366.439 2.448 20 5 FEBDHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)C1 ZINC000159423215 545952272 /nfs/dbraw/zinc/95/22/72/545952272.db2.gz UDKLEDUOQVITCE-VIFPVBQESA-N -1 3 350.404 2.259 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478774148 561174649 /nfs/dbraw/zinc/17/46/49/561174649.db2.gz RNXYTWZWHDUMNZ-DZGCQCFKSA-N -1 3 372.443 2.475 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000479165543 561183246 /nfs/dbraw/zinc/18/32/46/561183246.db2.gz OHHHROAWUYBSSO-LLVKDONJSA-N -1 3 356.322 2.149 20 5 FEBDHM Cc1ccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1[N+](=O)[O-] ZINC000479254582 561186016 /nfs/dbraw/zinc/18/60/16/561186016.db2.gz DUEZLVLHPKYEOV-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM Cn1cc(Nc2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)cn1 ZINC000480033996 561201784 /nfs/dbraw/zinc/20/17/84/561201784.db2.gz GOMFBGSSJJHHDO-UHFFFAOYSA-N -1 3 354.326 2.425 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@](C)(O)C1CCCCC1 ZINC000480904428 561220008 /nfs/dbraw/zinc/22/00/08/561220008.db2.gz XXRGCDIXZYJVMM-INIZCTEOSA-N -1 3 372.443 2.213 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000177733824 546677112 /nfs/dbraw/zinc/67/71/12/546677112.db2.gz XFQBVWHFOHSDTM-AWEZNQCLSA-N -1 3 350.396 2.039 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H](C)CC ZINC000481067894 561224440 /nfs/dbraw/zinc/22/44/40/561224440.db2.gz GULZPYDFRHMCDZ-GWCFXTLKSA-N -1 3 372.443 2.468 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)n1 ZINC000180978910 547224129 /nfs/dbraw/zinc/22/41/29/547224129.db2.gz CRGFYWQJPYBXLF-UHFFFAOYSA-N -1 3 365.349 2.488 20 5 FEBDHM COc1c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cccc1[N+](=O)[O-] ZINC000483108390 561267475 /nfs/dbraw/zinc/26/74/75/561267475.db2.gz YNKVPMDSZIPOJK-UHFFFAOYSA-N -1 3 368.342 2.398 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nccn1CC(C)C ZINC000182413013 547488444 /nfs/dbraw/zinc/48/84/44/547488444.db2.gz GFFIYJOUCNODTD-UHFFFAOYSA-N -1 3 352.416 2.234 20 5 FEBDHM CNC(=O)c1ccc(OC)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000483951852 561287684 /nfs/dbraw/zinc/28/76/84/561287684.db2.gz FBTRVSRHWRMQAE-UHFFFAOYSA-N -1 3 369.337 2.092 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000486683564 561354248 /nfs/dbraw/zinc/35/42/48/561354248.db2.gz PUBAGABVRSULAW-SECBINFHSA-N -1 3 350.343 2.460 20 5 FEBDHM COCc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[n-]1 ZINC000268495248 550075954 /nfs/dbraw/zinc/07/59/54/550075954.db2.gz PXKPWJNVMRBJTQ-UHFFFAOYSA-N -1 3 357.779 2.244 20 5 FEBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269767345 550224020 /nfs/dbraw/zinc/22/40/20/550224020.db2.gz NICZWXACDAHLQB-ZETCQYMHSA-N -1 3 369.262 2.387 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c1C ZINC000270559611 550283397 /nfs/dbraw/zinc/28/33/97/550283397.db2.gz JFKHUHFRRWRNLW-LLVKDONJSA-N -1 3 367.431 2.493 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000270625130 550290248 /nfs/dbraw/zinc/29/02/48/550290248.db2.gz KWWJGGNEMYENIU-NHYWBVRUSA-N -1 3 372.443 2.475 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271655990 550392831 /nfs/dbraw/zinc/39/28/31/550392831.db2.gz IVUDTIXMHYAXAK-GZMMTYOYSA-N -1 3 374.312 2.022 20 5 FEBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000272099248 550422990 /nfs/dbraw/zinc/42/29/90/550422990.db2.gz LBWWQSLVSGEEKH-JTQLQIEISA-N -1 3 367.308 2.101 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000273158123 550487352 /nfs/dbraw/zinc/48/73/52/550487352.db2.gz NBAOCAVHQNFSRH-LLVKDONJSA-N -1 3 354.384 2.016 20 5 FEBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000276676707 550584244 /nfs/dbraw/zinc/58/42/44/550584244.db2.gz LACHDCUUIFUEJI-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM COC(=O)c1cc(NC([O-])=NO[C@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000277302141 550653824 /nfs/dbraw/zinc/65/38/24/550653824.db2.gz UJYSBLFTTZFOJH-ZDUSSCGKSA-N -1 3 353.331 2.270 20 5 FEBDHM COC(=O)c1cc(NC(=O)[N-]O[C@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000277302141 550653826 /nfs/dbraw/zinc/65/38/26/550653826.db2.gz UJYSBLFTTZFOJH-ZDUSSCGKSA-N -1 3 353.331 2.270 20 5 FEBDHM CCSCCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000281875318 551151824 /nfs/dbraw/zinc/15/18/24/551151824.db2.gz CVUXVRAAGXSEQF-UHFFFAOYSA-N -1 3 352.409 2.164 20 5 FEBDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000497760184 561508189 /nfs/dbraw/zinc/50/81/89/561508189.db2.gz RVRUOPVEQQUUDV-LLVKDONJSA-N -1 3 354.359 2.480 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000497933038 561511640 /nfs/dbraw/zinc/51/16/40/561511640.db2.gz DTMGNYUSXFZPQT-CABZTGNLSA-N -1 3 370.349 2.192 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)cc1C ZINC000285355051 551743114 /nfs/dbraw/zinc/74/31/14/551743114.db2.gz QGFWCSVPEGECML-AWEZNQCLSA-N -1 3 367.431 2.016 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H](O)c1ccccc1 ZINC000288388881 552145430 /nfs/dbraw/zinc/14/54/30/552145430.db2.gz LLDHZEDDRLMHAE-SWLSCSKDSA-N -1 3 350.396 2.304 20 5 FEBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000500106413 561565995 /nfs/dbraw/zinc/56/59/95/561565995.db2.gz PGFKQORRBKMFQG-IJLUTSLNSA-N -1 3 370.427 2.469 20 5 FEBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000293985889 552872896 /nfs/dbraw/zinc/87/28/96/552872896.db2.gz LHQNESNTXXJFLN-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000295770404 553056937 /nfs/dbraw/zinc/05/69/37/553056937.db2.gz WWTKYPSMXLSXER-UHFFFAOYSA-N -1 3 372.399 2.328 20 5 FEBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000296228331 553126110 /nfs/dbraw/zinc/12/61/10/553126110.db2.gz OGBIQJQVBCGMBE-SECBINFHSA-N -1 3 356.322 2.231 20 5 FEBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000296398801 553153114 /nfs/dbraw/zinc/15/31/14/553153114.db2.gz ZJBPAAYYDGRTJJ-SECBINFHSA-N -1 3 370.349 2.301 20 5 FEBDHM CC(F)(F)CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000297179750 553260160 /nfs/dbraw/zinc/26/01/60/553260160.db2.gz SVYUOMPJMMMEFF-UHFFFAOYSA-N -1 3 366.342 2.080 20 5 FEBDHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000299436588 553562706 /nfs/dbraw/zinc/56/27/06/553562706.db2.gz WDRMICSYMJBPIA-UHFFFAOYSA-N -1 3 359.423 2.275 20 5 FEBDHM C[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000301944752 553693636 /nfs/dbraw/zinc/69/36/36/553693636.db2.gz ZNLNVQDUQFDNQQ-VIFPVBQESA-N -1 3 369.424 2.499 20 5 FEBDHM CN1C(=O)Cc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000302864368 553737797 /nfs/dbraw/zinc/73/77/97/553737797.db2.gz SWSMOEZHPWKHTF-UHFFFAOYSA-N -1 3 367.408 2.322 20 5 FEBDHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000319610932 553764354 /nfs/dbraw/zinc/76/43/54/553764354.db2.gz NHJPZKWDOHGDBT-LLVKDONJSA-N -1 3 364.807 2.114 20 5 FEBDHM CC1CCC(O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000321385284 553766533 /nfs/dbraw/zinc/76/65/33/553766533.db2.gz WCOKJXCFFOZREL-UHFFFAOYSA-N -1 3 362.835 2.468 20 5 FEBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000326373528 553780538 /nfs/dbraw/zinc/78/05/38/553780538.db2.gz ZVXWQMJOUKKASI-QWRGUYRKSA-N -1 3 358.416 2.484 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000330421971 554119836 /nfs/dbraw/zinc/11/98/36/554119836.db2.gz QLFXJMAXPNXNGC-AWEZNQCLSA-N -1 3 355.460 2.302 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000330956218 554194151 /nfs/dbraw/zinc/19/41/51/554194151.db2.gz NEZHMDPFNNEETJ-COPLHBTASA-N -1 3 370.427 2.484 20 5 FEBDHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331232366 554233998 /nfs/dbraw/zinc/23/39/98/554233998.db2.gz RDBFRCFQRWGLPE-NSHDSACASA-N -1 3 361.851 2.399 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502474 554275415 /nfs/dbraw/zinc/27/54/15/554275415.db2.gz LWDITHTWCIHCMV-SKDRFNHKSA-N -1 3 359.835 2.009 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000332414704 554442371 /nfs/dbraw/zinc/44/23/71/554442371.db2.gz BCHUARAVUOFGRD-ZFWWWQNUSA-N -1 3 358.416 2.085 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn3ccccc23)c(Cl)c1 ZINC000511327837 561865460 /nfs/dbraw/zinc/86/54/60/561865460.db2.gz VDTFZPLZSSRHFZ-UHFFFAOYSA-N -1 3 366.786 2.374 20 5 FEBDHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000511376463 561867275 /nfs/dbraw/zinc/86/72/75/561867275.db2.gz GXILPDCKIKUCEQ-UHFFFAOYSA-N -1 3 373.337 2.069 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)c1C ZINC000363804589 555189549 /nfs/dbraw/zinc/18/95/49/555189549.db2.gz YCIKDWLTLXHQRC-UHFFFAOYSA-N -1 3 354.428 2.449 20 5 FEBDHM COc1cc(CNCCn2cc(Br)cn2)c([N+](=O)[O-])cc1[O-] ZINC000512977104 561921603 /nfs/dbraw/zinc/92/16/03/561921603.db2.gz GJEFNEMLRYIPRV-UHFFFAOYSA-N -1 3 371.191 2.058 20 5 FEBDHM Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367393782 556036727 /nfs/dbraw/zinc/03/67/27/556036727.db2.gz GUGWXGDEDHAZMP-LLVKDONJSA-N -1 3 361.358 2.488 20 5 FEBDHM CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)N(C)C)cc1 ZINC000514980603 561989886 /nfs/dbraw/zinc/98/98/86/561989886.db2.gz FIXICVSMYYXACD-MRXNPFEDSA-N -1 3 358.398 2.291 20 5 FEBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCN(c2ccncc2)CC1 ZINC000371612725 557239460 /nfs/dbraw/zinc/23/94/60/557239460.db2.gz WBIZTMSVCZFQTD-UHFFFAOYSA-N -1 3 356.382 2.436 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000371734555 557278741 /nfs/dbraw/zinc/27/87/41/557278741.db2.gz OEOVZVASELZDGL-LLVKDONJSA-N -1 3 368.342 2.155 20 5 FEBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000373106720 557630027 /nfs/dbraw/zinc/63/00/27/557630027.db2.gz LZSXVUNOHURADN-OAHLLOKOSA-N -1 3 356.382 2.042 20 5 FEBDHM CC(C)c1nccn1C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000376117948 558129050 /nfs/dbraw/zinc/12/90/50/558129050.db2.gz TVENNZWBWIJWNN-ZDUSSCGKSA-N -1 3 359.386 2.320 20 5 FEBDHM CCCCn1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000522042130 562189988 /nfs/dbraw/zinc/18/99/88/562189988.db2.gz JKBPWQAMPYAZAR-UHFFFAOYSA-N -1 3 352.416 2.378 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000392675311 558618406 /nfs/dbraw/zinc/61/84/06/558618406.db2.gz NNNJXBKEFUHOBI-CYBMUJFWSA-N -1 3 358.416 2.239 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000416394805 559309856 /nfs/dbraw/zinc/30/98/56/559309856.db2.gz VKRCUISEWIBMHZ-JTQLQIEISA-N -1 3 368.333 2.461 20 5 FEBDHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416421467 559311875 /nfs/dbraw/zinc/31/18/75/559311875.db2.gz CNGXNYIOHKHOME-QMMMGPOBSA-N -1 3 356.322 2.053 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@]1(C)C(C)C ZINC000416547521 559321060 /nfs/dbraw/zinc/32/10/60/559321060.db2.gz LWWHRWHRVMETKN-DZGCQCFKSA-N -1 3 356.400 2.094 20 5 FEBDHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416549529 559321096 /nfs/dbraw/zinc/32/10/96/559321096.db2.gz OXAHIBLVLSNIFY-LSDHHAIUSA-N -1 3 356.400 2.079 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)c([N+](=O)[O-])c1 ZINC000420758701 559502814 /nfs/dbraw/zinc/50/28/14/559502814.db2.gz GWCUFYQKXPFYFW-UHFFFAOYSA-N -1 3 367.431 2.289 20 5 FEBDHM COC(=O)[C@H]1CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc2C1 ZINC000421629410 559547332 /nfs/dbraw/zinc/54/73/32/559547332.db2.gz FFUZSINPQNCGHD-ZETCQYMHSA-N -1 3 351.340 2.175 20 5 FEBDHM Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000427148761 559749061 /nfs/dbraw/zinc/74/90/61/559749061.db2.gz ZVBLOZFVIHGPBE-GFCCVEGCSA-N -1 3 357.366 2.216 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nccn1-c1ccccc1 ZINC000429336924 559796370 /nfs/dbraw/zinc/79/63/70/559796370.db2.gz WYDFFDUMVHWUCH-UHFFFAOYSA-N -1 3 358.379 2.259 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000432662397 559862841 /nfs/dbraw/zinc/86/28/41/559862841.db2.gz ZNKCDDANQBEBLL-UHFFFAOYSA-N -1 3 350.356 2.144 20 5 FEBDHM O=C(Nc1cccc([O-])c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000436458697 559941952 /nfs/dbraw/zinc/94/19/52/559941952.db2.gz PWDURGVHJQVLKL-UHFFFAOYSA-N -1 3 355.306 2.206 20 5 FEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000436473469 559942200 /nfs/dbraw/zinc/94/22/00/559942200.db2.gz AXPFBVXENRBFGV-UHFFFAOYSA-N -1 3 363.330 2.320 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000436717063 559949823 /nfs/dbraw/zinc/94/98/23/559949823.db2.gz VYRKSEWSSUEYOL-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000441544071 560035530 /nfs/dbraw/zinc/03/55/30/560035530.db2.gz JSEDWDYVGPVVCW-UHFFFAOYSA-N -1 3 371.802 2.173 20 5 FEBDHM Cn1c(=O)[nH]c2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000443176712 560073704 /nfs/dbraw/zinc/07/37/04/560073704.db2.gz VMVNRGWPAKWFRU-UHFFFAOYSA-N -1 3 352.310 2.316 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000443263529 560076772 /nfs/dbraw/zinc/07/67/72/560076772.db2.gz AVAAZVOLSRAQNG-UHFFFAOYSA-N -1 3 366.395 2.220 20 5 FEBDHM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c([O-])c1 ZINC000443558201 560087271 /nfs/dbraw/zinc/08/72/71/560087271.db2.gz KYAWQSZJAVDQEY-UHFFFAOYSA-N -1 3 373.365 2.398 20 5 FEBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000445140350 560129633 /nfs/dbraw/zinc/12/96/33/560129633.db2.gz SHJTVCAUXUMWGL-KGLIPLIRSA-N -1 3 370.409 2.430 20 5 FEBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000451826828 560331066 /nfs/dbraw/zinc/33/10/66/560331066.db2.gz PMKOXFCYRMPEGS-INIZCTEOSA-N -1 3 350.396 2.435 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c(C(F)(F)F)c1 ZINC000452044514 560347474 /nfs/dbraw/zinc/34/74/74/560347474.db2.gz JAPULRGJKRWYOR-NSHDSACASA-N -1 3 368.333 2.053 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461793300 560783984 /nfs/dbraw/zinc/78/39/84/560783984.db2.gz DBZWNEHYGIPSAF-AWEZNQCLSA-N -1 3 356.444 2.370 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000461799328 560784591 /nfs/dbraw/zinc/78/45/91/560784591.db2.gz YJKKCSXBDZDCPN-GFCCVEGCSA-N -1 3 362.473 2.432 20 5 FEBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000463684188 560821366 /nfs/dbraw/zinc/82/13/66/560821366.db2.gz OEIKZSJLUFDOKZ-UHFFFAOYSA-N -1 3 364.408 2.386 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c(F)c1 ZINC000466526844 560888998 /nfs/dbraw/zinc/88/89/98/560888998.db2.gz DHYMVVOUOXXHRV-LBPRGKRZSA-N -1 3 356.306 2.285 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000466587739 560890721 /nfs/dbraw/zinc/89/07/21/560890721.db2.gz RKIPQWPHCJFDIA-CABCVRRESA-N -1 3 358.391 2.217 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000466724396 560893774 /nfs/dbraw/zinc/89/37/74/560893774.db2.gz HFEWMTOMBZXJOF-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000467403293 560909434 /nfs/dbraw/zinc/90/94/34/560909434.db2.gz HKOWZOQEIBGDCV-UHFFFAOYSA-N -1 3 362.429 2.119 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000467403261 560909482 /nfs/dbraw/zinc/90/94/82/560909482.db2.gz VLYHSZMVXFJYJT-UHFFFAOYSA-N -1 3 372.424 2.460 20 5 FEBDHM C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CN1Cc1ccccc1 ZINC000467692583 560914879 /nfs/dbraw/zinc/91/48/79/560914879.db2.gz UFVKASSTOJLVEU-GXTWGEPZSA-N -1 3 356.382 2.088 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000468872211 560940944 /nfs/dbraw/zinc/94/09/44/560940944.db2.gz GYPNRVMZDFJYJJ-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM CCCN(CCC)S(=O)(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000530628795 562418330 /nfs/dbraw/zinc/41/83/30/562418330.db2.gz DPMUXSHGMXVAKT-UHFFFAOYSA-N -1 3 359.404 2.160 20 5 FEBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000533094862 562498205 /nfs/dbraw/zinc/49/82/05/562498205.db2.gz PMPFZNLCSAMJIB-AWEZNQCLSA-N -1 3 354.359 2.054 20 5 FEBDHM COc1cccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821873793 599063028 /nfs/dbraw/zinc/06/30/28/599063028.db2.gz YNCRMJWUIOBTNW-JTQLQIEISA-N -1 3 371.357 2.058 20 5 FEBDHM COc1cccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821873793 599063031 /nfs/dbraw/zinc/06/30/31/599063031.db2.gz YNCRMJWUIOBTNW-JTQLQIEISA-N -1 3 371.357 2.058 20 5 FEBDHM C[S@](=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737173896 599063922 /nfs/dbraw/zinc/06/39/22/599063922.db2.gz QPUCWZHEGRMYMM-VWLOTQADSA-N -1 3 358.383 2.397 20 5 FEBDHM C[S@](=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737173896 599063925 /nfs/dbraw/zinc/06/39/25/599063925.db2.gz QPUCWZHEGRMYMM-VWLOTQADSA-N -1 3 358.383 2.397 20 5 FEBDHM COc1ccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821837752 599074981 /nfs/dbraw/zinc/07/49/81/599074981.db2.gz GYWUYOCXVBPLPW-JTQLQIEISA-N -1 3 371.357 2.058 20 5 FEBDHM COc1ccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821837752 599074984 /nfs/dbraw/zinc/07/49/84/599074984.db2.gz GYWUYOCXVBPLPW-JTQLQIEISA-N -1 3 371.357 2.058 20 5 FEBDHM COc1cc(C)c(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000821708564 599141757 /nfs/dbraw/zinc/14/17/57/599141757.db2.gz SRENHTXGCIOFOA-UHFFFAOYSA-N -1 3 357.330 2.239 20 5 FEBDHM COc1cc(C)c(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000821708564 599141759 /nfs/dbraw/zinc/14/17/59/599141759.db2.gz SRENHTXGCIOFOA-UHFFFAOYSA-N -1 3 357.330 2.239 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000738373865 599231952 /nfs/dbraw/zinc/23/19/52/599231952.db2.gz IQYJXNIBBASQJC-LLVKDONJSA-N -1 3 351.370 2.387 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000738373865 599231954 /nfs/dbraw/zinc/23/19/54/599231954.db2.gz IQYJXNIBBASQJC-LLVKDONJSA-N -1 3 351.370 2.387 20 5 FEBDHM CCN(CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(C)c1 ZINC000821215158 599235875 /nfs/dbraw/zinc/23/58/75/599235875.db2.gz OPDOOHFLPSBZAM-UHFFFAOYSA-N -1 3 368.401 2.417 20 5 FEBDHM CCN(CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(C)c1 ZINC000821215158 599235877 /nfs/dbraw/zinc/23/58/77/599235877.db2.gz OPDOOHFLPSBZAM-UHFFFAOYSA-N -1 3 368.401 2.417 20 5 FEBDHM Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822077790 607270973 /nfs/dbraw/zinc/27/09/73/607270973.db2.gz YBQIZVROHLPTKZ-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822077790 607270974 /nfs/dbraw/zinc/27/09/74/607270974.db2.gz YBQIZVROHLPTKZ-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000823651508 607307556 /nfs/dbraw/zinc/30/75/56/607307556.db2.gz MPRYECZPPGNZKS-UHFFFAOYSA-N -1 3 355.362 2.094 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000823651508 607307557 /nfs/dbraw/zinc/30/75/57/607307557.db2.gz MPRYECZPPGNZKS-UHFFFAOYSA-N -1 3 355.362 2.094 20 5 FEBDHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737511246 598339473 /nfs/dbraw/zinc/33/94/73/598339473.db2.gz QMDHQWTUWJDVIY-HNNXBMFYSA-N -1 3 368.401 2.467 20 5 FEBDHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737511246 598339476 /nfs/dbraw/zinc/33/94/76/598339476.db2.gz QMDHQWTUWJDVIY-HNNXBMFYSA-N -1 3 368.401 2.467 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1csc([N+](=O)[O-])c1 ZINC000738318037 598379336 /nfs/dbraw/zinc/37/93/36/598379336.db2.gz IFHFQVZXIVOAIV-WZUFQYTHSA-N -1 3 368.334 2.181 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1csc([N+](=O)[O-])c1 ZINC000738318037 598379337 /nfs/dbraw/zinc/37/93/37/598379337.db2.gz IFHFQVZXIVOAIV-WZUFQYTHSA-N -1 3 368.334 2.181 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000738367594 598594674 /nfs/dbraw/zinc/59/46/74/598594674.db2.gz WDDSNWYKNZZVMH-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000738367594 598594677 /nfs/dbraw/zinc/59/46/77/598594677.db2.gz WDDSNWYKNZZVMH-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1ccc(F)cc1 ZINC000736136182 598678819 /nfs/dbraw/zinc/67/88/19/598678819.db2.gz DPESXZBHWAKCRZ-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1ccc(F)cc1 ZINC000736136182 598678821 /nfs/dbraw/zinc/67/88/21/598678821.db2.gz DPESXZBHWAKCRZ-VFZGTOFNSA-N -1 3 358.333 2.448 20 5 FEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737897576 598779866 /nfs/dbraw/zinc/77/98/66/598779866.db2.gz AGJSWGVQFVGWLN-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC(C)(C)O1 ZINC000820769113 599495237 /nfs/dbraw/zinc/49/52/37/599495237.db2.gz RGIAEAQRQSMRQH-SNVBAGLBSA-N -1 3 369.385 2.327 20 5 FEBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC(C)(C)O1 ZINC000820769113 599495239 /nfs/dbraw/zinc/49/52/39/599495239.db2.gz RGIAEAQRQSMRQH-SNVBAGLBSA-N -1 3 369.385 2.327 20 5 FEBDHM C[C@@H]1CSCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820813221 599565911 /nfs/dbraw/zinc/56/59/11/599565911.db2.gz BJLRTLGZHITRIV-SECBINFHSA-N -1 3 357.399 2.265 20 5 FEBDHM C[C@@H]1CSCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820813221 599565912 /nfs/dbraw/zinc/56/59/12/599565912.db2.gz BJLRTLGZHITRIV-SECBINFHSA-N -1 3 357.399 2.265 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000821745439 607414014 /nfs/dbraw/zinc/41/40/14/607414014.db2.gz WJIXRPZGPFYIJE-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000821745439 607414015 /nfs/dbraw/zinc/41/40/15/607414015.db2.gz WJIXRPZGPFYIJE-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM Cc1ncccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826330502 607525095 /nfs/dbraw/zinc/52/50/95/607525095.db2.gz XFDZOJPCKZRASL-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ncccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826330502 607525097 /nfs/dbraw/zinc/52/50/97/607525097.db2.gz XFDZOJPCKZRASL-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM COc1ccc(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826206401 607596292 /nfs/dbraw/zinc/59/62/92/607596292.db2.gz RDTJKSOTNYVNMN-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826206401 607596294 /nfs/dbraw/zinc/59/62/94/607596294.db2.gz RDTJKSOTNYVNMN-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837392 674515241 /nfs/dbraw/zinc/51/52/41/674515241.db2.gz ZFFRCPDLIKNISM-VIFPVBQESA-N -1 3 367.830 2.396 20 5 FEBDHM C[C@H](O)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698463 607737888 /nfs/dbraw/zinc/73/78/88/607737888.db2.gz LETVPWHJCGTZPR-WDEREUQCSA-N -1 3 369.385 2.063 20 5 FEBDHM C[C@H](O)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824698463 607737889 /nfs/dbraw/zinc/73/78/89/607737889.db2.gz LETVPWHJCGTZPR-WDEREUQCSA-N -1 3 369.385 2.063 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446863 606105056 /nfs/dbraw/zinc/10/50/56/606105056.db2.gz DTTBVHDULFYZOL-PVMIVPEOSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446863 606105058 /nfs/dbraw/zinc/10/50/58/606105058.db2.gz DTTBVHDULFYZOL-PVMIVPEOSA-N -1 3 364.431 2.267 20 5 FEBDHM C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495297 606349295 /nfs/dbraw/zinc/34/92/95/606349295.db2.gz GVUDYHKCMWJTOX-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495297 606349296 /nfs/dbraw/zinc/34/92/96/606349296.db2.gz GVUDYHKCMWJTOX-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387461 606810116 /nfs/dbraw/zinc/81/01/16/606810116.db2.gz KVSMKSCMVBGUMV-UHFFFAOYSA-N -1 3 371.382 2.363 20 5 FEBDHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387461 606810118 /nfs/dbraw/zinc/81/01/18/606810118.db2.gz KVSMKSCMVBGUMV-UHFFFAOYSA-N -1 3 371.382 2.363 20 5 FEBDHM C[C@H](O)C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473707 607046167 /nfs/dbraw/zinc/04/61/67/607046167.db2.gz JYCQCDUIDHKINV-AAEUAGOBSA-N -1 3 369.385 2.137 20 5 FEBDHM C[C@H](O)C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473707 607046168 /nfs/dbraw/zinc/04/61/68/607046168.db2.gz JYCQCDUIDHKINV-AAEUAGOBSA-N -1 3 369.385 2.137 20 5 FEBDHM COc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821772848 607073631 /nfs/dbraw/zinc/07/36/31/607073631.db2.gz SHGXYGFDAFBYQT-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821772848 607073634 /nfs/dbraw/zinc/07/36/34/607073634.db2.gz SHGXYGFDAFBYQT-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CCc1nn(C)c(CC)c1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825759639 607850479 /nfs/dbraw/zinc/85/04/79/607850479.db2.gz LRGCMMBYZMGFJQ-UHFFFAOYSA-N -1 3 356.390 2.245 20 5 FEBDHM CCc1nn(C)c(CC)c1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825759639 607850480 /nfs/dbraw/zinc/85/04/80/607850480.db2.gz LRGCMMBYZMGFJQ-UHFFFAOYSA-N -1 3 356.390 2.245 20 5 FEBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825609015 607871609 /nfs/dbraw/zinc/87/16/09/607871609.db2.gz HVYCTHMHSFYMHV-CQSZACIVSA-N -1 3 371.353 2.286 20 5 FEBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825609015 607871610 /nfs/dbraw/zinc/87/16/10/607871610.db2.gz HVYCTHMHSFYMHV-CQSZACIVSA-N -1 3 371.353 2.286 20 5 FEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826272364 608052257 /nfs/dbraw/zinc/05/22/57/608052257.db2.gz FZHZRQBCLIYJRN-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826272364 608052258 /nfs/dbraw/zinc/05/22/58/608052258.db2.gz FZHZRQBCLIYJRN-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM COC[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826148621 608163205 /nfs/dbraw/zinc/16/32/05/608163205.db2.gz MSBOJLRJGLZOJN-ZETCQYMHSA-N -1 3 354.754 2.039 20 5 FEBDHM COC[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826148621 608163206 /nfs/dbraw/zinc/16/32/06/608163206.db2.gz MSBOJLRJGLZOJN-ZETCQYMHSA-N -1 3 354.754 2.039 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nnn[n-]2)c1F ZINC000826414048 608445302 /nfs/dbraw/zinc/44/53/02/608445302.db2.gz BUODFBMBWPKKHV-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nn[n-]n2)c1F ZINC000826414048 608445303 /nfs/dbraw/zinc/44/53/03/608445303.db2.gz BUODFBMBWPKKHV-UHFFFAOYSA-N -1 3 372.316 2.069 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423460 608449929 /nfs/dbraw/zinc/44/99/29/608449929.db2.gz PZHAGBOLVMMZEZ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423460 608449931 /nfs/dbraw/zinc/44/99/31/608449931.db2.gz PZHAGBOLVMMZEZ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824523311 608568202 /nfs/dbraw/zinc/56/82/02/608568202.db2.gz ZJCGBIOYGUPEIY-MRVPVSSYSA-N -1 3 373.760 2.314 20 5 FEBDHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824523311 608568203 /nfs/dbraw/zinc/56/82/03/608568203.db2.gz ZJCGBIOYGUPEIY-MRVPVSSYSA-N -1 3 373.760 2.314 20 5 FEBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1[C@@H](C)O ZINC000826326129 608667713 /nfs/dbraw/zinc/66/77/13/608667713.db2.gz BKVIXSLOUASVHM-SNVBAGLBSA-N -1 3 355.358 2.144 20 5 FEBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1[C@@H](C)O ZINC000826326129 608667715 /nfs/dbraw/zinc/66/77/15/608667715.db2.gz BKVIXSLOUASVHM-SNVBAGLBSA-N -1 3 355.358 2.144 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cn1 ZINC000826499040 609166822 /nfs/dbraw/zinc/16/68/22/609166822.db2.gz STPNXIBSYCRVRR-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cn1 ZINC000826499040 609166823 /nfs/dbraw/zinc/16/68/23/609166823.db2.gz STPNXIBSYCRVRR-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM COc1cc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826180221 609466965 /nfs/dbraw/zinc/46/69/65/609466965.db2.gz YEXJQXBMPVHNTK-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1cc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826180221 609466968 /nfs/dbraw/zinc/46/69/68/609466968.db2.gz YEXJQXBMPVHNTK-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM O=c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c[nH]1 ZINC000811725301 674623190 /nfs/dbraw/zinc/62/31/90/674623190.db2.gz OWYFJLLVELJZSG-UHFFFAOYSA-N -1 3 374.172 2.259 20 5 FEBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000813258352 674732326 /nfs/dbraw/zinc/73/23/26/674732326.db2.gz KFLNBPOEQZAQTD-UHFFFAOYSA-N -1 3 362.689 2.451 20 5 FEBDHM Nc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] ZINC000044255307 670188291 /nfs/dbraw/zinc/18/82/91/670188291.db2.gz QBLQSAKCOAFUCL-UHFFFAOYSA-N -1 3 361.335 2.084 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000056088534 670358485 /nfs/dbraw/zinc/35/84/85/670358485.db2.gz PRYVAKQDBJQSLA-UHFFFAOYSA-N -1 3 355.303 2.121 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c(F)c1 ZINC000609767801 675935645 /nfs/dbraw/zinc/93/56/45/675935645.db2.gz QTISCKAWQXSZKX-UHFFFAOYSA-N -1 3 350.371 2.427 20 5 FEBDHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000584467380 672190855 /nfs/dbraw/zinc/19/08/55/672190855.db2.gz JWGKCVFGRIEAPN-IUODEOHRSA-N -1 3 372.443 2.035 20 5 FEBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891247 676003964 /nfs/dbraw/zinc/00/39/64/676003964.db2.gz DQIDAKDKNQZHHL-UHFFFAOYSA-N -1 3 365.455 2.392 20 5 FEBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173176204 672348471 /nfs/dbraw/zinc/34/84/71/672348471.db2.gz BRMUNMWIMOUQRN-SSDOTTSWSA-N -1 3 369.262 2.387 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000175692320 672370046 /nfs/dbraw/zinc/37/00/46/672370046.db2.gz ZTAWANGPWYJETJ-UHFFFAOYSA-N -1 3 367.358 2.203 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)COCc1ccccc1 ZINC000593535781 672936688 /nfs/dbraw/zinc/93/66/88/672936688.db2.gz OYEFZDKHEUPIOE-CYBMUJFWSA-N -1 3 365.411 2.121 20 5 FEBDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593538981 672937335 /nfs/dbraw/zinc/93/73/35/672937335.db2.gz AAZRSVSQNPKJRS-UHFFFAOYSA-N -1 3 351.384 2.046 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000593546632 672939138 /nfs/dbraw/zinc/93/91/38/672939138.db2.gz IAJGYQSFPBUUPP-UHFFFAOYSA-N -1 3 353.375 2.385 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c(F)c1 ZINC000594474755 673081188 /nfs/dbraw/zinc/08/11/88/673081188.db2.gz RYDXYVBNQQIYCW-HIFRSBDPSA-N -1 3 358.391 2.360 20 5 FEBDHM CC(C)CO[C@H](C)c1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596145235 673363070 /nfs/dbraw/zinc/36/30/70/673363070.db2.gz MSIGATRMQCLCIO-SNVBAGLBSA-N -1 3 351.363 2.448 20 5 FEBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000538004041 673416668 /nfs/dbraw/zinc/41/66/68/673416668.db2.gz HJBUGQGGHFJIEH-UHFFFAOYSA-N -1 3 370.383 2.034 20 5 FEBDHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000598736466 673605227 /nfs/dbraw/zinc/60/52/27/673605227.db2.gz WZWUPJXWAGKPGY-LBPRGKRZSA-N -1 3 350.400 2.350 20 5 FEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000822658950 675498920 /nfs/dbraw/zinc/49/89/20/675498920.db2.gz BAYSEGFAOOLZQY-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000822658950 675498921 /nfs/dbraw/zinc/49/89/21/675498921.db2.gz BAYSEGFAOOLZQY-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000770496622 681018061 /nfs/dbraw/zinc/01/80/61/681018061.db2.gz IMSMQVKXPBIMPD-MFKMUULPSA-N -1 3 358.416 2.163 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000845923963 681162695 /nfs/dbraw/zinc/16/26/95/681162695.db2.gz YZTSZCYVWNLDHE-JKSUJKDBSA-N -1 3 365.411 2.026 20 5 FEBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000845926445 681162986 /nfs/dbraw/zinc/16/29/86/681162986.db2.gz ZTQZRTHQHRATBB-GDBMZVCRSA-N -1 3 365.411 2.170 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581957 681582914 /nfs/dbraw/zinc/58/29/14/681582914.db2.gz TUIIBIOXQXPHON-SECBINFHSA-N -1 3 354.313 2.486 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000849424493 681729203 /nfs/dbraw/zinc/72/92/03/681729203.db2.gz SPUXRKQDIKCHCA-RKDXNWHRSA-N -1 3 371.806 2.132 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c(C)o1 ZINC000781468609 681938329 /nfs/dbraw/zinc/93/83/29/681938329.db2.gz AWAZUWJUWYSNJS-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CN(C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000853272217 682400899 /nfs/dbraw/zinc/40/08/99/682400899.db2.gz LEMPMEQQTOZTIS-NSHDSACASA-N -1 3 352.391 2.389 20 5 FEBDHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853575492 682437966 /nfs/dbraw/zinc/43/79/66/682437966.db2.gz GMIPPQJQOAHMPG-INIZCTEOSA-N -1 3 352.391 2.437 20 5 FEBDHM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cccc1[N+](=O)[O-] ZINC000790888804 682710427 /nfs/dbraw/zinc/71/04/27/682710427.db2.gz GDKFTJPQOQARLE-UHFFFAOYSA-N -1 3 369.330 2.429 20 5 FEBDHM CCOC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000859319178 683082765 /nfs/dbraw/zinc/08/27/65/683082765.db2.gz QHRBOJSKKSYGBU-SNVBAGLBSA-N -1 3 374.802 2.178 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)c(F)c1 ZINC000921853601 683593528 /nfs/dbraw/zinc/59/35/28/683593528.db2.gz IRAIPFIANYYDOL-NHYWBVRUSA-N -1 3 358.391 2.217 20 5 FEBDHM COc1c([O-])ccc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892245859 689169687 /nfs/dbraw/zinc/16/96/87/689169687.db2.gz CYDCYGFRVVHSRP-JTQLQIEISA-N -1 3 363.336 2.377 20 5 FEBDHM COc1c([O-])ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000894404563 689525533 /nfs/dbraw/zinc/52/55/33/689525533.db2.gz FUUHOSJJPSRXDR-KWQFWETISA-N -1 3 350.293 2.461 20 5 FEBDHM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000024476454 539732770 /nfs/dbraw/zinc/73/27/70/539732770.db2.gz OVHPCCZNKJSRKY-UHFFFAOYSA-N -1 3 374.415 2.005 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000027597917 539811879 /nfs/dbraw/zinc/81/18/79/539811879.db2.gz IIHLLUMNYVDCRR-UHFFFAOYSA-N -1 3 369.786 2.456 20 5 FEBDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000028321049 539829719 /nfs/dbraw/zinc/82/97/19/539829719.db2.gz GSDROEUOJNLMET-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000041835502 540035554 /nfs/dbraw/zinc/03/55/54/540035554.db2.gz OAQNOWJZIYTVLS-UHFFFAOYSA-N -1 3 352.350 2.278 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC000046036746 540238564 /nfs/dbraw/zinc/23/85/64/540238564.db2.gz NCUOJUUAZRRDOM-TZMCWYRMSA-N -1 3 372.443 2.477 20 5 FEBDHM O=c1[n-]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc2ccsc21 ZINC000052844503 540493612 /nfs/dbraw/zinc/49/36/12/540493612.db2.gz JTENHIAZRWMWDA-UHFFFAOYSA-N -1 3 371.422 2.215 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c(Cl)c1 ZINC000055973335 540691699 /nfs/dbraw/zinc/69/16/99/540691699.db2.gz VSNLMQWJPMIWIV-UHFFFAOYSA-N -1 3 366.786 2.374 20 5 FEBDHM C[C@@]1(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCC(=O)N1 ZINC000537753570 540770700 /nfs/dbraw/zinc/77/07/00/540770700.db2.gz YFNJFIYMSIOPHF-QGZVFWFLSA-N -1 3 357.370 2.372 20 5 FEBDHM COCc1cccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000108414777 209287575 /nfs/dbraw/zinc/28/75/75/209287575.db2.gz DBIHCKQQMABINI-UHFFFAOYSA-N -1 3 366.395 2.228 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000072989717 541904459 /nfs/dbraw/zinc/90/44/59/541904459.db2.gz PQEUGBUGHRWWOD-MRXNPFEDSA-N -1 3 363.439 2.484 20 5 FEBDHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997031 543001897 /nfs/dbraw/zinc/00/18/97/543001897.db2.gz UAXKATCGCSEHJC-LBPRGKRZSA-N -1 3 359.423 2.277 20 5 FEBDHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997030 543001915 /nfs/dbraw/zinc/00/19/15/543001915.db2.gz UAXKATCGCSEHJC-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nncn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000117990424 543643321 /nfs/dbraw/zinc/64/33/21/543643321.db2.gz SLXBTUXARHLXEC-UHFFFAOYSA-N -1 3 355.358 2.163 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCN1 ZINC000123410314 543760126 /nfs/dbraw/zinc/76/01/26/543760126.db2.gz RBMAEPIIOFBPQE-SECBINFHSA-N -1 3 368.242 2.322 20 5 FEBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129139998 544093045 /nfs/dbraw/zinc/09/30/45/544093045.db2.gz XMNNIVFNYARRPB-SSDOTTSWSA-N -1 3 369.262 2.387 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]3OCC[C@@H]32)c(Cl)c1 ZINC000129253903 544100172 /nfs/dbraw/zinc/10/01/72/544100172.db2.gz BGHUMZRDSLSDFG-KGYLQXTDSA-N -1 3 360.819 2.484 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000179028210 327621707 /nfs/dbraw/zinc/62/17/07/327621707.db2.gz GXOIRTPAJZJHPC-SECBINFHSA-N -1 3 368.333 2.319 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000186236063 327953228 /nfs/dbraw/zinc/95/32/28/327953228.db2.gz PXDWEPAIVZJIHK-SECBINFHSA-N -1 3 355.347 2.177 20 5 FEBDHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188133027 328068491 /nfs/dbraw/zinc/06/84/91/328068491.db2.gz KLWIQYKMEPXKNH-QWRGUYRKSA-N -1 3 368.333 2.051 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)n1 ZINC000190370859 328203649 /nfs/dbraw/zinc/20/36/49/328203649.db2.gz QAQGDSPHVAUEAY-UHFFFAOYSA-N -1 3 365.349 2.488 20 5 FEBDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000191043979 328247145 /nfs/dbraw/zinc/24/71/45/328247145.db2.gz JFCILZWQBHNASJ-WPRPVWTQSA-N -1 3 368.333 2.459 20 5 FEBDHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000193813281 328396816 /nfs/dbraw/zinc/39/68/16/328396816.db2.gz LNVRAZOJEIXRHT-UHFFFAOYSA-N -1 3 371.459 2.139 20 5 FEBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000053671746 324747199 /nfs/dbraw/zinc/74/71/99/324747199.db2.gz IOUORDDJHVAUKI-UHFFFAOYSA-N -1 3 369.786 2.165 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 ZINC000097271775 325460198 /nfs/dbraw/zinc/46/01/98/325460198.db2.gz UHMLBDWGSRPDKY-DZGCQCFKSA-N -1 3 368.798 2.185 20 5 FEBDHM CCc1nc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000102413447 325492741 /nfs/dbraw/zinc/49/27/41/325492741.db2.gz HPWBBSPREBMPCE-UHFFFAOYSA-N -1 3 371.440 2.143 20 5 FEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000116907561 326041689 /nfs/dbraw/zinc/04/16/89/326041689.db2.gz LBWIRACGDPXPIP-GFCCVEGCSA-N -1 3 367.402 2.363 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nccn2C(F)F)c1C ZINC000121024252 326307552 /nfs/dbraw/zinc/30/75/52/326307552.db2.gz DHUUKTOBBDOFMA-UHFFFAOYSA-N -1 3 360.342 2.282 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121474679 326341632 /nfs/dbraw/zinc/34/16/32/326341632.db2.gz SPOFELKCZCBYNL-CQSZACIVSA-N -1 3 350.396 2.305 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCCCC1 ZINC000123744774 326441591 /nfs/dbraw/zinc/44/15/91/326441591.db2.gz KUOFQRLTYHNAIU-GFCCVEGCSA-N -1 3 359.423 2.134 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124665895 326457949 /nfs/dbraw/zinc/45/79/49/326457949.db2.gz AYLCHAQVQMJAFX-MRVPVSSYSA-N -1 3 372.472 2.225 20 5 FEBDHM Cc1c(CC(=O)NCCCNC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000133588464 326611392 /nfs/dbraw/zinc/61/13/92/326611392.db2.gz CFDQPZWDGIRPLG-UHFFFAOYSA-N -1 3 371.393 2.088 20 5 FEBDHM O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCc2cccc([O-])c21 ZINC000155616216 326796323 /nfs/dbraw/zinc/79/63/23/326796323.db2.gz ZRYDQSLHCDADIH-UHFFFAOYSA-N -1 3 365.349 2.474 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2O)c(Cl)c1 ZINC000159661656 326938283 /nfs/dbraw/zinc/93/82/83/326938283.db2.gz SSAXPGQFNUGSRF-UHFFFAOYSA-N -1 3 356.787 2.475 20 5 FEBDHM Cc1nc(C)c(CCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(=O)[n-]1 ZINC000161904864 327011954 /nfs/dbraw/zinc/01/19/54/327011954.db2.gz GAEWVNFVLIPVFO-UHFFFAOYSA-N -1 3 356.382 2.207 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)c1C ZINC000163944025 327061599 /nfs/dbraw/zinc/06/15/99/327061599.db2.gz OVHWIIJDGNTWDK-UHFFFAOYSA-N -1 3 351.384 2.020 20 5 FEBDHM O=C([N-]c1cc(-n2nnnc2C2CC2)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000173157129 327238107 /nfs/dbraw/zinc/23/81/07/327238107.db2.gz YKBHKFHKROYTFB-UHFFFAOYSA-N -1 3 358.289 2.432 20 5 FEBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000173812938 327286065 /nfs/dbraw/zinc/28/60/65/327286065.db2.gz KECCIGCBIWTRGR-UHFFFAOYSA-N -1 3 357.413 2.101 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000175304249 327385932 /nfs/dbraw/zinc/38/59/32/327385932.db2.gz LVBSRGKVIIOKHC-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM O=C(c1ccc([O-])cc1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177178390 327503656 /nfs/dbraw/zinc/50/36/56/327503656.db2.gz ABXDGSAXGXNKOZ-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000264117101 328992899 /nfs/dbraw/zinc/99/28/99/328992899.db2.gz RDUOUWSQXDBDEY-AWEZNQCLSA-N -1 3 366.395 2.269 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(CC)c(C(=O)OC)s2)c1[N+](=O)[O-] ZINC000269739523 329544959 /nfs/dbraw/zinc/54/49/59/329544959.db2.gz ZSJRIJFJFZNGEM-UHFFFAOYSA-N -1 3 367.387 2.328 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1([C@H](C)CCO)CCC1 ZINC000271747930 329721692 /nfs/dbraw/zinc/72/16/92/329721692.db2.gz BGBSKQRSNPBSTK-GFCCVEGCSA-N -1 3 372.443 2.071 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)SC)cc1[N+](=O)[O-] ZINC000275075249 330007739 /nfs/dbraw/zinc/00/77/39/330007739.db2.gz LWAOKSWNWQXOOZ-UHFFFAOYSA-N -1 3 352.409 2.162 20 5 FEBDHM O=C(CNC(=O)c1cccc([O-])c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000275173006 330018392 /nfs/dbraw/zinc/01/83/92/330018392.db2.gz SRRSNVAKWANTEW-UHFFFAOYSA-N -1 3 371.393 2.169 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000155158526 518178450 /nfs/dbraw/zinc/17/84/50/518178450.db2.gz TVSAGMVYACCGDD-SNVBAGLBSA-N -1 3 368.415 2.456 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1c(C)noc1C ZINC000158692982 545886441 /nfs/dbraw/zinc/88/64/41/545886441.db2.gz JWWCZEZJTMQVHF-SECBINFHSA-N -1 3 369.399 2.290 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1 ZINC000159773801 545979743 /nfs/dbraw/zinc/97/97/43/545979743.db2.gz JOMAARDVHXUSCW-UHFFFAOYSA-N -1 3 363.395 2.257 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000480893525 561219686 /nfs/dbraw/zinc/21/96/86/561219686.db2.gz NZKYWOCKWJLRKL-GFCCVEGCSA-N -1 3 363.395 2.041 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c1C ZINC000480960787 561221300 /nfs/dbraw/zinc/22/13/00/561221300.db2.gz ZXLYXZAWQBBAGL-AWEZNQCLSA-N -1 3 372.443 2.076 20 5 FEBDHM Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000177869598 546699885 /nfs/dbraw/zinc/69/98/85/546699885.db2.gz DLHAZQLSORIVBM-SNVBAGLBSA-N -1 3 353.334 2.278 20 5 FEBDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180830932 547188248 /nfs/dbraw/zinc/18/82/48/547188248.db2.gz KPAMXVPUYGMGET-CQSZACIVSA-N -1 3 363.439 2.394 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)N2CCc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC000182774168 547550349 /nfs/dbraw/zinc/55/03/49/547550349.db2.gz DZOSFCSDKVSXMJ-UHFFFAOYSA-N -1 3 369.377 2.318 20 5 FEBDHM CCNC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000485282962 561316170 /nfs/dbraw/zinc/31/61/70/561316170.db2.gz HQVLEPZRYVQPLG-UHFFFAOYSA-N -1 3 353.338 2.473 20 5 FEBDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186764348 548187762 /nfs/dbraw/zinc/18/77/62/548187762.db2.gz WJHPXCOSCLZVOV-CYBMUJFWSA-N -1 3 362.411 2.324 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCSC2)ccc1Br ZINC000268836196 550121461 /nfs/dbraw/zinc/12/14/61/550121461.db2.gz GPLCQGRNDGHEGJ-SSDOTTSWSA-N -1 3 367.246 2.141 20 5 FEBDHM CC(C)c1[nH]nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1[N+](=O)[O-] ZINC000269414010 550192839 /nfs/dbraw/zinc/19/28/39/550192839.db2.gz VZUAYRMUFDECID-UHFFFAOYSA-N -1 3 367.387 2.065 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccccc3nc2N2CCCC2)n1 ZINC000270790565 550307310 /nfs/dbraw/zinc/30/73/10/550307310.db2.gz AUPDONWCFGIOQV-UHFFFAOYSA-N -1 3 367.369 2.124 20 5 FEBDHM O=C(Nc1cccc(CN2CCSCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274955054 550567283 /nfs/dbraw/zinc/56/72/83/550567283.db2.gz JINPBESASHCNPA-UHFFFAOYSA-N -1 3 374.422 2.497 20 5 FEBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC000277988789 550736541 /nfs/dbraw/zinc/73/65/41/550736541.db2.gz GQZBVIZFSYPVMM-UHFFFAOYSA-N -1 3 358.354 2.093 20 5 FEBDHM COC(=O)c1cnc(SCCOc2ccc(OC)cc2[N+](=O)[O-])[n-]1 ZINC000278715259 550814113 /nfs/dbraw/zinc/81/41/13/550814113.db2.gz SEEMIPMLMYDDPY-UHFFFAOYSA-N -1 3 353.356 2.284 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1 ZINC000281108620 551064169 /nfs/dbraw/zinc/06/41/69/551064169.db2.gz GBRYYAVSZQWUDB-DZGCQCFKSA-N -1 3 363.395 2.107 20 5 FEBDHM C[C@@]1(C[C@@H]2CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)NC(=O)[N-]C1=O ZINC000286446874 551886319 /nfs/dbraw/zinc/88/63/19/551886319.db2.gz RRHJRKAPLXZCET-UGSOOPFHSA-N -1 3 369.381 2.100 20 5 FEBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N-]OC/C=C/Cl ZINC000291694117 552652030 /nfs/dbraw/zinc/65/20/30/552652030.db2.gz BSFUCZBOKFZALC-QHHAFSJGSA-N -1 3 355.734 2.083 20 5 FEBDHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000292691362 552749829 /nfs/dbraw/zinc/74/98/29/552749829.db2.gz CMTQQCOLRMUXTE-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000292986047 552777655 /nfs/dbraw/zinc/77/76/55/552777655.db2.gz MNJOLXGWZZCXOE-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC(C)O[N-]C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000294233046 552890090 /nfs/dbraw/zinc/89/00/90/552890090.db2.gz VOZMIDZCLRCRIK-UHFFFAOYSA-N -1 3 350.112 2.269 20 5 FEBDHM O=c1nc(C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)[nH][n-]1 ZINC000294263359 552892270 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DZQOLJPNHHXILV-OLZOCXBDSA-N -1 3 370.427 2.484 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000416650627 559327594 /nfs/dbraw/zinc/32/75/94/559327594.db2.gz QTNZCRZWRSHCHT-SNVBAGLBSA-N -1 3 364.395 2.082 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427134581 559748808 /nfs/dbraw/zinc/74/88/08/559748808.db2.gz BRFFAJFIUPUSFP-UHFFFAOYSA-N -1 3 369.131 2.119 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C3CC3)c(C(=O)OC)s2)n1 ZINC000427392414 559754665 /nfs/dbraw/zinc/75/46/65/559754665.db2.gz WBSAJSOLGRXRFY-UHFFFAOYSA-N -1 3 365.371 2.184 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000443261811 560076591 /nfs/dbraw/zinc/07/65/91/560076591.db2.gz IBGXJZPBECBNJB-GFCCVEGCSA-N -1 3 368.333 2.053 20 5 FEBDHM CN(C)[C@@H]1CCOc2c(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cccc21 ZINC000447725059 560168019 /nfs/dbraw/zinc/16/80/19/560168019.db2.gz ZJFFSHSURXFTKW-CYBMUJFWSA-N -1 3 358.354 2.333 20 5 FEBDHM CCCC[C@@H](CCC)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000450103047 560250740 /nfs/dbraw/zinc/25/07/40/560250740.db2.gz INIUZTNEJBHADD-CYBMUJFWSA-N -1 3 371.459 2.348 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC1=CCCCC1)OCCO2 ZINC000451638529 560318606 /nfs/dbraw/zinc/31/86/06/560318606.db2.gz HQDODXSUVIQYNW-UHFFFAOYSA-N -1 3 354.384 2.145 20 5 FEBDHM CC(C)C[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451651102 560319600 /nfs/dbraw/zinc/31/96/00/560319600.db2.gz MEUGBIXAEUUDFU-AWEZNQCLSA-N -1 3 355.460 2.384 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451671631 560321260 /nfs/dbraw/zinc/32/12/60/560321260.db2.gz MVGNWDACGMLYPT-AWEZNQCLSA-N -1 3 350.396 2.131 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451840738 560331786 /nfs/dbraw/zinc/33/17/86/560331786.db2.gz QHCVUOCLOOCMKD-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C ZINC000451843367 560331966 /nfs/dbraw/zinc/33/19/66/560331966.db2.gz RXMQSDYJHBEIRT-ZDUSSCGKSA-N -1 3 358.416 2.158 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451850671 560332208 /nfs/dbraw/zinc/33/22/08/560332208.db2.gz ILVUBWMGTOUKIR-BBRMVZONSA-N -1 3 374.459 2.171 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000451900178 560335702 /nfs/dbraw/zinc/33/57/02/560335702.db2.gz LMIDOPZHLMSKQS-UKRRQHHQSA-N -1 3 363.395 2.188 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000452052198 560348244 /nfs/dbraw/zinc/34/82/44/560348244.db2.gz ZIHYYLYMROCINU-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC1(C)CCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452085293 560350264 /nfs/dbraw/zinc/35/02/64/560350264.db2.gz JXVQHWYSMAYZLE-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM O=c1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)[n-]1 ZINC000459300438 560678469 /nfs/dbraw/zinc/67/84/69/560678469.db2.gz 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COc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1O ZINC000533552593 562512770 /nfs/dbraw/zinc/51/27/70/562512770.db2.gz SDSRKDVAMHONRV-UHFFFAOYSA-N -1 3 366.395 2.404 20 5 FEBDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541311265 562608657 /nfs/dbraw/zinc/60/86/57/562608657.db2.gz RMKGUPQCLWBVBM-GFCCVEGCSA-N -1 3 354.384 2.114 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000541931760 562623728 /nfs/dbraw/zinc/62/37/28/562623728.db2.gz AAMUKWMFSOYZTB-SFHVURJKSA-N -1 3 369.381 2.273 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000568769059 568196242 /nfs/dbraw/zinc/19/62/42/568196242.db2.gz AZYVCXKKHWPIIJ-CYBMUJFWSA-N -1 3 371.459 2.002 20 5 FEBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000569651704 568411342 /nfs/dbraw/zinc/41/13/42/568411342.db2.gz NQPNPPWLINKOQV-ZDUSSCGKSA-N -1 3 362.835 2.324 20 5 FEBDHM COc1cc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1C ZINC000737046033 599044857 /nfs/dbraw/zinc/04/48/57/599044857.db2.gz ZCMUHQBVOBQOQO-UHFFFAOYSA-N -1 3 355.358 2.142 20 5 FEBDHM COc1cc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C ZINC000737046033 599044861 /nfs/dbraw/zinc/04/48/61/599044861.db2.gz ZCMUHQBVOBQOQO-UHFFFAOYSA-N -1 3 355.358 2.142 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738369801 599059765 /nfs/dbraw/zinc/05/97/65/599059765.db2.gz OWTMZMYWXWSAMA-GFCCVEGCSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738369801 599059768 /nfs/dbraw/zinc/05/97/68/599059768.db2.gz OWTMZMYWXWSAMA-GFCCVEGCSA-N -1 3 366.385 2.251 20 5 FEBDHM COc1ccccc1O[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821903645 599077757 /nfs/dbraw/zinc/07/77/57/599077757.db2.gz IRSZXCZTLWHLTR-JTQLQIEISA-N -1 3 371.357 2.058 20 5 FEBDHM COc1ccccc1O[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821903645 599077759 /nfs/dbraw/zinc/07/77/59/599077759.db2.gz 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O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738232934 598290191 /nfs/dbraw/zinc/29/01/91/598290191.db2.gz BCQANRWMNQANSC-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM Cc1cc(C)n([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737255862 598339449 /nfs/dbraw/zinc/33/94/49/598339449.db2.gz JTAANTZOFTWNPB-CQSZACIVSA-N -1 3 368.401 2.430 20 5 FEBDHM Cc1cc(C)n([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737255862 598339451 /nfs/dbraw/zinc/33/94/51/598339451.db2.gz JTAANTZOFTWNPB-CQSZACIVSA-N -1 3 368.401 2.430 20 5 FEBDHM CC(C)c1nc2c(n1C)CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000735943364 598375268 /nfs/dbraw/zinc/37/52/68/598375268.db2.gz QEFCJHQQHYNGCW-UHFFFAOYSA-N -1 3 368.401 2.195 20 5 FEBDHM CC(C)c1nc2c(n1C)CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000735943364 598375270 /nfs/dbraw/zinc/37/52/70/598375270.db2.gz QEFCJHQQHYNGCW-UHFFFAOYSA-N -1 3 368.401 2.195 20 5 FEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820533831 607355784 /nfs/dbraw/zinc/35/57/84/607355784.db2.gz HBMOBWJGVJWBFC-SECBINFHSA-N -1 3 373.300 2.287 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000738373416 598500060 /nfs/dbraw/zinc/50/00/60/598500060.db2.gz CINNNOYPAOMAPG-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000738373416 598500062 /nfs/dbraw/zinc/50/00/62/598500062.db2.gz CINNNOYPAOMAPG-UHFFFAOYSA-N -1 3 363.341 2.158 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[S@@](=O)Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370778 598628692 /nfs/dbraw/zinc/62/86/92/598628692.db2.gz QHMKAHVYOKWQRD-AREMUKBSSA-N -1 3 372.410 2.136 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[S@@](=O)Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370778 598628694 /nfs/dbraw/zinc/62/86/94/598628694.db2.gz QHMKAHVYOKWQRD-AREMUKBSSA-N -1 3 372.410 2.136 20 5 FEBDHM O=[N+]([O-])c1cccnc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738370711 598798181 /nfs/dbraw/zinc/79/81/81/598798181.db2.gz YCOIHMZKEFRRJS-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1cccnc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738370711 598798182 /nfs/dbraw/zinc/79/81/82/598798182.db2.gz YCOIHMZKEFRRJS-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1cnccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738374428 598798246 /nfs/dbraw/zinc/79/82/46/598798246.db2.gz OFNVNRZTVJQVEP-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1cnccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738374428 598798247 /nfs/dbraw/zinc/79/82/47/598798247.db2.gz OFNVNRZTVJQVEP-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM CN(C[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596199 599490351 /nfs/dbraw/zinc/49/03/51/599490351.db2.gz CFPUPXUXBZUGGN-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM CN(C[C@@H]1CCCCO1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596199 599490352 /nfs/dbraw/zinc/49/03/52/599490352.db2.gz CFPUPXUXBZUGGN-LBPRGKRZSA-N -1 3 369.385 2.328 20 5 FEBDHM C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327076 599514471 /nfs/dbraw/zinc/51/44/71/599514471.db2.gz DUAKKEIAWBSLEQ-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327076 599514472 /nfs/dbraw/zinc/51/44/72/599514472.db2.gz DUAKKEIAWBSLEQ-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820392706 599634336 /nfs/dbraw/zinc/63/43/36/599634336.db2.gz ZHKZBQWNSSTXKU-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820392706 599634337 /nfs/dbraw/zinc/63/43/37/599634337.db2.gz ZHKZBQWNSSTXKU-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM O=C1C[C@H](c2cccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c2)CN1 ZINC000823521682 607388420 /nfs/dbraw/zinc/38/84/20/607388420.db2.gz ZHHBLTLXDSZQSO-NSHDSACASA-N -1 3 365.353 2.122 20 5 FEBDHM O=C1C[C@H](c2cccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)CN1 ZINC000823521682 607388421 /nfs/dbraw/zinc/38/84/21/607388421.db2.gz ZHHBLTLXDSZQSO-NSHDSACASA-N -1 3 365.353 2.122 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000821745104 607410433 /nfs/dbraw/zinc/41/04/33/607410433.db2.gz DQOLAPYKJFDNMW-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000821745104 607410434 /nfs/dbraw/zinc/41/04/34/607410434.db2.gz DQOLAPYKJFDNMW-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=C([O-])[C@H]1c2ccccc2CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566626034 601546913 /nfs/dbraw/zinc/54/69/13/601546913.db2.gz VNGAVCZPFVXMLM-CRAIPNDOSA-N -1 3 372.377 2.019 20 5 FEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nnn[n-]1 ZINC000826203958 607560084 /nfs/dbraw/zinc/56/00/84/607560084.db2.gz OHHZFGNQKOGJMA-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nn[n-]n1 ZINC000826203958 607560086 /nfs/dbraw/zinc/56/00/86/607560086.db2.gz OHHZFGNQKOGJMA-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739100585 602432134 /nfs/dbraw/zinc/43/21/34/602432134.db2.gz OJRIYISYDQGBTJ-SJCJKPOMSA-N -1 3 364.402 2.339 20 5 FEBDHM CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000738769788 603078975 /nfs/dbraw/zinc/07/89/75/603078975.db2.gz GGTZUXOYXDURIS-HNNXBMFYSA-N -1 3 372.809 2.459 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826246115 607656241 /nfs/dbraw/zinc/65/62/41/607656241.db2.gz SAQBQQWJQWYAFW-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826246115 607656244 /nfs/dbraw/zinc/65/62/44/607656244.db2.gz SAQBQQWJQWYAFW-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM CCOC(=O)CCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000825506112 607679432 /nfs/dbraw/zinc/67/94/32/607679432.db2.gz FAUBUIMEWICTIP-UHFFFAOYSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CCC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000825506112 607679435 /nfs/dbraw/zinc/67/94/35/607679435.db2.gz FAUBUIMEWICTIP-UHFFFAOYSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000825506220 607679516 /nfs/dbraw/zinc/67/95/16/607679516.db2.gz IAUKTXSNTPHVIB-UHFFFAOYSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000825506220 607679518 /nfs/dbraw/zinc/67/95/18/607679518.db2.gz IAUKTXSNTPHVIB-UHFFFAOYSA-N -1 3 374.401 2.335 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000826249014 607696445 /nfs/dbraw/zinc/69/64/45/607696445.db2.gz HPWFDBKWJQXCMA-UHFFFAOYSA-N -1 3 352.354 2.056 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000826249014 607696448 /nfs/dbraw/zinc/69/64/48/607696448.db2.gz HPWFDBKWJQXCMA-UHFFFAOYSA-N -1 3 352.354 2.056 20 5 FEBDHM Cn1cc(CN2CCC[C@H](CNC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833947210 605552695 /nfs/dbraw/zinc/55/26/95/605552695.db2.gz AVMKNKPKNCNPIO-CYBMUJFWSA-N -1 3 373.413 2.475 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000823644764 606097069 /nfs/dbraw/zinc/09/70/69/606097069.db2.gz MGWJMYHAMXJDHR-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000823644764 606097072 /nfs/dbraw/zinc/09/70/72/606097072.db2.gz MGWJMYHAMXJDHR-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821446990 606104545 /nfs/dbraw/zinc/10/45/45/606104545.db2.gz GUJPIIYWZFKQBS-GWGNUCMJSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821446990 606104546 /nfs/dbraw/zinc/10/45/46/606104546.db2.gz GUJPIIYWZFKQBS-GWGNUCMJSA-N -1 3 364.431 2.267 20 5 FEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822659887 606390972 /nfs/dbraw/zinc/39/09/72/606390972.db2.gz POBMNWALIHTFMA-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822659887 606390974 /nfs/dbraw/zinc/39/09/74/606390974.db2.gz POBMNWALIHTFMA-UHFFFAOYSA-N -1 3 362.733 2.124 20 5 FEBDHM CCc1n[nH]c(=O)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1CC ZINC000821505539 606831250 /nfs/dbraw/zinc/83/12/50/606831250.db2.gz SMMLUSBGBMBTQM-UHFFFAOYSA-N -1 3 370.373 2.007 20 5 FEBDHM CCc1n[nH]c(=O)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1CC ZINC000821505539 606831251 /nfs/dbraw/zinc/83/12/51/606831251.db2.gz SMMLUSBGBMBTQM-UHFFFAOYSA-N -1 3 370.373 2.007 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826272612 607863411 /nfs/dbraw/zinc/86/34/11/607863411.db2.gz SHOGJCNBAMGPGV-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826272612 607863412 /nfs/dbraw/zinc/86/34/12/607863412.db2.gz SHOGJCNBAMGPGV-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826291326 607863467 /nfs/dbraw/zinc/86/34/67/607863467.db2.gz ABDXGUXMRYULNR-LLVKDONJSA-N -1 3 369.337 2.456 20 5 FEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824670754 607903061 /nfs/dbraw/zinc/90/30/61/607903061.db2.gz UYJDZHWUMUTDPV-MGGBDBEPSA-N -1 3 373.398 2.080 20 5 FEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824670754 607903062 /nfs/dbraw/zinc/90/30/62/607903062.db2.gz UYJDZHWUMUTDPV-MGGBDBEPSA-N -1 3 373.398 2.080 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1-c1nnn[n-]1 ZINC000826421432 608000534 /nfs/dbraw/zinc/00/05/34/608000534.db2.gz HRTWTVVLWDFSFD-UHFFFAOYSA-N -1 3 363.337 2.437 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1-c1nn[n-]n1 ZINC000826421432 608000535 /nfs/dbraw/zinc/00/05/35/608000535.db2.gz HRTWTVVLWDFSFD-UHFFFAOYSA-N -1 3 363.337 2.437 20 5 FEBDHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1O ZINC000826192990 608015906 /nfs/dbraw/zinc/01/59/06/608015906.db2.gz LCUCNQUUYZPGCN-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1O ZINC000826192990 608015907 /nfs/dbraw/zinc/01/59/07/608015907.db2.gz LCUCNQUUYZPGCN-UHFFFAOYSA-N -1 3 356.342 2.126 20 5 FEBDHM O=C(C[C@H]1CCCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403909 608160720 /nfs/dbraw/zinc/16/07/20/608160720.db2.gz IAHBKBDKLMOFJF-SECBINFHSA-N -1 3 366.765 2.326 20 5 FEBDHM O=C(C[C@H]1CCCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403909 608160722 /nfs/dbraw/zinc/16/07/22/608160722.db2.gz IAHBKBDKLMOFJF-SECBINFHSA-N -1 3 366.765 2.326 20 5 FEBDHM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180658 608160963 /nfs/dbraw/zinc/16/09/63/608160963.db2.gz AAMXBSFXMMCXBP-KCJUWKMLSA-N -1 3 366.765 2.324 20 5 FEBDHM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180658 608160965 /nfs/dbraw/zinc/16/09/65/608160965.db2.gz AAMXBSFXMMCXBP-KCJUWKMLSA-N -1 3 366.765 2.324 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000826466438 608452396 /nfs/dbraw/zinc/45/23/96/608452396.db2.gz CQTKRMMKMCZMCO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000826466438 608452398 /nfs/dbraw/zinc/45/23/98/608452398.db2.gz CQTKRMMKMCZMCO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000826499463 608607143 /nfs/dbraw/zinc/60/71/43/608607143.db2.gz JKTHRISCPSNQSC-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000826499463 608607145 /nfs/dbraw/zinc/60/71/45/608607145.db2.gz JKTHRISCPSNQSC-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c(F)ccc1[N+](=O)[O-] ZINC000811831375 674632218 /nfs/dbraw/zinc/63/22/18/674632218.db2.gz IFSFYCFJZPLTGA-UHFFFAOYSA-N -1 3 354.363 2.304 20 5 FEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000561483577 674671836 /nfs/dbraw/zinc/67/18/36/674671836.db2.gz XFCGQGQUQGSYRC-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000814987837 674893357 /nfs/dbraw/zinc/89/33/57/674893357.db2.gz FYXUOQDQNQGJIQ-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000564906360 675074460 /nfs/dbraw/zinc/07/44/60/675074460.db2.gz KCAVMCUYVXWWAO-YUMQZZPRSA-N -1 3 354.306 2.069 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000095116111 670759525 /nfs/dbraw/zinc/75/95/25/670759525.db2.gz SVOYFWRKXUJMCX-UHFFFAOYSA-N -1 3 370.774 2.458 20 5 FEBDHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000592074486 672748332 /nfs/dbraw/zinc/74/83/32/672748332.db2.gz DCCNUSDJXMEBRM-VIFPVBQESA-N -1 3 364.445 2.221 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(CO)CC=CC1 ZINC000592099097 672755565 /nfs/dbraw/zinc/75/55/65/672755565.db2.gz QZRWMNZHZIMWBW-OAHLLOKOSA-N -1 3 372.418 2.366 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC000592099856 672755818 /nfs/dbraw/zinc/75/58/18/672755818.db2.gz OUSSOSCDZWNRKE-VIFPVBQESA-N -1 3 364.445 2.363 20 5 FEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000593562394 672944131 /nfs/dbraw/zinc/94/41/31/672944131.db2.gz UYBPTGOFDCTFHP-ZIAGYGMSSA-N -1 3 369.443 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)nc1 ZINC000593564664 672944628 /nfs/dbraw/zinc/94/46/28/672944628.db2.gz YEQVOXHNWCDTQS-LBPRGKRZSA-N -1 3 355.416 2.150 20 5 FEBDHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574380 672948175 /nfs/dbraw/zinc/94/81/75/672948175.db2.gz BDDBSLLCDZACAH-GFCCVEGCSA-N -1 3 373.431 2.026 20 5 FEBDHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593588929 672951950 /nfs/dbraw/zinc/95/19/50/672951950.db2.gz OLNYWXWMIURPAK-UHFFFAOYSA-N -1 3 365.411 2.298 20 5 FEBDHM Cn1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000612687279 676093606 /nfs/dbraw/zinc/09/36/06/676093606.db2.gz CDILPEPMALKUNY-UHFFFAOYSA-N -1 3 364.358 2.099 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1F ZINC000594854242 673164998 /nfs/dbraw/zinc/16/49/98/673164998.db2.gz GRCDWLIHZSTGQS-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM COC(=O)c1occc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000594865988 673171320 /nfs/dbraw/zinc/17/13/20/673171320.db2.gz VJJSWFBXHDLHSZ-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595380727 673238249 /nfs/dbraw/zinc/23/82/49/673238249.db2.gz BLGKXDDSRNCKPN-IAQYHMDHSA-N -1 3 368.386 2.177 20 5 FEBDHM CC(C)(C)OC(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596286567 673374422 /nfs/dbraw/zinc/37/44/22/673374422.db2.gz NTSIYRSDPIPVHT-UHFFFAOYSA-N -1 3 353.375 2.246 20 5 FEBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000597491618 673482319 /nfs/dbraw/zinc/48/23/19/673482319.db2.gz PCMCWBGQGFFYQY-UWVGGRQHSA-N -1 3 364.276 2.223 20 5 FEBDHM COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)c([O-])co2)cc1SC ZINC000736813027 673540878 /nfs/dbraw/zinc/54/08/78/673540878.db2.gz MEMGDEHYEIQLKH-UHFFFAOYSA-N -1 3 367.335 2.341 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000545468269 673771553 /nfs/dbraw/zinc/77/15/53/673771553.db2.gz XJTABGJTVANFKD-UHFFFAOYSA-N -1 3 354.306 2.367 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)cn1 ZINC000547335361 673844139 /nfs/dbraw/zinc/84/41/39/673844139.db2.gz MTDPZEJKGXTAJY-UHFFFAOYSA-N -1 3 358.379 2.378 20 5 FEBDHM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000604037075 675803397 /nfs/dbraw/zinc/80/33/97/675803397.db2.gz JZNFCGYFDUQXAW-UHFFFAOYSA-N -1 3 363.395 2.422 20 5 FEBDHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000764597956 680816407 /nfs/dbraw/zinc/81/64/07/680816407.db2.gz PHTDVKPRWMEJAY-ZWNOBZJWSA-N -1 3 358.416 2.163 20 5 FEBDHM Cn1c2ccccc2sc1=N[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768867585 680962527 /nfs/dbraw/zinc/96/25/27/680962527.db2.gz XEODPXBTSNPWFP-UHFFFAOYSA-N -1 3 370.437 2.004 20 5 FEBDHM Cn1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)nc1Cl ZINC000769908464 681000103 /nfs/dbraw/zinc/00/01/03/681000103.db2.gz QRKPWDPMBJGRQY-UHFFFAOYSA-N -1 3 365.198 2.114 20 5 FEBDHM CC(C)Oc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000773233223 681132528 /nfs/dbraw/zinc/13/25/28/681132528.db2.gz SBRIHJSAQNTNCB-UHFFFAOYSA-N -1 3 352.372 2.082 20 5 FEBDHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000778000866 681555623 /nfs/dbraw/zinc/55/56/23/681555623.db2.gz PLYNACVOYHNKMD-UHFFFAOYSA-N -1 3 354.265 2.383 20 5 FEBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000849370589 681697653 /nfs/dbraw/zinc/69/76/53/681697653.db2.gz HQTDEUNYLOWHMM-HNNXBMFYSA-N -1 3 370.475 2.025 20 5 FEBDHM O=C(O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000851178329 682030680 /nfs/dbraw/zinc/03/06/80/682030680.db2.gz KGRGDGOJJXNIEX-KKOKHZNYSA-N -1 3 358.272 2.059 20 5 FEBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795940630 683110930 /nfs/dbraw/zinc/11/09/30/683110930.db2.gz VBAYEDMFHBRMMX-VIFPVBQESA-N -1 3 367.830 2.396 20 5 FEBDHM Cn1nccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000798226013 683324801 /nfs/dbraw/zinc/32/48/01/683324801.db2.gz VPXCOMQHTXVGGX-UHFFFAOYSA-N -1 3 365.198 2.114 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000921852336 683592600 /nfs/dbraw/zinc/59/26/00/683592600.db2.gz YHKNAGXGAMUOHJ-AAEUAGOBSA-N -1 3 360.457 2.448 20 5 FEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nncn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000532769470 835394351 /nfs/dbraw/zinc/39/43/51/835394351.db2.gz DGYAWOUVQJGAAZ-UHFFFAOYSA-N -1 3 355.358 2.333 20 5 FEBDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000017333606 539641336 /nfs/dbraw/zinc/64/13/36/539641336.db2.gz ACKVKHXAOCGOAN-UHFFFAOYSA-N -1 3 360.395 2.231 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(Cn2ccnc2)c1 ZINC000024687526 539738552 /nfs/dbraw/zinc/73/85/52/539738552.db2.gz NAKVGPDOAAUQTG-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031958711 539925366 /nfs/dbraw/zinc/92/53/66/539925366.db2.gz NDCGTYPQZCAUEE-UHFFFAOYSA-N -1 3 365.455 2.392 20 5 FEBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1-n1cnnn1 ZINC000033083506 539967140 /nfs/dbraw/zinc/96/71/40/539967140.db2.gz KTIDEWSHWBBBBI-UHFFFAOYSA-N -1 3 364.325 2.008 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN1CCCc2ccccc21 ZINC000042744286 540076688 /nfs/dbraw/zinc/07/66/88/540076688.db2.gz MKZSKAKEBNBCEG-UHFFFAOYSA-N -1 3 361.423 2.326 20 5 FEBDHM CCNC(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000045314836 540209776 /nfs/dbraw/zinc/20/97/76/540209776.db2.gz XDMXTRFQNBZPSS-UHFFFAOYSA-N -1 3 353.338 2.473 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000053690873 540550030 /nfs/dbraw/zinc/55/00/30/540550030.db2.gz LEBRRYIACFWLLG-UHFFFAOYSA-N -1 3 367.402 2.144 20 5 FEBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055956190 540690470 /nfs/dbraw/zinc/69/04/70/540690470.db2.gz OCAVINZQFCQHGD-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM COc1ccc(OCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055989587 540692579 /nfs/dbraw/zinc/69/25/79/540692579.db2.gz LXDJWVIVRDFMAB-UHFFFAOYSA-N -1 3 366.395 2.269 20 5 FEBDHM Cc1cc([N-]c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000543189652 541546272 /nfs/dbraw/zinc/54/62/72/541546272.db2.gz GRCSZMJJWFITAG-SNVBAGLBSA-N -1 3 365.415 2.462 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000068940259 541642751 /nfs/dbraw/zinc/64/27/51/541642751.db2.gz MJIQUGSAZBCHIE-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000071990928 541778147 /nfs/dbraw/zinc/77/81/47/541778147.db2.gz NLSXDKBKXQFIGO-UHFFFAOYSA-N -1 3 366.399 2.175 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000108404893 543289505 /nfs/dbraw/zinc/28/95/05/543289505.db2.gz ONWPUMGKKKIOSE-UHFFFAOYSA-N -1 3 371.440 2.198 20 5 FEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111352849 543398490 /nfs/dbraw/zinc/39/84/90/543398490.db2.gz NZFIXRRNRULJHI-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000129237671 544099580 /nfs/dbraw/zinc/09/95/80/544099580.db2.gz GHAXXQJYUXLQFZ-BBRMVZONSA-N -1 3 364.423 2.174 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000152228944 544627858 /nfs/dbraw/zinc/62/78/58/544627858.db2.gz FYCINDMAJGQDAB-PHIMTYICSA-N -1 3 362.835 2.386 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000153721019 544814079 /nfs/dbraw/zinc/81/40/79/544814079.db2.gz PQRBYVFWDUONGN-LBPRGKRZSA-N -1 3 363.395 2.041 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c1 ZINC000188897976 328116387 /nfs/dbraw/zinc/11/63/87/328116387.db2.gz BSYXWEFWPSYRQJ-WDEREUQCSA-N -1 3 362.835 2.386 20 5 FEBDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cnn1C ZINC000189834678 328170568 /nfs/dbraw/zinc/17/05/68/328170568.db2.gz DGZMMALMINQCBL-NSHDSACASA-N -1 3 352.416 2.293 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000190154988 328191451 /nfs/dbraw/zinc/19/14/51/328191451.db2.gz IYFGNLKBYMKVJG-KBPBESRZSA-N -1 3 354.428 2.448 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000190961409 328242303 /nfs/dbraw/zinc/24/23/03/328242303.db2.gz DSPZXHKVORDIAS-UHFFFAOYSA-N -1 3 358.750 2.117 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000020004463 324391770 /nfs/dbraw/zinc/39/17/70/324391770.db2.gz MAOFUVKVDUZIOI-UHFFFAOYSA-N -1 3 360.395 2.313 20 5 FEBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccncc1[O-] ZINC000109890012 325679971 /nfs/dbraw/zinc/67/99/71/325679971.db2.gz RILYSVAJBXUOEW-UHFFFAOYSA-N -1 3 358.310 2.022 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC(F)(F)F)c1C ZINC000119600846 326179553 /nfs/dbraw/zinc/17/95/53/326179553.db2.gz RGTYFNQODNOIPI-UHFFFAOYSA-N -1 3 370.349 2.459 20 5 FEBDHM O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119712885 326190230 /nfs/dbraw/zinc/19/02/30/326190230.db2.gz DDDYDMVQYGDKSQ-UHFFFAOYSA-N -1 3 356.382 2.342 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)cc1C ZINC000124841185 326461054 /nfs/dbraw/zinc/46/10/54/326461054.db2.gz VABVIHMYORNQAD-HZPDHXFCSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)cc1C ZINC000162636855 327030697 /nfs/dbraw/zinc/03/06/97/327030697.db2.gz KQICVRDGSZSZKK-ZFWWWQNUSA-N -1 3 354.428 2.448 20 5 FEBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163373955 327049952 /nfs/dbraw/zinc/04/99/52/327049952.db2.gz YIHUCTDSZWYURT-MRVPVSSYSA-N -1 3 356.322 2.317 20 5 FEBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000173981245 327299420 /nfs/dbraw/zinc/29/94/20/327299420.db2.gz CXGVEUUAQTXLDR-UHFFFAOYSA-N -1 3 372.834 2.385 20 5 FEBDHM CCc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000174207144 327313059 /nfs/dbraw/zinc/31/30/59/327313059.db2.gz BDCTYPGPIRLACA-UHFFFAOYSA-N -1 3 352.354 2.267 20 5 FEBDHM CCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000174207144 327313060 /nfs/dbraw/zinc/31/30/60/327313060.db2.gz BDCTYPGPIRLACA-UHFFFAOYSA-N -1 3 352.354 2.267 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSC2)cc1Br ZINC000266330820 329212353 /nfs/dbraw/zinc/21/23/53/329212353.db2.gz SULDBPOGCBVBIJ-ZETCQYMHSA-N -1 3 367.246 2.141 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)c1C ZINC000268894091 329465753 /nfs/dbraw/zinc/46/57/53/329465753.db2.gz VITJDSHQVNAQBK-UHFFFAOYSA-N -1 3 364.427 2.223 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1([C@H](C)CCO)CCC1 ZINC000271843536 329730051 /nfs/dbraw/zinc/73/00/51/329730051.db2.gz QPWHDNBBEIOZEG-GFCCVEGCSA-N -1 3 372.443 2.071 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276364592 330145188 /nfs/dbraw/zinc/14/51/88/330145188.db2.gz ZPJSHFANVLGDNF-UHFFFAOYSA-N -1 3 359.357 2.398 20 5 FEBDHM COc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c([N+](=O)[O-])cc1OC ZINC000473845231 538802498 /nfs/dbraw/zinc/80/24/98/538802498.db2.gz DZIPKHPJXIOWBS-GFCCVEGCSA-N -1 3 362.342 2.439 20 5 FEBDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000156713330 545650664 /nfs/dbraw/zinc/65/06/64/545650664.db2.gz JENQSIGESTUELA-UKRRQHHQSA-N -1 3 364.423 2.428 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)cc1C ZINC000159558101 545963600 /nfs/dbraw/zinc/96/36/00/545963600.db2.gz YRAAKBRBQJZFOR-HNNXBMFYSA-N -1 3 356.444 2.431 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000479130555 561182165 /nfs/dbraw/zinc/18/21/65/561182165.db2.gz OBQSLOYMDZXUPW-LLVKDONJSA-N -1 3 356.322 2.149 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000480746151 561215909 /nfs/dbraw/zinc/21/59/09/561215909.db2.gz FFGGEGVTBHOAOX-SSDOTTSWSA-N -1 3 356.347 2.397 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000480918640 561220188 /nfs/dbraw/zinc/22/01/88/561220188.db2.gz ABOFPKGCQODGBU-LBPRGKRZSA-N -1 3 363.395 2.209 20 5 FEBDHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184704489 547868742 /nfs/dbraw/zinc/86/87/42/547868742.db2.gz NHAAXYPBEZNANO-INIZCTEOSA-N -1 3 350.396 2.056 20 5 FEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000186820087 548200400 /nfs/dbraw/zinc/20/04/00/548200400.db2.gz COKHMEMISDHQHN-UHFFFAOYSA-N -1 3 374.372 2.183 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000195116112 548579173 /nfs/dbraw/zinc/57/91/73/548579173.db2.gz DRSJLNPEKGGZHX-UHFFFAOYSA-N -1 3 367.452 2.451 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000487280220 561367103 /nfs/dbraw/zinc/36/71/03/561367103.db2.gz QJDWKEQGZCIBPY-UHFFFAOYSA-N -1 3 372.790 2.190 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245534582 548941067 /nfs/dbraw/zinc/94/10/67/548941067.db2.gz HXLNXVRETVEGPE-KCPJHIHWSA-N -1 3 352.412 2.139 20 5 FEBDHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246319692 549105043 /nfs/dbraw/zinc/10/50/43/549105043.db2.gz DCCYEMWOPQTDII-TUAOUCFPSA-N -1 3 361.489 2.301 20 5 FEBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000248562814 549459032 /nfs/dbraw/zinc/45/90/32/549459032.db2.gz OHFJRIUXVSJQMO-LXZKKBNFSA-N -1 3 373.409 2.202 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000268937413 550133876 /nfs/dbraw/zinc/13/38/76/550133876.db2.gz AETBSEGWRTWBMY-GFCCVEGCSA-N -1 3 370.427 2.374 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000493355232 561455731 /nfs/dbraw/zinc/45/57/31/561455731.db2.gz CWUIIXUGJDZRKE-LBPRGKRZSA-N -1 3 370.349 2.457 20 5 FEBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000269774143 550224273 /nfs/dbraw/zinc/22/42/73/550224273.db2.gz APYNNSCCJRUWNX-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM C[C@H](CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000271094316 550339600 /nfs/dbraw/zinc/33/96/00/550339600.db2.gz ISSQTKJXTJXFBA-GFCCVEGCSA-N -1 3 367.402 2.488 20 5 FEBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000276931675 550612394 /nfs/dbraw/zinc/61/23/94/550612394.db2.gz MLNNGVBBAWXTKO-NXEZZACHSA-N -1 3 353.404 2.266 20 5 FEBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278044306 550742418 /nfs/dbraw/zinc/74/24/18/550742418.db2.gz CHGFCDDBBXSDGU-XJKSGUPXSA-N -1 3 370.409 2.336 20 5 FEBDHM COc1cc(C(=O)[N-]c2cc(C(N)=O)ccc2F)c([N+](=O)[O-])cc1OC ZINC000498261878 561520799 /nfs/dbraw/zinc/52/07/99/561520799.db2.gz LPORKVNDGMWYJG-UHFFFAOYSA-N -1 3 363.301 2.102 20 5 FEBDHM CCc1ccc([C@H](O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000285453977 551759178 /nfs/dbraw/zinc/75/91/78/551759178.db2.gz YFDPKMNJWXPGPK-QGZVFWFLSA-N -1 3 364.423 2.310 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000498912221 561537693 /nfs/dbraw/zinc/53/76/93/561537693.db2.gz RWGBUEHDWMQHQU-CYBMUJFWSA-N -1 3 362.363 2.209 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000288488938 552162036 /nfs/dbraw/zinc/16/20/36/552162036.db2.gz WAPIPYQYWUXLEH-BDJLRTHQSA-N -1 3 366.395 2.004 20 5 FEBDHM CN1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000289210150 552283237 /nfs/dbraw/zinc/28/32/37/552283237.db2.gz SLDKTBXOJBGEBJ-UHFFFAOYSA-N -1 3 368.242 2.274 20 5 FEBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000500714252 561580087 /nfs/dbraw/zinc/58/00/87/561580087.db2.gz SGLAXRWMASOXLN-ZDUSSCGKSA-N -1 3 355.394 2.477 20 5 FEBDHM Cc1nnsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000291610605 552642999 /nfs/dbraw/zinc/64/29/99/552642999.db2.gz BBWOHVFTIZFOQM-UHFFFAOYSA-N -1 3 362.820 2.195 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000502451503 561618763 /nfs/dbraw/zinc/61/87/63/561618763.db2.gz OYJPSZJWNWNTKS-UHFFFAOYSA-N -1 3 352.416 2.333 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000296150607 553113042 /nfs/dbraw/zinc/11/30/42/553113042.db2.gz JSBTYBJMFHQMSU-SECBINFHSA-N -1 3 350.824 2.244 20 5 FEBDHM CC(C)(O)CO[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000299122770 553518442 /nfs/dbraw/zinc/51/84/42/553518442.db2.gz WZCSHTLPIONLDF-UHFFFAOYSA-N -1 3 367.583 2.443 20 5 FEBDHM C[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000301944750 553693424 /nfs/dbraw/zinc/69/34/24/553693424.db2.gz ZNLNVQDUQFDNQQ-SECBINFHSA-N -1 3 369.424 2.499 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@](C)(OC)C1(C)C ZINC000332462244 554450131 /nfs/dbraw/zinc/45/01/31/554450131.db2.gz PWBREXSMXOXAGD-HIFRSBDPSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@](C)(OC)C1(C)C ZINC000332475515 554453211 /nfs/dbraw/zinc/45/32/11/554453211.db2.gz TWODLRZKIPGAPM-HIFRSBDPSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)cc1C ZINC000511154873 561859694 /nfs/dbraw/zinc/85/96/94/561859694.db2.gz JSIYCIOZJLUHKY-AWEZNQCLSA-N -1 3 356.444 2.431 20 5 FEBDHM COC(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)[n-]1 ZINC000350514211 554794169 /nfs/dbraw/zinc/79/41/69/554794169.db2.gz SPJCFBOZHAHMEN-UHFFFAOYSA-N -1 3 358.310 2.359 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000512316730 561900012 /nfs/dbraw/zinc/90/00/12/561900012.db2.gz XMPLRQGMXNAQEL-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366020759 555729763 /nfs/dbraw/zinc/72/97/63/555729763.db2.gz DURNNDVVNIYHSA-CZUORRHYSA-N -1 3 363.414 2.443 20 5 FEBDHM COc1cccc(COCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000513850260 561952552 /nfs/dbraw/zinc/95/25/52/561952552.db2.gz PZSCKQKAJXNFEC-UHFFFAOYSA-N -1 3 366.395 2.099 20 5 FEBDHM CN1CCC(Oc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cn2)CC1 ZINC000370576568 556912594 /nfs/dbraw/zinc/91/25/94/556912594.db2.gz UCOQIORIYQFXAP-UHFFFAOYSA-N -1 3 372.381 2.421 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000517484732 562091154 /nfs/dbraw/zinc/09/11/54/562091154.db2.gz GYTUZFKOMHYOGV-AWEZNQCLSA-N -1 3 353.444 2.198 20 5 FEBDHM O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ncccc4[O-])CC3)nc2c1 ZINC000517582482 562093028 /nfs/dbraw/zinc/09/30/28/562093028.db2.gz FUSAASYDFLKOLJ-UHFFFAOYSA-N -1 3 368.397 2.284 20 5 FEBDHM O=c1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c2ccc([O-])cc2o1 ZINC000372275536 557428003 /nfs/dbraw/zinc/42/80/03/557428003.db2.gz WYGWTTOBYSLKHC-ZDUSSCGKSA-N -1 3 370.365 2.440 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000372880794 557581636 /nfs/dbraw/zinc/58/16/36/557581636.db2.gz WIXUUVDEFMGQHK-AWEZNQCLSA-N -1 3 373.394 2.089 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000373796806 557760695 /nfs/dbraw/zinc/76/06/95/557760695.db2.gz XKXNZBCHUJHSAC-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FEBDHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000375735157 558074416 /nfs/dbraw/zinc/07/44/16/558074416.db2.gz ZAJKDDZZSWFNAG-ZDUSSCGKSA-N -1 3 357.370 2.116 20 5 FEBDHM CC(=O)Nc1ccc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2c1 ZINC000522925587 562206027 /nfs/dbraw/zinc/20/60/27/562206027.db2.gz NGTVJSOIRYVWSD-UHFFFAOYSA-N -1 3 360.355 2.447 20 5 FEBDHM COc1cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000522986699 562206997 /nfs/dbraw/zinc/20/69/97/562206997.db2.gz MSNWVPKAGDOMKG-UHFFFAOYSA-N -1 3 353.338 2.496 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)c(Cl)c1 ZINC000386195186 558607061 /nfs/dbraw/zinc/60/70/61/558607061.db2.gz QPLIWNUQUMNWDU-CYBMUJFWSA-N -1 3 362.835 2.468 20 5 FEBDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc([N+](=O)[O-])cc3)cn21 ZINC000416371040 559308175 /nfs/dbraw/zinc/30/81/75/559308175.db2.gz MDVAEDNBDRLJSX-NSHDSACASA-N -1 3 350.400 2.167 20 5 FEBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416382869 559308956 /nfs/dbraw/zinc/30/89/56/559308956.db2.gz HCIRBMOUBFSYLV-QMMMGPOBSA-N -1 3 356.322 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000416400069 559310188 /nfs/dbraw/zinc/31/01/88/559310188.db2.gz FSEPOSJRDJPNAD-MWLCHTKSSA-N -1 3 368.333 2.195 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416487097 559316823 /nfs/dbraw/zinc/31/68/23/559316823.db2.gz ICAOKNTWWVULTH-LLVKDONJSA-N -1 3 368.333 2.317 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC000416510200 559318734 /nfs/dbraw/zinc/31/87/34/559318734.db2.gz HPVFTYOEWUAEMS-HNNXBMFYSA-N -1 3 368.411 2.238 20 5 FEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000416532737 559320240 /nfs/dbraw/zinc/32/02/40/559320240.db2.gz IMJIINLIOYGEHA-SCZZXKLOSA-N -1 3 368.333 2.459 20 5 FEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000416552977 559321458 /nfs/dbraw/zinc/32/14/58/559321458.db2.gz BXAXDOWIBSEIDQ-UONOGXRCSA-N -1 3 354.428 2.448 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(C)C ZINC000416615141 559325281 /nfs/dbraw/zinc/32/52/81/559325281.db2.gz GSQRVGSYYQVIDE-DGCLKSJQSA-N -1 3 350.824 2.322 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c(Cl)c1 ZINC000416628002 559326091 /nfs/dbraw/zinc/32/60/91/559326091.db2.gz FYOFCWOUEXASFI-UHFFFAOYSA-N -1 3 374.831 2.456 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)[C@H]1CC1(C)C ZINC000416641797 559327041 /nfs/dbraw/zinc/32/70/41/559327041.db2.gz DZQOLJPNHHXILV-CHWSQXEVSA-N -1 3 370.427 2.484 20 5 FEBDHM COc1cc(CNc2cc(C)n(CC(F)(F)F)n2)c([N+](=O)[O-])cc1[O-] ZINC000419836059 559461719 /nfs/dbraw/zinc/46/17/19/559461719.db2.gz XARPDWFNBHCXIR-UHFFFAOYSA-N -1 3 360.292 2.988 20 5 FEBDHM O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(=NC2CC2)[n-]1 ZINC000425933613 559725458 /nfs/dbraw/zinc/72/54/58/559725458.db2.gz VKUCWZUMHPDSME-UHFFFAOYSA-N -1 3 371.382 2.663 20 5 FEBDHM COC(=O)COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000426771002 559741614 /nfs/dbraw/zinc/74/16/14/559741614.db2.gz YELXNUOVVNEOOS-KRWDZBQOSA-N -1 3 374.349 2.062 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000427275777 559751985 /nfs/dbraw/zinc/75/19/85/559751985.db2.gz URHYAWXYXUILMM-RFIQDPTOSA-N -1 3 374.484 2.261 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c1C ZINC000428400763 559774734 /nfs/dbraw/zinc/77/47/34/559774734.db2.gz LMWPSDDLCQCYKU-ZDUSSCGKSA-N -1 3 362.407 2.363 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c(Cl)c1 ZINC000433369825 559878956 /nfs/dbraw/zinc/87/89/56/559878956.db2.gz AFKHNFRKLZSJGY-UHFFFAOYSA-N -1 3 374.846 2.469 20 5 FEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000433466976 559882425 /nfs/dbraw/zinc/88/24/25/559882425.db2.gz DHQDKKUWQQMSBD-ZDUSSCGKSA-N -1 3 372.443 2.469 20 5 FEBDHM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000433475509 559882675 /nfs/dbraw/zinc/88/26/75/559882675.db2.gz RZYAIJXKAIBURG-SNVBAGLBSA-N -1 3 364.445 2.222 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000435925798 559932508 /nfs/dbraw/zinc/93/25/08/559932508.db2.gz GWCDKKDUCRCJMK-UHFFFAOYSA-N -1 3 368.455 2.433 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000439191777 559989767 /nfs/dbraw/zinc/98/97/67/559989767.db2.gz NLBAJJVUPGLBPM-AWEZNQCLSA-N -1 3 372.443 2.423 20 5 FEBDHM COCCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2o1 ZINC000440131483 560005285 /nfs/dbraw/zinc/00/52/85/560005285.db2.gz HWHFHQUWXZIOAN-UHFFFAOYSA-N -1 3 358.310 2.278 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)no1 ZINC000443149726 560072643 /nfs/dbraw/zinc/07/26/43/560072643.db2.gz YGEYEAJMECUXRB-UHFFFAOYSA-N -1 3 368.415 2.316 20 5 FEBDHM O=C(Nc1ccc(CN2CCCC2=O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445177487 560130329 /nfs/dbraw/zinc/13/03/29/560130329.db2.gz CEQUHHVBCZIJEW-UHFFFAOYSA-N -1 3 356.338 2.070 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)CNc3ccccc3[N+](=O)[O-])[n-]c21 ZINC000446839745 560152601 /nfs/dbraw/zinc/15/26/01/560152601.db2.gz UUMNGEHDDOTACL-UHFFFAOYSA-N -1 3 369.337 2.308 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)CNc3ccccc3[N+](=O)[O-])nc21 ZINC000446839745 560152602 /nfs/dbraw/zinc/15/26/02/560152602.db2.gz UUMNGEHDDOTACL-UHFFFAOYSA-N -1 3 369.337 2.308 20 5 FEBDHM Cn1cc([C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000449456507 560230846 /nfs/dbraw/zinc/23/08/46/560230846.db2.gz CTWALHZCTFZBSM-KRWDZBQOSA-N -1 3 372.425 2.430 20 5 FEBDHM COc1cc(CNCc2nn(C)cc2Br)c([N+](=O)[O-])cc1[O-] ZINC000449482055 560231562 /nfs/dbraw/zinc/23/15/62/560231562.db2.gz ABOFEFLQUYWTMY-UHFFFAOYSA-N -1 3 371.191 2.095 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451868219 560333484 /nfs/dbraw/zinc/33/34/84/560333484.db2.gz ZQFWCEVVRXRUQZ-CJNGLKHVSA-N -1 3 374.459 2.171 20 5 FEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000451944880 560339813 /nfs/dbraw/zinc/33/98/13/560339813.db2.gz HBPBEESJWHIIPH-GZMMTYOYSA-N -1 3 356.791 2.429 20 5 FEBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000466746624 560894277 /nfs/dbraw/zinc/89/42/77/560894277.db2.gz WEKWLEMTPYBNFG-YUMQZZPRSA-N -1 3 367.221 2.059 20 5 FEBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)nc2c1 ZINC000466905435 560898876 /nfs/dbraw/zinc/89/88/76/560898876.db2.gz FVLNUXOOEUXHRN-UHFFFAOYSA-N -1 3 352.397 2.320 20 5 FEBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)[nH]c2c1 ZINC000466905435 560898877 /nfs/dbraw/zinc/89/88/77/560898877.db2.gz FVLNUXOOEUXHRN-UHFFFAOYSA-N -1 3 352.397 2.320 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467054195 560902449 /nfs/dbraw/zinc/90/24/49/560902449.db2.gz QPCQPYLFEVDXIG-QMMMGPOBSA-N -1 3 364.445 2.363 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000467256474 560907301 /nfs/dbraw/zinc/90/73/01/560907301.db2.gz UCYSXCWJIACSPQ-JTQLQIEISA-N -1 3 370.408 2.083 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000467426164 560909875 /nfs/dbraw/zinc/90/98/75/560909875.db2.gz VGHIGYFMCCDHEJ-UHFFFAOYSA-N -1 3 368.436 2.421 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(C)(C)C ZINC000468996411 560944398 /nfs/dbraw/zinc/94/43/98/560944398.db2.gz MMOMFRBJXOICKH-ZDUSSCGKSA-N -1 3 358.416 2.484 20 5 FEBDHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616746 560985835 /nfs/dbraw/zinc/98/58/35/560985835.db2.gz DYXGSTZQQZLVDD-UPJWGTAASA-N -1 3 373.450 2.379 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535737809 562566101 /nfs/dbraw/zinc/56/61/01/562566101.db2.gz XWZOFLIQIIXBOY-UHFFFAOYSA-N -1 3 369.377 2.221 20 5 FEBDHM CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568627383 568100562 /nfs/dbraw/zinc/10/05/62/568100562.db2.gz ZHWGGEMXWJIOOD-HDIHMHJESA-N -1 3 369.805 2.425 20 5 FEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000736041514 598883186 /nfs/dbraw/zinc/88/31/86/598883186.db2.gz XCHYRJIEMKEEPH-LLVKDONJSA-N -1 3 369.337 2.399 20 5 FEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000736041514 598883187 /nfs/dbraw/zinc/88/31/87/598883187.db2.gz XCHYRJIEMKEEPH-LLVKDONJSA-N -1 3 369.337 2.399 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c2nonc21 ZINC000823639435 599071012 /nfs/dbraw/zinc/07/10/12/599071012.db2.gz AGGNVGYURDKIAN-UHFFFAOYSA-N -1 3 356.277 2.062 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c2nonc21 ZINC000823639435 599071015 /nfs/dbraw/zinc/07/10/15/599071015.db2.gz AGGNVGYURDKIAN-UHFFFAOYSA-N -1 3 356.277 2.062 20 5 FEBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000738366122 599160341 /nfs/dbraw/zinc/16/03/41/599160341.db2.gz DDYXBKRJMHVFSR-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000738366122 599160343 /nfs/dbraw/zinc/16/03/43/599160343.db2.gz DDYXBKRJMHVFSR-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822213116 599164507 /nfs/dbraw/zinc/16/45/07/599164507.db2.gz VOLHFUVBQPDODB-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822213116 599164509 /nfs/dbraw/zinc/16/45/09/599164509.db2.gz VOLHFUVBQPDODB-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737023974 599180300 /nfs/dbraw/zinc/18/03/00/599180300.db2.gz IHQFYKBISJEJSP-UHFFFAOYSA-N -1 3 355.310 2.311 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737023974 599180301 /nfs/dbraw/zinc/18/03/01/599180301.db2.gz IHQFYKBISJEJSP-UHFFFAOYSA-N -1 3 355.310 2.311 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737368445 599187273 /nfs/dbraw/zinc/18/72/73/599187273.db2.gz JZRZESCQPCUJSE-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737368445 599187275 /nfs/dbraw/zinc/18/72/75/599187275.db2.gz JZRZESCQPCUJSE-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1c(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cccc1[N+](=O)[O-] ZINC000822115578 607262894 /nfs/dbraw/zinc/26/28/94/607262894.db2.gz GBMMPWPEYDXMBP-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1c(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cccc1[N+](=O)[O-] ZINC000822115578 607262895 /nfs/dbraw/zinc/26/28/95/607262895.db2.gz GBMMPWPEYDXMBP-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM CCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821426669 607332015 /nfs/dbraw/zinc/33/20/15/607332015.db2.gz FMQMAJALHYWLCA-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM CCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821426669 607332016 /nfs/dbraw/zinc/33/20/16/607332016.db2.gz FMQMAJALHYWLCA-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000736739556 598310163 /nfs/dbraw/zinc/31/01/63/598310163.db2.gz QJPMJFLVQLRPKO-UHFFFAOYSA-N -1 3 356.317 2.120 20 5 FEBDHM CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000736739556 598310165 /nfs/dbraw/zinc/31/01/65/598310165.db2.gz QJPMJFLVQLRPKO-UHFFFAOYSA-N -1 3 356.317 2.120 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000738318704 598380535 /nfs/dbraw/zinc/38/05/35/598380535.db2.gz LYENMJXXUPXXAN-NTEUORMPSA-N -1 3 362.305 2.119 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000738318704 598380537 /nfs/dbraw/zinc/38/05/37/598380537.db2.gz LYENMJXXUPXXAN-NTEUORMPSA-N -1 3 362.305 2.119 20 5 FEBDHM COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000737016324 598499572 /nfs/dbraw/zinc/49/95/72/598499572.db2.gz WESUMVYTOQEQJK-UHFFFAOYSA-N -1 3 371.357 2.247 20 5 FEBDHM COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000737016324 598499574 /nfs/dbraw/zinc/49/95/74/598499574.db2.gz WESUMVYTOQEQJK-UHFFFAOYSA-N -1 3 371.357 2.247 20 5 FEBDHM Cc1sc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826349605 607362458 /nfs/dbraw/zinc/36/24/58/607362458.db2.gz NVLXWVNYRATCOC-UHFFFAOYSA-N -1 3 373.350 2.185 20 5 FEBDHM Cc1sc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826349605 607362459 /nfs/dbraw/zinc/36/24/59/607362459.db2.gz NVLXWVNYRATCOC-UHFFFAOYSA-N -1 3 373.350 2.185 20 5 FEBDHM C[C@@H](c1ccccc1)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736203266 598627954 /nfs/dbraw/zinc/62/79/54/598627954.db2.gz LZMQFLFLPOASAE-XHDPSFHLSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@@H](c1ccccc1)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736203266 598627956 /nfs/dbraw/zinc/62/79/56/598627956.db2.gz LZMQFLFLPOASAE-XHDPSFHLSA-N -1 3 354.370 2.351 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2nc3cc(Cl)ccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000738374509 598680338 /nfs/dbraw/zinc/68/03/38/598680338.db2.gz PQTUXSIXEOURBZ-UHFFFAOYSA-N -1 3 371.748 2.312 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1F ZINC000738230760 598708823 /nfs/dbraw/zinc/70/88/23/598708823.db2.gz JIMYSXRONLRSKO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1F ZINC000738230760 598708825 /nfs/dbraw/zinc/70/88/25/598708825.db2.gz JIMYSXRONLRSKO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736299820 598735698 /nfs/dbraw/zinc/73/56/98/598735698.db2.gz VAKZRPAELXDZMX-NSHDSACASA-N -1 3 364.365 2.295 20 5 FEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736299820 598735699 /nfs/dbraw/zinc/73/56/99/598735699.db2.gz VAKZRPAELXDZMX-NSHDSACASA-N -1 3 364.365 2.295 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(F)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736951302 598752041 /nfs/dbraw/zinc/75/20/41/598752041.db2.gz QYLQHVXQLYFTJG-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(F)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736951302 598752042 /nfs/dbraw/zinc/75/20/42/598752042.db2.gz QYLQHVXQLYFTJG-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737128772 598795825 /nfs/dbraw/zinc/79/58/25/598795825.db2.gz HWGCJZJUHMLNKW-JTQLQIEISA-N -1 3 355.358 2.222 20 5 FEBDHM COc1cccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737128772 598795826 /nfs/dbraw/zinc/79/58/26/598795826.db2.gz HWGCJZJUHMLNKW-JTQLQIEISA-N -1 3 355.358 2.222 20 5 FEBDHM C[C@@H]1Oc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2NC1=O ZINC000820819974 599369597 /nfs/dbraw/zinc/36/95/97/599369597.db2.gz LPRXJVLFPTUZQC-QMMMGPOBSA-N -1 3 367.325 2.238 20 5 FEBDHM C[C@@H]1Oc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2NC1=O ZINC000820819974 599369598 /nfs/dbraw/zinc/36/95/98/599369598.db2.gz LPRXJVLFPTUZQC-QMMMGPOBSA-N -1 3 367.325 2.238 20 5 FEBDHM COC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821683480 599587583 /nfs/dbraw/zinc/58/75/83/599587583.db2.gz BNGWXWQLJDBXJV-CQSZACIVSA-N -1 3 357.374 2.406 20 5 FEBDHM COC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821683480 599587585 /nfs/dbraw/zinc/58/75/85/599587585.db2.gz BNGWXWQLJDBXJV-CQSZACIVSA-N -1 3 357.374 2.406 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000821745388 607415538 /nfs/dbraw/zinc/41/55/38/607415538.db2.gz SYMJCNRPDJDMRI-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000821745388 607415541 /nfs/dbraw/zinc/41/55/41/607415541.db2.gz SYMJCNRPDJDMRI-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826422787 607426324 /nfs/dbraw/zinc/42/63/24/607426324.db2.gz MBLYUQNVOZQUBZ-UHFFFAOYSA-N -1 3 364.365 2.123 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826422787 607426325 /nfs/dbraw/zinc/42/63/25/607426325.db2.gz MBLYUQNVOZQUBZ-UHFFFAOYSA-N -1 3 364.365 2.123 20 5 FEBDHM O=C([O-])CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(F)c1 ZINC000575755595 601375913 /nfs/dbraw/zinc/37/59/13/601375913.db2.gz VNZBELHANJVCEM-UHFFFAOYSA-N -1 3 354.313 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N(CCCCO)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499536 607521517 /nfs/dbraw/zinc/52/15/17/607521517.db2.gz MNEHSLIVZQYYRI-UHFFFAOYSA-N -1 3 369.385 2.064 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N(CCCCO)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499536 607521519 /nfs/dbraw/zinc/52/15/19/607521519.db2.gz MNEHSLIVZQYYRI-UHFFFAOYSA-N -1 3 369.385 2.064 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000740097941 601974431 /nfs/dbraw/zinc/97/44/31/601974431.db2.gz KFDSLWSQMHROAR-CQSZACIVSA-N -1 3 364.402 2.306 20 5 FEBDHM O=C([O-])NC[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000740614302 603072878 /nfs/dbraw/zinc/07/28/78/603072878.db2.gz PJUNSNUTNWUWNE-LLVKDONJSA-N -1 3 358.192 2.493 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(F)n3)cc(-c3nnn[n-]3)c2c1 ZINC000826499368 607682202 /nfs/dbraw/zinc/68/22/02/607682202.db2.gz GHNYCJZWQQWWFT-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(F)n3)cc(-c3nn[n-]n3)c2c1 ZINC000826499368 607682203 /nfs/dbraw/zinc/68/22/03/607682203.db2.gz GHNYCJZWQQWWFT-UHFFFAOYSA-N -1 3 366.316 2.469 20 5 FEBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824392833 607732894 /nfs/dbraw/zinc/73/28/94/607732894.db2.gz OUYOVTAUMCAARV-KCJUWKMLSA-N -1 3 361.387 2.156 20 5 FEBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824392833 607732895 /nfs/dbraw/zinc/73/28/95/607732895.db2.gz OUYOVTAUMCAARV-KCJUWKMLSA-N -1 3 361.387 2.156 20 5 FEBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824392834 607733286 /nfs/dbraw/zinc/73/32/86/607733286.db2.gz OUYOVTAUMCAARV-KWQFWETISA-N -1 3 361.387 2.156 20 5 FEBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824392834 607733288 /nfs/dbraw/zinc/73/32/88/607733288.db2.gz OUYOVTAUMCAARV-KWQFWETISA-N -1 3 361.387 2.156 20 5 FEBDHM O=C([O-])N1CCC[C@H]1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834106283 606027988 /nfs/dbraw/zinc/02/79/88/606027988.db2.gz IVVMNIHGTKJWNN-IRXDYDNUSA-N -1 3 363.414 2.483 20 5 FEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823547204 606244178 /nfs/dbraw/zinc/24/41/78/606244178.db2.gz GWRHJKVNJCRPJP-SDQBBNPISA-N -1 3 368.334 2.181 20 5 FEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823547204 606244179 /nfs/dbraw/zinc/24/41/79/606244179.db2.gz GWRHJKVNJCRPJP-SDQBBNPISA-N -1 3 368.334 2.181 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823261191 606348415 /nfs/dbraw/zinc/34/84/15/606348415.db2.gz FJWRJWQUMDYWDV-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823261191 606348417 /nfs/dbraw/zinc/34/84/17/606348417.db2.gz FJWRJWQUMDYWDV-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1cccc(F)c1 ZINC000820462294 606425902 /nfs/dbraw/zinc/42/59/02/606425902.db2.gz XAXJPVUUPKNRLX-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1cccc(F)c1 ZINC000820462294 606425904 /nfs/dbraw/zinc/42/59/04/606425904.db2.gz XAXJPVUUPKNRLX-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCc2nc3cc(F)ccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823640015 606439419 /nfs/dbraw/zinc/43/94/19/606439419.db2.gz PIXPSCUXIWXRSE-UHFFFAOYSA-N -1 3 368.332 2.445 20 5 FEBDHM CC(C)(NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819988264 606545191 /nfs/dbraw/zinc/54/51/91/606545191.db2.gz VYNPXHFGIOWESI-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM CC(C)(NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819988264 606545193 /nfs/dbraw/zinc/54/51/93/606545193.db2.gz VYNPXHFGIOWESI-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM CC(C)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987749 606545660 /nfs/dbraw/zinc/54/56/60/606545660.db2.gz JUQARJKHILSHGN-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM CC(C)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987749 606545661 /nfs/dbraw/zinc/54/56/61/606545661.db2.gz JUQARJKHILSHGN-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823430928 606561664 /nfs/dbraw/zinc/56/16/64/606561664.db2.gz MEZJGCUJSBZSJR-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823430928 606561666 /nfs/dbraw/zinc/56/16/66/606561666.db2.gz MEZJGCUJSBZSJR-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CC[C@H](CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820902426 606724608 /nfs/dbraw/zinc/72/46/08/606724608.db2.gz KZFWUSYKDAEJKU-SNVBAGLBSA-N -1 3 357.374 2.144 20 5 FEBDHM CC[C@H](CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820902426 606724610 /nfs/dbraw/zinc/72/46/10/606724610.db2.gz KZFWUSYKDAEJKU-SNVBAGLBSA-N -1 3 357.374 2.144 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccccc1-c1nnn[n-]1 ZINC000822982717 606748464 /nfs/dbraw/zinc/74/84/64/606748464.db2.gz HDAUDNNDQZFUEU-UHFFFAOYSA-N -1 3 353.338 2.451 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccccc1-c1nn[n-]n1 ZINC000822982717 606748466 /nfs/dbraw/zinc/74/84/66/606748466.db2.gz HDAUDNNDQZFUEU-UHFFFAOYSA-N -1 3 353.338 2.451 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823054659 606990899 /nfs/dbraw/zinc/99/08/99/606990899.db2.gz CHSDGXMICUUPPT-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823054659 606990900 /nfs/dbraw/zinc/99/09/00/606990900.db2.gz CHSDGXMICUUPPT-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821668040 607008720 /nfs/dbraw/zinc/00/87/20/607008720.db2.gz MEKGINMWMPNBIJ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821668040 607008722 /nfs/dbraw/zinc/00/87/22/607008722.db2.gz MEKGINMWMPNBIJ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[C@@H]2COc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000823639732 607038983 /nfs/dbraw/zinc/03/89/83/607038983.db2.gz GLNCDYMTGQEVCL-GFCCVEGCSA-N -1 3 368.353 2.417 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[C@@H]2COc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000823639732 607038984 /nfs/dbraw/zinc/03/89/84/607038984.db2.gz GLNCDYMTGQEVCL-GFCCVEGCSA-N -1 3 368.353 2.417 20 5 FEBDHM O=[N+]([O-])c1cnn(CCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000823651782 607175911 /nfs/dbraw/zinc/17/59/11/607175911.db2.gz QGSXAOCXWUJGPG-UHFFFAOYSA-N -1 3 368.279 2.102 20 5 FEBDHM O=[N+]([O-])c1cnn(CCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000823651782 607175912 /nfs/dbraw/zinc/17/59/12/607175912.db2.gz QGSXAOCXWUJGPG-UHFFFAOYSA-N -1 3 368.279 2.102 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN2CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826499875 607958220 /nfs/dbraw/zinc/95/82/20/607958220.db2.gz BRPFYBNJCNFTLZ-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826293357 608052269 /nfs/dbraw/zinc/05/22/69/608052269.db2.gz LYTYYCJPECBTQA-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826293357 608052270 /nfs/dbraw/zinc/05/22/70/608052270.db2.gz LYTYYCJPECBTQA-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM CC[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180659 608160898 /nfs/dbraw/zinc/16/08/98/608160898.db2.gz AAMXBSFXMMCXBP-KWQFWETISA-N -1 3 366.765 2.324 20 5 FEBDHM CC[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180659 608160899 /nfs/dbraw/zinc/16/08/99/608160899.db2.gz AAMXBSFXMMCXBP-KWQFWETISA-N -1 3 366.765 2.324 20 5 FEBDHM C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824705852 608183000 /nfs/dbraw/zinc/18/30/00/608183000.db2.gz FPJSUPIVLOMNGV-SNVBAGLBSA-N -1 3 371.357 2.011 20 5 FEBDHM C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824705852 608183001 /nfs/dbraw/zinc/18/30/01/608183001.db2.gz FPJSUPIVLOMNGV-SNVBAGLBSA-N -1 3 371.357 2.011 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cccc(-c3nnn[n-]3)c1F)C2 ZINC000826500147 608416298 /nfs/dbraw/zinc/41/62/98/608416298.db2.gz MVEPNRWOLSQBFC-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cccc(-c3nn[n-]n3)c1F)C2 ZINC000826500147 608416300 /nfs/dbraw/zinc/41/63/00/608416300.db2.gz MVEPNRWOLSQBFC-UHFFFAOYSA-N -1 3 354.345 2.472 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826501030 608498602 /nfs/dbraw/zinc/49/86/02/608498602.db2.gz WKKNSNNLLIWUFA-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826501030 608498603 /nfs/dbraw/zinc/49/86/03/608498603.db2.gz WKKNSNNLLIWUFA-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM C[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824562264 608563184 /nfs/dbraw/zinc/56/31/84/608563184.db2.gz DMIQXELOXAUYTG-LLVKDONJSA-N -1 3 367.369 2.064 20 5 FEBDHM Cc1cccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000826296266 609283279 /nfs/dbraw/zinc/28/32/79/609283279.db2.gz POODSIMVJXTQOR-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000826162899 609484345 /nfs/dbraw/zinc/48/43/45/609484345.db2.gz XEJVZEDDUADOKI-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000826162899 609484346 /nfs/dbraw/zinc/48/43/46/609484346.db2.gz XEJVZEDDUADOKI-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000562231816 674731206 /nfs/dbraw/zinc/73/12/06/674731206.db2.gz ZZUHNPIUFSISQQ-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](c2cccs2)N(C)C)n1 ZINC000571213711 670836242 /nfs/dbraw/zinc/83/62/42/670836242.db2.gz KYVCIVMJFWIVCT-LLVKDONJSA-N -1 3 350.400 2.773 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000610590531 675983172 /nfs/dbraw/zinc/98/31/72/675983172.db2.gz RVCQSRFGOXJQNQ-UHFFFAOYSA-N -1 3 368.367 2.151 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)c(Cl)c1 ZINC000159108639 672277493 /nfs/dbraw/zinc/27/74/93/672277493.db2.gz XSVTYRIPIRZVOR-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000175691241 672369819 /nfs/dbraw/zinc/36/98/19/672369819.db2.gz UDFOQXWKAJKGDS-UHFFFAOYSA-N -1 3 367.358 2.203 20 5 FEBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592084858 672751223 /nfs/dbraw/zinc/75/12/23/672751223.db2.gz XSRLAZGMEVXBLA-KOLCDFICSA-N -1 3 350.824 2.324 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000194345795 672757141 /nfs/dbraw/zinc/75/71/41/672757141.db2.gz QHQVBARMSKTBLP-RYUDHWBXSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593535127 672936282 /nfs/dbraw/zinc/93/62/82/672936282.db2.gz HZNCHPRMKRADHC-ZDUSSCGKSA-N -1 3 365.411 2.352 20 5 FEBDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593539722 672937470 /nfs/dbraw/zinc/93/74/70/672937470.db2.gz XDTLVZNWCATEID-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000593542345 672938414 /nfs/dbraw/zinc/93/84/14/672938414.db2.gz JAYWGXSWZDMNGE-UHFFFAOYSA-N -1 3 353.375 2.385 20 5 FEBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000593554048 672941297 /nfs/dbraw/zinc/94/12/97/672941297.db2.gz XJTVYMIXTSQDLI-CYBMUJFWSA-N -1 3 356.429 2.358 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(C)nn(C)c1C ZINC000462627301 673270148 /nfs/dbraw/zinc/27/01/48/673270148.db2.gz ZKSMWZFIAVEWCF-SNVBAGLBSA-N -1 3 358.445 2.436 20 5 FEBDHM Cn1c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000735924269 673508086 /nfs/dbraw/zinc/50/80/86/673508086.db2.gz QSYUTONGTIYZGW-UHFFFAOYSA-N -1 3 364.358 2.099 20 5 FEBDHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000539955028 673515724 /nfs/dbraw/zinc/51/57/24/673515724.db2.gz KLBCZEYECBFWKC-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000539955028 673515726 /nfs/dbraw/zinc/51/57/26/673515726.db2.gz KLBCZEYECBFWKC-UHFFFAOYSA-N -1 3 350.356 2.469 20 5 FEBDHM Cc1ncc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000542387592 673578802 /nfs/dbraw/zinc/57/88/02/673578802.db2.gz SVNQSIDPYIIINY-UHFFFAOYSA-N -1 3 367.159 2.091 20 5 FEBDHM Cc1ncc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000544266222 673701502 /nfs/dbraw/zinc/70/15/02/673701502.db2.gz XXGOWMRMDXTIML-UHFFFAOYSA-N -1 3 356.260 2.348 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)c(F)cc1[N+](=O)[O-] ZINC000820786711 675387875 /nfs/dbraw/zinc/38/78/75/675387875.db2.gz SKIXQYIGXOOOSD-UHFFFAOYSA-N -1 3 374.390 2.006 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)c1cccc(F)c1 ZINC000751488793 680182446 /nfs/dbraw/zinc/18/24/46/680182446.db2.gz WDFRRCWFITXSPX-RFAUZJTJSA-N -1 3 372.349 2.273 20 5 FEBDHM CCON(C)C(=O)C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000845717018 681147962 /nfs/dbraw/zinc/14/79/62/681147962.db2.gz YHKPQPJRENTRKA-UHFFFAOYSA-N -1 3 366.252 2.344 20 5 FEBDHM O=C([N-]OC1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000775247330 681289807 /nfs/dbraw/zinc/28/98/07/681289807.db2.gz FCUOWRBGPQUUDN-UHFFFAOYSA-N -1 3 363.139 2.337 20 5 FEBDHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227962 683325790 /nfs/dbraw/zinc/32/57/90/683325790.db2.gz BKSPMPNCOGZLSN-SECBINFHSA-N -1 3 367.830 2.396 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC23CCOCC3)c([N+](=O)[O-])s1 ZINC000867776347 684380899 /nfs/dbraw/zinc/38/08/99/684380899.db2.gz MGEWNZNJEBETRU-LLVKDONJSA-N -1 3 360.457 2.450 20 5 FEBDHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000872653433 684996256 /nfs/dbraw/zinc/99/62/56/684996256.db2.gz HSHOJCXFPSYHDO-AWAWDMARSA-N -1 3 360.819 2.484 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000010516469 539518007 /nfs/dbraw/zinc/51/80/07/539518007.db2.gz JADCLHUXFUVDGW-UHFFFAOYSA-N -1 3 357.338 2.263 20 5 FEBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c[n-]c2ccccc2c1=O ZINC000025268563 539752599 /nfs/dbraw/zinc/75/25/99/539752599.db2.gz CIUMUHCEEORMSH-UHFFFAOYSA-N -1 3 352.350 2.278 20 5 FEBDHM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccn1 ZINC000029392444 539852307 /nfs/dbraw/zinc/85/23/07/539852307.db2.gz YQJAHRKIKBLFHW-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ccc1[N+](=O)[O-] ZINC000046409239 540255673 /nfs/dbraw/zinc/25/56/73/540255673.db2.gz XWOALEHKDNBRHP-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM COC(=O)COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000047181274 540294628 /nfs/dbraw/zinc/29/46/28/540294628.db2.gz JARXCPNDWJDRET-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM COC(=O)c1cncc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000534312518 540351582 /nfs/dbraw/zinc/35/15/82/540351582.db2.gz CZJAKBNAOALKHZ-UHFFFAOYSA-N -1 3 367.321 2.419 20 5 FEBDHM O=C(Nc1cccc(N2CCNC2=O)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000053417713 540533876 /nfs/dbraw/zinc/53/38/76/540533876.db2.gz ATALMCAEIDKBNY-UHFFFAOYSA-N -1 3 366.337 2.253 20 5 FEBDHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000056954353 540757471 /nfs/dbraw/zinc/75/74/71/540757471.db2.gz NWUMANDQEDLPDH-GFCCVEGCSA-N -1 3 356.342 2.099 20 5 FEBDHM CC[C@H](C)n1nc([N-]c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000540491707 541066695 /nfs/dbraw/zinc/06/66/95/541066695.db2.gz LUMHJJFNFAKJDH-VIFPVBQESA-N -1 3 353.404 2.462 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1C ZINC000067540423 541477237 /nfs/dbraw/zinc/47/72/37/541477237.db2.gz HEMULIARFKAZHZ-UHFFFAOYSA-N -1 3 351.340 2.407 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000069870191 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3 363.337 2.186 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000123194297 543747952 /nfs/dbraw/zinc/74/79/52/543747952.db2.gz KNQFYTRHKWTTAR-HNNXBMFYSA-N -1 3 350.396 2.305 20 5 FEBDHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000127037126 543969864 /nfs/dbraw/zinc/96/98/64/543969864.db2.gz VVIRRNAQYXJFCF-UHFFFAOYSA-N -1 3 367.297 2.217 20 5 FEBDHM Cc1ccn(Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(=O)c1[N+](=O)[O-] ZINC000129561132 544118320 /nfs/dbraw/zinc/11/83/20/544118320.db2.gz NDUTTZQRFLXIKF-UHFFFAOYSA-N -1 3 372.406 2.290 20 5 FEBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000130068530 544137435 /nfs/dbraw/zinc/13/74/35/544137435.db2.gz SCZYSCLTKPLHJR-UHFFFAOYSA-N -1 3 352.397 2.320 20 5 FEBDHM CN(C)Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000134894066 544325866 /nfs/dbraw/zinc/32/58/66/544325866.db2.gz KTFFKYASKDAPAJ-UHFFFAOYSA-N -1 3 367.402 2.274 20 5 FEBDHM Cc1c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cnn1C 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COC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163394263 327050661 /nfs/dbraw/zinc/05/06/61/327050661.db2.gz CWULVCCSMTXOFQ-UHFFFAOYSA-N -1 3 356.322 2.317 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000266711201 329251936 /nfs/dbraw/zinc/25/19/36/329251936.db2.gz HMWZHBUDORVFRA-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000268949268 329471197 /nfs/dbraw/zinc/47/11/97/329471197.db2.gz DWCQYPNUCWBXIY-LBPRGKRZSA-N -1 3 370.427 2.374 20 5 FEBDHM COc1cccc([C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N(C)C)c1 ZINC000269159357 329491587 /nfs/dbraw/zinc/49/15/87/329491587.db2.gz WWERVPMQZCDGJU-QGZVFWFLSA-N -1 3 359.382 2.342 20 5 FEBDHM CCOC1CC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000276399892 330148861 /nfs/dbraw/zinc/14/88/61/330148861.db2.gz ABGOHTLBKPUFRQ-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000276405234 330149303 /nfs/dbraw/zinc/14/93/03/330149303.db2.gz ASLFRMVSIDBMLD-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000804623473 674294151 /nfs/dbraw/zinc/29/41/51/674294151.db2.gz PKRYIONFRPOPDN-UHFFFAOYSA-N -1 3 359.264 2.439 20 5 FEBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000805049053 674315408 /nfs/dbraw/zinc/31/54/08/674315408.db2.gz VIGIMZMWMFBPLY-UHFFFAOYSA-N -1 3 359.766 2.303 20 5 FEBDHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000478160106 561161125 /nfs/dbraw/zinc/16/11/25/561161125.db2.gz YARYSFVOIQEYCY-GFCCVEGCSA-N -1 3 358.416 2.078 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1c(C)noc1C ZINC000159834471 545985251 /nfs/dbraw/zinc/98/52/51/545985251.db2.gz XMQRWVCVBHZJNQ-VIFPVBQESA-N -1 3 369.399 2.118 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000159965313 545996345 /nfs/dbraw/zinc/99/63/45/545996345.db2.gz SNGXHYPMINESFD-SNVBAGLBSA-N -1 3 357.413 2.490 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c(Cl)c1 ZINC000161052208 546096161 /nfs/dbraw/zinc/09/61/61/546096161.db2.gz NGANSKIPVJZTJY-ZDUSSCGKSA-N -1 3 370.814 2.130 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(N(C)C)n2)c1C ZINC000167877551 546158516 /nfs/dbraw/zinc/15/85/16/546158516.db2.gz VSMYKAQKJGBYIO-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM Cc1c(CNC(=O)NCc2nnc(C(F)(F)F)[n-]2)cccc1[N+](=O)[O-] ZINC000479761280 561196466 /nfs/dbraw/zinc/19/64/66/561196466.db2.gz AJFDCHVXEIRVTH-UHFFFAOYSA-N -1 3 358.280 2.040 20 5 FEBDHM Cc1c(CNC(=O)NCc2n[n-]c(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000479761280 561196467 /nfs/dbraw/zinc/19/64/67/561196467.db2.gz AJFDCHVXEIRVTH-UHFFFAOYSA-N -1 3 358.280 2.040 20 5 FEBDHM Cc1c(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cccc1[N+](=O)[O-] ZINC000479761280 561196468 /nfs/dbraw/zinc/19/64/68/561196468.db2.gz AJFDCHVXEIRVTH-UHFFFAOYSA-N -1 3 358.280 2.040 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC000480705889 561214766 /nfs/dbraw/zinc/21/47/66/561214766.db2.gz DXSLZWNCHDNXQU-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c1[N+](=O)[O-] ZINC000480682513 561214199 /nfs/dbraw/zinc/21/41/99/561214199.db2.gz ORNWZTLRMVVQPI-GFCCVEGCSA-N -1 3 356.425 2.285 20 5 FEBDHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480948975 561220956 /nfs/dbraw/zinc/22/09/56/561220956.db2.gz GTOVZWRYIUYVTF-GFCCVEGCSA-N -1 3 358.416 2.078 20 5 FEBDHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989636 561222233 /nfs/dbraw/zinc/22/22/33/561222233.db2.gz IKQGTXSJBWHDMU-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)c1[N+](=O)[O-] ZINC000481062349 561224272 /nfs/dbraw/zinc/22/42/72/561224272.db2.gz SFDQMCGTTQYGDD-JTQLQIEISA-N -1 3 370.349 2.457 20 5 FEBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182476863 547500593 /nfs/dbraw/zinc/50/05/93/547500593.db2.gz GOTJCNFTNSTWNP-VIFPVBQESA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c(F)c1 ZINC000186277429 548111776 /nfs/dbraw/zinc/11/17/76/548111776.db2.gz NSSWFNUDLLXXLV-UHFFFAOYSA-N -1 3 360.407 2.345 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000491246826 561444053 /nfs/dbraw/zinc/44/40/53/561444053.db2.gz KUBYIIRIWGQESD-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000268440343 550065577 /nfs/dbraw/zinc/06/55/77/550065577.db2.gz CTOBSRRLNFFZTQ-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000271726968 550397731 /nfs/dbraw/zinc/39/77/31/550397731.db2.gz UPIZDWRDGUYPAO-BXUZGUMPSA-N -1 3 358.416 2.085 20 5 FEBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000276931681 550612357 /nfs/dbraw/zinc/61/23/57/550612357.db2.gz MLNNGVBBAWXTKO-ZJUUUORDSA-N -1 3 353.404 2.266 20 5 FEBDHM CN(C)C(=O)Cn1ccc([N-]c2cc(C(F)(F)F)ncc2[N+](=O)[O-])n1 ZINC000278392863 550780394 /nfs/dbraw/zinc/78/03/94/550780394.db2.gz MKTHBDOCWAMMFY-UHFFFAOYSA-N -1 3 358.280 2.037 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(F)(F)F)cc1C ZINC000497773592 561508447 /nfs/dbraw/zinc/50/84/47/561508447.db2.gz JSUHJISMPIFGET-UHFFFAOYSA-N -1 3 356.322 2.069 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000283970512 551459544 /nfs/dbraw/zinc/45/95/44/551459544.db2.gz GYDRMCRCQILDGW-UHFFFAOYSA-N -1 3 364.305 2.321 20 5 FEBDHM CC(C)(C)c1nnc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC000285220332 551722648 /nfs/dbraw/zinc/72/26/48/551722648.db2.gz WRVHWNWIXNQIGG-UHFFFAOYSA-N -1 3 360.342 2.263 20 5 FEBDHM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000285220332 551722650 /nfs/dbraw/zinc/72/26/50/551722650.db2.gz WRVHWNWIXNQIGG-UHFFFAOYSA-N -1 3 360.342 2.263 20 5 FEBDHM C[C@]1(C[C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)NC(=O)[N-]C1=O ZINC000286225335 551863243 /nfs/dbraw/zinc/86/32/43/551863243.db2.gz CIEKDOODYSITOD-ADLMAVQZSA-N -1 3 369.381 2.100 20 5 FEBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000289553536 552339840 /nfs/dbraw/zinc/33/98/40/552339840.db2.gz NFFPWNSKFOGYHZ-HTQZYQBOSA-N -1 3 367.221 2.059 20 5 FEBDHM Cn1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])nc1Cl ZINC000291867084 552669862 /nfs/dbraw/zinc/66/98/62/552669862.db2.gz JKMQHDKGFPZIKF-UHFFFAOYSA-N -1 3 358.807 2.195 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000293932955 552869062 /nfs/dbraw/zinc/86/90/62/552869062.db2.gz YZFQIPNOCNKVFF-LLVKDONJSA-N -1 3 368.333 2.317 20 5 FEBDHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000295338780 552990184 /nfs/dbraw/zinc/99/01/84/552990184.db2.gz ZZDGRPSZZDRHNN-UHFFFAOYSA-N -1 3 355.441 2.033 20 5 FEBDHM C[C@]1(C[C@@H]2CCCN2c2nccc3cc([N+](=O)[O-])ccc32)NC(=O)[N-]C1=O ZINC000295644441 553038371 /nfs/dbraw/zinc/03/83/71/553038371.db2.gz FEPORPZHSVHUGG-SCLBCKFNSA-N -1 3 369.381 2.100 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H](O)C(F)F ZINC000295662934 553041500 /nfs/dbraw/zinc/04/15/00/553041500.db2.gz GJIGOPUUDSQABY-KCJUWKMLSA-N -1 3 372.777 2.240 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](O)C(F)F ZINC000295662932 553041520 /nfs/dbraw/zinc/04/15/20/553041520.db2.gz GJIGOPUUDSQABY-GZMMTYOYSA-N -1 3 372.777 2.240 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)cc1C ZINC000299036865 553506815 /nfs/dbraw/zinc/50/68/15/553506815.db2.gz MNKGSTSYZUJNPM-UHFFFAOYSA-N -1 3 370.427 2.176 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCCCC1 ZINC000331059794 554207665 /nfs/dbraw/zinc/20/76/65/554207665.db2.gz BJNCAIOYERQVGJ-UHFFFAOYSA-N -1 3 370.427 2.366 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2nccn2C)C2CC2)c1C ZINC000510434460 561834556 /nfs/dbraw/zinc/83/45/56/561834556.db2.gz DMOXMVHFSFPORF-AWEZNQCLSA-N -1 3 364.427 2.375 20 5 FEBDHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N(C)C ZINC000510523194 561837672 /nfs/dbraw/zinc/83/76/72/561837672.db2.gz LGLFNIMMVSFGPH-BLLLJJGKSA-N -1 3 358.398 2.425 20 5 FEBDHM CCC(CC)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000510572716 561839342 /nfs/dbraw/zinc/83/93/42/561839342.db2.gz VTWKEZCYAZJCMI-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000511275211 561863608 /nfs/dbraw/zinc/86/36/08/561863608.db2.gz DXCWRQJFLSARQW-LBPRGKRZSA-N -1 3 356.429 2.128 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CN(CC)CC3)c1[N+](=O)[O-] ZINC000363513600 555124640 /nfs/dbraw/zinc/12/46/40/555124640.db2.gz FLYGMOBTMUVVSC-UHFFFAOYSA-N -1 3 364.431 2.357 20 5 FEBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000363807568 555190308 /nfs/dbraw/zinc/19/03/08/555190308.db2.gz WVEQSMHDZRGZFA-UHFFFAOYSA-N -1 3 361.321 2.371 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c(C(F)(F)F)c1 ZINC000513079480 561924629 /nfs/dbraw/zinc/92/46/29/561924629.db2.gz GEAZDERYFIKPTN-CZMCAQCFSA-N -1 3 368.333 2.195 20 5 FEBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000365800384 555670546 /nfs/dbraw/zinc/67/05/46/555670546.db2.gz WBRCYWSPXHCHQQ-UHFFFAOYSA-N -1 3 358.745 2.113 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2cc(F)ccc2C1 ZINC000514951590 561988748 /nfs/dbraw/zinc/98/87/48/561988748.db2.gz SNUMDBLSMJXJGE-CYBMUJFWSA-N -1 3 366.370 2.324 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc([N+](=O)[O-])c1 ZINC000520452576 562156791 /nfs/dbraw/zinc/15/67/91/562156791.db2.gz DWYORSXTVWHRRI-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC000375088565 557975956 /nfs/dbraw/zinc/97/59/56/557975956.db2.gz CLIKOBOKUHQAPZ-ZDUSSCGKSA-N -1 3 359.386 2.331 20 5 FEBDHM Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375677737 558066085 /nfs/dbraw/zinc/06/60/85/558066085.db2.gz ZOXZLBDVXPJOMH-OCCSQVGLSA-N -1 3 361.329 2.091 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2-c2cccnc2)c1 ZINC000377154810 558277583 /nfs/dbraw/zinc/27/75/83/558277583.db2.gz WPLVJQKOIWZIQB-UHFFFAOYSA-N -1 3 354.326 2.222 20 5 FEBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377631636 558381211 /nfs/dbraw/zinc/38/12/11/558381211.db2.gz YDIAPOPVQQOCOH-UHFFFAOYSA-N -1 3 365.455 2.392 20 5 FEBDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000378529377 558576182 /nfs/dbraw/zinc/57/61/82/558576182.db2.gz BGDDLWCBNYAANZ-LLVKDONJSA-N -1 3 365.415 2.073 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C)C1 ZINC000392365422 558617436 /nfs/dbraw/zinc/61/74/36/558617436.db2.gz MWMSVEPRKKFHAG-GHMZBOCLSA-N -1 3 356.400 2.096 20 5 FEBDHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408014184 558638392 /nfs/dbraw/zinc/63/83/92/558638392.db2.gz KRQGUTJDKCMOAF-QMMMGPOBSA-N -1 3 364.221 2.498 20 5 FEBDHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000409466981 558694401 /nfs/dbraw/zinc/69/44/01/558694401.db2.gz WLGHANLYVYTWPS-SECBINFHSA-N -1 3 370.408 2.482 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@]1(O)CCCC(C)(C)C1 ZINC000525836143 562256796 /nfs/dbraw/zinc/25/67/96/562256796.db2.gz OFGDLNAFYKVGOX-INIZCTEOSA-N -1 3 372.443 2.213 20 5 FEBDHM CCn1cccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1=O ZINC000414393930 559161184 /nfs/dbraw/zinc/16/11/84/559161184.db2.gz JMKUAZAJTRPMTF-UHFFFAOYSA-N -1 3 351.384 2.194 20 5 FEBDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416400847 559310290 /nfs/dbraw/zinc/31/02/90/559310290.db2.gz HTYHENGXQHGOJS-NSHDSACASA-N -1 3 356.322 2.053 20 5 FEBDHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416456352 559314306 /nfs/dbraw/zinc/31/43/06/559314306.db2.gz GYODIVJUTDQFLH-LBPRGKRZSA-N -1 3 370.349 2.299 20 5 FEBDHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459848 559314567 /nfs/dbraw/zinc/31/45/67/559314567.db2.gz KSBFPDJMNAUTQZ-RKDXNWHRSA-N -1 3 370.349 2.299 20 5 FEBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416483371 559316588 /nfs/dbraw/zinc/31/65/88/559316588.db2.gz KTWAWMXMJHWLAM-HTQZYQBOSA-N -1 3 356.322 2.315 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000416504809 559318233 /nfs/dbraw/zinc/31/82/33/559318233.db2.gz YHVDIIVUUZYODQ-LLVKDONJSA-N -1 3 358.416 2.087 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)OCC1CC1 ZINC000416600124 559324261 /nfs/dbraw/zinc/32/42/61/559324261.db2.gz QXVCTFBWCPUGNG-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(F)cc1 ZINC000416606671 559324827 /nfs/dbraw/zinc/32/48/27/559324827.db2.gz GYOQZYLVPBGTNO-ZDUSSCGKSA-N -1 3 368.386 2.097 20 5 FEBDHM COCC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000417596091 559368778 /nfs/dbraw/zinc/36/87/78/559368778.db2.gz PNJRJUQAWDVBFB-AWEZNQCLSA-N -1 3 364.354 2.443 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)cc1[N+](=O)[O-] ZINC000420695829 559498743 /nfs/dbraw/zinc/49/87/43/559498743.db2.gz FPVIYEDGQJIWKE-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000427254507 559751447 /nfs/dbraw/zinc/75/14/47/559751447.db2.gz ADDBISJQWPUEBW-UHFFFAOYSA-N -1 3 362.791 2.012 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000427860523 559764147 /nfs/dbraw/zinc/76/41/47/559764147.db2.gz AQOGVJFYWKWQRS-HNNXBMFYSA-N -1 3 364.423 2.348 20 5 FEBDHM COC(=O)c1cccc2[nH]c(NCc3cc(OC)c([O-])cc3[N+](=O)[O-])nc21 ZINC000428341544 559773608 /nfs/dbraw/zinc/77/36/08/559773608.db2.gz XJKZFLTZIIXZIW-UHFFFAOYSA-N -1 3 372.337 2.006 20 5 FEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429830168 559806589 /nfs/dbraw/zinc/80/65/89/559806589.db2.gz RFNWARIEOYIAMD-UHFFFAOYSA-N -1 3 365.198 2.077 20 5 FEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000435626328 559926675 /nfs/dbraw/zinc/92/66/75/559926675.db2.gz KNMBPRNXIPFTIR-UHFFFAOYSA-N -1 3 369.374 2.178 20 5 FEBDHM COc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000436927526 559956636 /nfs/dbraw/zinc/95/66/36/559956636.db2.gz RUOCSMJBWMTCLD-NSHDSACASA-N -1 3 358.354 2.031 20 5 FEBDHM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000451744739 560326115 /nfs/dbraw/zinc/32/61/15/560326115.db2.gz GCUCKYBKLPPSQO-RYUDHWBXSA-N -1 3 370.427 2.486 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nn(C)cc2Cl)c1C ZINC000451801385 560329392 /nfs/dbraw/zinc/32/93/92/560329392.db2.gz LCWIBIUKAPYUCC-UHFFFAOYSA-N -1 3 358.807 2.077 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000451805511 560329712 /nfs/dbraw/zinc/32/97/12/560329712.db2.gz VGEKVGSZCDXEBP-LLVKDONJSA-N -1 3 358.391 2.362 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463866406 560827251 /nfs/dbraw/zinc/82/72/51/560827251.db2.gz QSMDKBUQZQSSGH-CABCVRRESA-N -1 3 372.443 2.474 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466554119 560889819 /nfs/dbraw/zinc/88/98/19/560889819.db2.gz ZKVGZEWOOKJYLS-GFCCVEGCSA-N -1 3 368.342 2.155 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(C)(C)C ZINC000468996234 560944387 /nfs/dbraw/zinc/94/43/87/560944387.db2.gz MMOMFRBJXOICKH-CYBMUJFWSA-N -1 3 358.416 2.484 20 5 FEBDHM COc1cc(CNCc2ccc(S(C)(=O)=O)s2)c([N+](=O)[O-])cc1[O-] ZINC000469203601 560949919 /nfs/dbraw/zinc/94/99/19/560949919.db2.gz SFAIADPCMNEDSL-UHFFFAOYSA-N -1 3 372.424 2.064 20 5 FEBDHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469699345 560961846 /nfs/dbraw/zinc/96/18/46/560961846.db2.gz FJASQGMVUIPZSC-UHFFFAOYSA-N -1 3 356.338 2.472 20 5 FEBDHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000472944276 561038445 /nfs/dbraw/zinc/03/84/45/561038445.db2.gz RTCYGEIYBBHYCQ-UHFFFAOYSA-N -1 3 374.353 2.048 20 5 FEBDHM COC(=O)Cc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000473487974 561051004 /nfs/dbraw/zinc/05/10/04/561051004.db2.gz JBMLYRUQIQFAHT-UHFFFAOYSA-N -1 3 354.322 2.439 20 5 FEBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000477168067 561138346 /nfs/dbraw/zinc/13/83/46/561138346.db2.gz STIHLDZNIMFRAQ-VXGBXAGGSA-N -1 3 370.427 2.471 20 5 FEBDHM C[C@@]1(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000531557487 562449752 /nfs/dbraw/zinc/44/97/52/562449752.db2.gz IXJQQIWCCLVONU-KRWDZBQOSA-N -1 3 372.312 2.041 20 5 FEBDHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000534530400 562536200 /nfs/dbraw/zinc/53/62/00/562536200.db2.gz CTMVGZQTYVEXIU-OAHLLOKOSA-N -1 3 365.386 2.199 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000541820410 562620508 /nfs/dbraw/zinc/62/05/08/562620508.db2.gz HCVBFHWYIWNCME-UHFFFAOYSA-N -1 3 365.411 2.484 20 5 FEBDHM COc1cccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821873794 599063001 /nfs/dbraw/zinc/06/30/01/599063001.db2.gz YNCRMJWUIOBTNW-SNVBAGLBSA-N -1 3 371.357 2.058 20 5 FEBDHM COc1cccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821873794 599063005 /nfs/dbraw/zinc/06/30/05/599063005.db2.gz YNCRMJWUIOBTNW-SNVBAGLBSA-N -1 3 371.357 2.058 20 5 FEBDHM CC(C)C[C@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820056549 599104741 /nfs/dbraw/zinc/10/47/41/599104741.db2.gz QLWKHYGPWLHKOG-SNVBAGLBSA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)C[C@H](CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820056549 599104742 /nfs/dbraw/zinc/10/47/42/599104742.db2.gz QLWKHYGPWLHKOG-SNVBAGLBSA-N -1 3 357.374 2.142 20 5 FEBDHM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821611255 607348113 /nfs/dbraw/zinc/34/81/13/607348113.db2.gz XYMGOOPCEXHGDG-SANMLTNESA-N -1 3 372.410 2.149 20 5 FEBDHM O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000738361758 598253832 /nfs/dbraw/zinc/25/38/32/598253832.db2.gz ZVFRFLKLCONFTH-UHFFFAOYSA-N -1 3 365.397 2.097 20 5 FEBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739896 598310007 /nfs/dbraw/zinc/31/00/07/598310007.db2.gz WQIPZRKBGHNQGY-UHFFFAOYSA-N -1 3 356.317 2.120 20 5 FEBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739896 598310009 /nfs/dbraw/zinc/31/00/09/598310009.db2.gz WQIPZRKBGHNQGY-UHFFFAOYSA-N -1 3 356.317 2.120 20 5 FEBDHM Cc1cnn(CC2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1 ZINC000737446510 598338483 /nfs/dbraw/zinc/33/84/83/598338483.db2.gz YGJSABFLOLPZOJ-UHFFFAOYSA-N -1 3 368.401 2.196 20 5 FEBDHM Cc1cnn(CC2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c1 ZINC000737446510 598338488 /nfs/dbraw/zinc/33/84/88/598338488.db2.gz YGJSABFLOLPZOJ-UHFFFAOYSA-N -1 3 368.401 2.196 20 5 FEBDHM CCn1c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccccc21 ZINC000821564054 599306171 /nfs/dbraw/zinc/30/61/71/599306171.db2.gz RHRCVXDNGRAXBL-UHFFFAOYSA-N -1 3 365.357 2.152 20 5 FEBDHM CCn1c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccccc21 ZINC000821564054 599306175 /nfs/dbraw/zinc/30/61/75/599306175.db2.gz RHRCVXDNGRAXBL-UHFFFAOYSA-N -1 3 365.357 2.152 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820455731 599354074 /nfs/dbraw/zinc/35/40/74/599354074.db2.gz MQKDJKLFZREEEA-QMMMGPOBSA-N -1 3 352.314 2.484 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820455731 599354078 /nfs/dbraw/zinc/35/40/78/599354078.db2.gz MQKDJKLFZREEEA-QMMMGPOBSA-N -1 3 352.314 2.484 20 5 FEBDHM C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374888 599425538 /nfs/dbraw/zinc/42/55/38/599425538.db2.gz SMIUXKHJRHLLGE-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374888 599425540 /nfs/dbraw/zinc/42/55/40/599425540.db2.gz SMIUXKHJRHLLGE-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM CCc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000821470574 599571320 /nfs/dbraw/zinc/57/13/20/599571320.db2.gz QIVVHQITCDLWMH-UHFFFAOYSA-N -1 3 366.341 2.486 20 5 FEBDHM CCc1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000821470574 599571323 /nfs/dbraw/zinc/57/13/23/599571323.db2.gz QIVVHQITCDLWMH-UHFFFAOYSA-N -1 3 366.341 2.486 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000821749797 607409257 /nfs/dbraw/zinc/40/92/57/607409257.db2.gz YLVNUQSCWGITJH-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000821749797 607409259 /nfs/dbraw/zinc/40/92/59/607409259.db2.gz YLVNUQSCWGITJH-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826286948 607466138 /nfs/dbraw/zinc/46/61/38/607466138.db2.gz WXALHFKOHDEWIR-UHFFFAOYSA-N -1 3 373.760 2.313 20 5 FEBDHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826286948 607466139 /nfs/dbraw/zinc/46/61/39/607466139.db2.gz WXALHFKOHDEWIR-UHFFFAOYSA-N -1 3 373.760 2.313 20 5 FEBDHM COc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204247 607559978 /nfs/dbraw/zinc/55/99/78/607559978.db2.gz CYQHQIWTMUJAHN-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM COc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204247 607559980 /nfs/dbraw/zinc/55/99/80/607559980.db2.gz CYQHQIWTMUJAHN-UHFFFAOYSA-N -1 3 361.749 2.444 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)Cc1ccccc1 ZINC000824655838 607564606 /nfs/dbraw/zinc/56/46/06/607564606.db2.gz GDEAYPIYIHDODF-MEDUHNTESA-N -1 3 354.370 2.179 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)Cc1ccccc1 ZINC000824655838 607564607 /nfs/dbraw/zinc/56/46/07/607564607.db2.gz GDEAYPIYIHDODF-MEDUHNTESA-N -1 3 354.370 2.179 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ncccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499344 607564693 /nfs/dbraw/zinc/56/46/93/607564693.db2.gz FLZDISVOTLGJRU-UHFFFAOYSA-N -1 3 374.364 2.281 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ncccc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499344 607564694 /nfs/dbraw/zinc/56/46/94/607564694.db2.gz FLZDISVOTLGJRU-UHFFFAOYSA-N -1 3 374.364 2.281 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C ZINC000809821049 674512520 /nfs/dbraw/zinc/51/25/20/674512520.db2.gz HHFQCVBJYICEOP-BDAKNGLRSA-N -1 3 365.814 2.148 20 5 FEBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815733 674511884 /nfs/dbraw/zinc/51/18/84/674511884.db2.gz PPHWMTBRXRHKOL-SECBINFHSA-N -1 3 365.814 2.007 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826200764 607608689 /nfs/dbraw/zinc/60/86/89/607608689.db2.gz HUDJFTBZRSZKOA-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826200764 607608691 /nfs/dbraw/zinc/60/86/91/607608691.db2.gz HUDJFTBZRSZKOA-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM C[C@](CNC(=O)[O-])(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000824952075 604342503 /nfs/dbraw/zinc/34/25/03/604342503.db2.gz IWOIIOVTAXUFRV-OAHLLOKOSA-N -1 3 370.793 2.213 20 5 FEBDHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000820995903 606421104 /nfs/dbraw/zinc/42/11/04/606421104.db2.gz ZZAQHYQBHVHXCB-KBPBESRZSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000820995903 606421106 /nfs/dbraw/zinc/42/11/06/606421106.db2.gz ZZAQHYQBHVHXCB-KBPBESRZSA-N -1 3 373.417 2.001 20 5 FEBDHM Cc1ccc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822233035 606476340 /nfs/dbraw/zinc/47/63/40/606476340.db2.gz GSFVBNDUOURLBA-CQSZACIVSA-N -1 3 356.342 2.254 20 5 FEBDHM Cc1ccc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822233035 606476342 /nfs/dbraw/zinc/47/63/42/606476342.db2.gz GSFVBNDUOURLBA-CQSZACIVSA-N -1 3 356.342 2.254 20 5 FEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823418312 606561062 /nfs/dbraw/zinc/56/10/62/606561062.db2.gz PJBWUMMDLVFPFJ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823418312 606561064 /nfs/dbraw/zinc/56/10/64/606561064.db2.gz PJBWUMMDLVFPFJ-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820623267 606724149 /nfs/dbraw/zinc/72/41/49/606724149.db2.gz KEUUQYGBUBDTEW-INIZCTEOSA-N -1 3 355.358 2.304 20 5 FEBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820623267 606724151 /nfs/dbraw/zinc/72/41/51/606724151.db2.gz KEUUQYGBUBDTEW-INIZCTEOSA-N -1 3 355.358 2.304 20 5 FEBDHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820231144 606945600 /nfs/dbraw/zinc/94/56/00/606945600.db2.gz BEDUISSPSJXINS-QMTHXVAHSA-N -1 3 355.358 2.094 20 5 FEBDHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820231144 606945601 /nfs/dbraw/zinc/94/56/01/606945601.db2.gz BEDUISSPSJXINS-QMTHXVAHSA-N -1 3 355.358 2.094 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823630491 606951323 /nfs/dbraw/zinc/95/13/23/606951323.db2.gz YENBRVOHQFONOX-SWLSCSKDSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823630491 606951325 /nfs/dbraw/zinc/95/13/25/606951325.db2.gz YENBRVOHQFONOX-SWLSCSKDSA-N -1 3 370.369 2.460 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nnn[n-]1 ZINC000821569267 606970879 /nfs/dbraw/zinc/97/08/79/606970879.db2.gz DARFLYVZUJDJBW-FLIBITNWSA-N -1 3 350.338 2.451 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nn[n-]n1 ZINC000821569267 606970881 /nfs/dbraw/zinc/97/08/81/606970881.db2.gz DARFLYVZUJDJBW-FLIBITNWSA-N -1 3 350.338 2.451 20 5 FEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826422789 607834597 /nfs/dbraw/zinc/83/45/97/607834597.db2.gz MEGBJQNGPDNSSR-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826422789 607834598 /nfs/dbraw/zinc/83/45/98/607834598.db2.gz MEGBJQNGPDNSSR-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000826390971 607934556 /nfs/dbraw/zinc/93/45/56/607934556.db2.gz SFZKITSSTMCEAI-CQSZACIVSA-N -1 3 359.390 2.011 20 5 FEBDHM NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000826390971 607934557 /nfs/dbraw/zinc/93/45/57/607934557.db2.gz SFZKITSSTMCEAI-CQSZACIVSA-N -1 3 359.390 2.011 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826497366 607936960 /nfs/dbraw/zinc/93/69/60/607936960.db2.gz FDOODIVYFUIDLH-ZFWWWQNUSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826497366 607936961 /nfs/dbraw/zinc/93/69/61/607936961.db2.gz FDOODIVYFUIDLH-ZFWWWQNUSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN2CCOc1ccccc1-c1nnn[n-]1 ZINC000826499999 607958047 /nfs/dbraw/zinc/95/80/47/607958047.db2.gz HNFYRQDGPPHUAJ-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN2CCOc1ccccc1-c1nn[n-]n1 ZINC000826499999 607958048 /nfs/dbraw/zinc/95/80/48/607958048.db2.gz HNFYRQDGPPHUAJ-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826498159 608052932 /nfs/dbraw/zinc/05/29/32/608052932.db2.gz JKJIHVWUDSATNN-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826498159 608052933 /nfs/dbraw/zinc/05/29/33/608052933.db2.gz JKJIHVWUDSATNN-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000826172506 608346040 /nfs/dbraw/zinc/34/60/40/608346040.db2.gz JXGIVRMYCDKYAY-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000826172506 608346043 /nfs/dbraw/zinc/34/60/43/608346043.db2.gz JXGIVRMYCDKYAY-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCO1 ZINC000824651262 608363932 /nfs/dbraw/zinc/36/39/32/608363932.db2.gz YGUDGJVDRGZIPZ-XPTSAGLGSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCO1 ZINC000824651262 608363935 /nfs/dbraw/zinc/36/39/35/608363935.db2.gz YGUDGJVDRGZIPZ-XPTSAGLGSA-N -1 3 355.358 2.303 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826500692 608498789 /nfs/dbraw/zinc/49/87/89/608498789.db2.gz IEEINBFYQHRSOA-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826500692 608498790 /nfs/dbraw/zinc/49/87/90/608498790.db2.gz IEEINBFYQHRSOA-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000826162945 609484334 /nfs/dbraw/zinc/48/43/34/609484334.db2.gz ZNBSJMLYBMGWOT-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000826162945 609484336 /nfs/dbraw/zinc/48/43/36/609484336.db2.gz ZNBSJMLYBMGWOT-UHFFFAOYSA-N -1 3 370.369 2.412 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499367 609603835 /nfs/dbraw/zinc/60/38/35/609603835.db2.gz GCYJRGLVGOABQS-SNVBAGLBSA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499367 609603838 /nfs/dbraw/zinc/60/38/38/609603838.db2.gz GCYJRGLVGOABQS-SNVBAGLBSA-N -1 3 355.358 2.162 20 5 FEBDHM CC(COC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)[N+](=O)[O-] ZINC000813110578 674721094 /nfs/dbraw/zinc/72/10/94/674721094.db2.gz DTZQADLSLYCWPJ-SNVBAGLBSA-N -1 3 370.408 2.371 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc(C)n1 ZINC000562841953 674815770 /nfs/dbraw/zinc/81/57/70/674815770.db2.gz YLFKQCKUBNQRJV-UHFFFAOYSA-N -1 3 350.400 2.097 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000574711792 671270953 /nfs/dbraw/zinc/27/09/53/671270953.db2.gz BBRXPKINDALVIG-UHFFFAOYSA-N -1 3 354.306 2.223 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c(Cl)cc1F ZINC000122030893 671961394 /nfs/dbraw/zinc/96/13/94/671961394.db2.gz OLYYNCCNLWGIKJ-UHFFFAOYSA-N -1 3 360.754 2.396 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000126303638 672022869 /nfs/dbraw/zinc/02/28/69/672022869.db2.gz KEFUSHAQIRGDAK-KOLCDFICSA-N -1 3 359.835 2.152 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588990 672592894 /nfs/dbraw/zinc/59/28/94/672592894.db2.gz FWMQYHAFGWWQMX-ZDUSSCGKSA-N -1 3 371.390 2.217 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)nc1 ZINC000593561826 672943915 /nfs/dbraw/zinc/94/39/15/672943915.db2.gz PPBIENSZJVVHAU-AWEZNQCLSA-N -1 3 365.436 2.299 20 5 FEBDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593569150 672946323 /nfs/dbraw/zinc/94/63/23/672946323.db2.gz WZFOPBAZABQJLD-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)nc1 ZINC000593581763 672950403 /nfs/dbraw/zinc/95/04/03/672950403.db2.gz LVEGDGXHJZBFHB-ZDUSSCGKSA-N -1 3 355.416 2.150 20 5 FEBDHM COC(=O)c1occc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594861946 673168773 /nfs/dbraw/zinc/16/87/73/673168773.db2.gz IURTVKHCBFUVNZ-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC000595349910 673229943 /nfs/dbraw/zinc/22/99/43/673229943.db2.gz BKDBDBRGINRLLD-LLVKDONJSA-N -1 3 350.343 2.173 20 5 FEBDHM Cc1ncc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000542385577 673578750 /nfs/dbraw/zinc/57/87/50/673578750.db2.gz LQWZUPHUXJBLJF-UHFFFAOYSA-N -1 3 368.802 2.461 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000603958572 675802611 /nfs/dbraw/zinc/80/26/11/675802611.db2.gz QOPNLJABVXMLOF-UHFFFAOYSA-N -1 3 351.384 2.175 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000604039691 675803275 /nfs/dbraw/zinc/80/32/75/675803275.db2.gz JOJGXLKIPLFULJ-SECBINFHSA-N -1 3 370.408 2.482 20 5 FEBDHM CCOC(=O)c1nnc([N-]C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)s1 ZINC000616869515 676260880 /nfs/dbraw/zinc/26/08/80/676260880.db2.gz DPCWYECUIGTPBP-UHFFFAOYSA-N -1 3 366.355 2.192 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC000765187021 680834282 /nfs/dbraw/zinc/83/42/82/680834282.db2.gz YQDMPZRFICUKPZ-SNVBAGLBSA-N -1 3 356.322 2.067 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000832152768 680102978 /nfs/dbraw/zinc/10/29/78/680102978.db2.gz LGBZLHDAQNHORV-LLVKDONJSA-N -1 3 369.226 2.466 20 5 FEBDHM CC(C)[C@@H](CO)O[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000836894039 680528143 /nfs/dbraw/zinc/52/81/43/680528143.db2.gz ZUIYVKWPHFMPMV-SNVBAGLBSA-N -1 3 365.155 2.175 20 5 FEBDHM CCc1cccc(CC)c1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000759167720 680632795 /nfs/dbraw/zinc/63/27/95/680632795.db2.gz CHSJZCOLJDABMJ-UHFFFAOYSA-N -1 3 350.400 2.420 20 5 FEBDHM O=C([N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)c1nccs1 ZINC000769607813 680988986 /nfs/dbraw/zinc/98/89/86/680988986.db2.gz UWWBLEWBEUHZJS-UHFFFAOYSA-N -1 3 353.310 2.336 20 5 FEBDHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000771562392 681060000 /nfs/dbraw/zinc/06/00/00/681060000.db2.gz NOCOJVIEJVFPRF-LBPRGKRZSA-N -1 3 361.851 2.399 20 5 FEBDHM O=C([N-][C@@H]1CCN(CC(F)F)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848593634 681586147 /nfs/dbraw/zinc/58/61/47/681586147.db2.gz OWGQGCNHFKYUCU-SECBINFHSA-N -1 3 365.283 2.022 20 5 FEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820920 682147721 /nfs/dbraw/zinc/14/77/21/682147721.db2.gz KUVQJEGMGXSSHZ-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2SCCS2)c(F)c1 ZINC000851845563 682159552 /nfs/dbraw/zinc/15/95/52/682159552.db2.gz QIYDNBNUVYWQHM-UHFFFAOYSA-N -1 3 352.434 2.208 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N(C)C1CC1 ZINC000795819810 683095040 /nfs/dbraw/zinc/09/50/40/683095040.db2.gz UVOYAVTXBOBBGC-MRVPVSSYSA-N -1 3 365.814 2.148 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCOCC2)c(F)c1 ZINC000867781938 684384609 /nfs/dbraw/zinc/38/46/09/684384609.db2.gz DESUDMHUMRWNAD-AAEUAGOBSA-N -1 3 358.391 2.075 20 5 FEBDHM Cc1cc(=O)[n-]c(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000886655506 688286669 /nfs/dbraw/zinc/28/66/69/688286669.db2.gz SPAAGWVCPPWEFQ-UHFFFAOYSA-N -1 3 363.805 2.374 20 5 FEBDHM O=C([N-]Cc1cnn(CCF)c1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000903015043 690831945 /nfs/dbraw/zinc/83/19/45/690831945.db2.gz CPMPBALTKWGTGS-UHFFFAOYSA-N -1 3 358.276 2.049 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000007026335 539445078 /nfs/dbraw/zinc/44/50/78/539445078.db2.gz FGBVWOVDSUZDDV-UHFFFAOYSA-N -1 3 350.352 2.228 20 5 FEBDHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)oc1C ZINC000042159249 540054400 /nfs/dbraw/zinc/05/44/00/540054400.db2.gz NYTJXRLOZLJZMS-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000055295775 540645193 /nfs/dbraw/zinc/64/51/93/540645193.db2.gz IEMTVBBSCJQSSO-UHFFFAOYSA-N -1 3 364.358 2.169 20 5 FEBDHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056043237 540696737 /nfs/dbraw/zinc/69/67/37/540696737.db2.gz WZFBZBNVHMVZCY-GFCCVEGCSA-N -1 3 370.818 2.338 20 5 FEBDHM Cc1c(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cccc1[N+](=O)[O-] ZINC000058278760 540837769 /nfs/dbraw/zinc/83/77/69/540837769.db2.gz NSVXHBDTZRRFHZ-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000060508899 541115826 /nfs/dbraw/zinc/11/58/26/541115826.db2.gz HZXFYZKLCQBBDD-UHFFFAOYSA-N -1 3 370.770 2.455 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000064245305 541197213 /nfs/dbraw/zinc/19/72/13/541197213.db2.gz BKFRUAHYHZYFFX-JTQLQIEISA-N -1 3 361.470 2.299 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000073436523 541953716 /nfs/dbraw/zinc/95/37/16/541953716.db2.gz DQULNHZHFJXXPG-UHFFFAOYSA-N -1 3 371.459 2.146 20 5 FEBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080806494 542610804 /nfs/dbraw/zinc/61/08/04/542610804.db2.gz PKTQIGIMDGKQAO-AWEZNQCLSA-N -1 3 350.396 2.131 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000106891113 543253248 /nfs/dbraw/zinc/25/32/48/543253248.db2.gz SDPMXBFWOFXTQW-NSHDSACASA-N -1 3 357.407 2.029 20 5 FEBDHM COCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000107702513 543276098 /nfs/dbraw/zinc/27/60/98/543276098.db2.gz SNGXVRVYKHDIKA-UHFFFAOYSA-N -1 3 372.349 2.498 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)c1ccncc1 ZINC000123758994 543781085 /nfs/dbraw/zinc/78/10/85/543781085.db2.gz KWONVBHRWSLPMB-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)c1C ZINC000151925558 544596435 /nfs/dbraw/zinc/59/64/35/544596435.db2.gz UAGMWGSYMLBVAN-HZPDHXFCSA-N -1 3 362.407 2.148 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c1C ZINC000152568512 544668732 /nfs/dbraw/zinc/66/87/32/544668732.db2.gz VCEPFZWVDTWNKF-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM O=C([N-]c1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000186804544 327983718 /nfs/dbraw/zinc/98/37/18/327983718.db2.gz YIJRJRMCJVZSKC-UHFFFAOYSA-N -1 3 363.301 2.052 20 5 FEBDHM C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000187171056 328006457 /nfs/dbraw/zinc/00/64/57/328006457.db2.gz VHOWZTDTZHVFDN-XJKSGUPXSA-N -1 3 370.409 2.478 20 5 FEBDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189126322 328129858 /nfs/dbraw/zinc/12/98/58/328129858.db2.gz KLUHCQMWDDBFNO-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000189797955 328168709 /nfs/dbraw/zinc/16/87/09/328168709.db2.gz SZJWGBBGOCJSIP-CYBMUJFWSA-N -1 3 367.427 2.386 20 5 FEBDHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189856729 328171943 /nfs/dbraw/zinc/17/19/43/328171943.db2.gz QKOINAYKOLISRD-UHFFFAOYSA-N -1 3 371.459 2.139 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000190051945 328184821 /nfs/dbraw/zinc/18/48/21/328184821.db2.gz DCRSIWDRIQARSM-BBRMVZONSA-N -1 3 356.444 2.431 20 5 FEBDHM Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000194258082 328417063 /nfs/dbraw/zinc/41/70/63/328417063.db2.gz VJFCMUKLITZMSM-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000103498738 325522563 /nfs/dbraw/zinc/52/25/63/325522563.db2.gz NQTMWVXDSLWGDE-UHFFFAOYSA-N -1 3 363.395 2.074 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c1C ZINC000119324317 326149564 /nfs/dbraw/zinc/14/95/64/326149564.db2.gz YSILLKRHMZSJDR-CQSZACIVSA-N -1 3 367.427 2.386 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)Cc2ccccc2C1 ZINC000123852355 326443477 /nfs/dbraw/zinc/44/34/77/326443477.db2.gz VEXYWDNZUTXNKQ-UHFFFAOYSA-N -1 3 362.407 2.439 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000170826901 327100911 /nfs/dbraw/zinc/10/09/11/327100911.db2.gz VXCBPTIMJOIVSM-UHFFFAOYSA-N -1 3 371.393 2.387 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174609105 327338123 /nfs/dbraw/zinc/33/81/23/327338123.db2.gz YCPMWVAHANYMOZ-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)n1 ZINC000176189838 327439546 /nfs/dbraw/zinc/43/95/46/327439546.db2.gz UPIDEAQIIKZLMC-UHFFFAOYSA-N -1 3 365.349 2.488 20 5 FEBDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnn1C ZINC000178292438 327576827 /nfs/dbraw/zinc/57/68/27/327576827.db2.gz RUMDKCDHDLMBGO-NSHDSACASA-N -1 3 352.416 2.293 20 5 FEBDHM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC000266209378 329200873 /nfs/dbraw/zinc/20/08/73/329200873.db2.gz MEEOSCDFUKCMGI-LBPRGKRZSA-N -1 3 365.415 2.215 20 5 FEBDHM COC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000270969805 329650175 /nfs/dbraw/zinc/65/01/75/329650175.db2.gz HUHMSLDPWMPEHH-UHFFFAOYSA-N -1 3 364.383 2.308 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000272035931 329746917 /nfs/dbraw/zinc/74/69/17/329746917.db2.gz KIUUVJUKSNBLNI-OCCSQVGLSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)c2cnn(C)c2)c1 ZINC000272429165 329780553 /nfs/dbraw/zinc/78/05/53/329780553.db2.gz GIEGECDMFLLHTM-SECBINFHSA-N -1 3 358.807 2.330 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000275146367 330015490 /nfs/dbraw/zinc/01/54/90/330015490.db2.gz OLJMKHYUMTYPQX-UHFFFAOYSA-N -1 3 371.393 2.467 20 5 FEBDHM NC(=O)Nc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000478098797 561159888 /nfs/dbraw/zinc/15/98/88/561159888.db2.gz VZBMRWNCSBAYAA-UHFFFAOYSA-N -1 3 358.289 2.353 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000478140927 561160794 /nfs/dbraw/zinc/16/07/94/561160794.db2.gz WBUCSWAYAUKCPX-AWEZNQCLSA-N -1 3 372.443 2.076 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000479136931 561182366 /nfs/dbraw/zinc/18/23/66/561182366.db2.gz TXPPZBINDURYGL-GFCCVEGCSA-N -1 3 370.349 2.457 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c2ncccc12 ZINC000480436133 561209307 /nfs/dbraw/zinc/20/93/07/561209307.db2.gz HQWHUKPWXMMYRN-UHFFFAOYSA-N -1 3 357.338 2.467 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCCC1 ZINC000480753954 561216059 /nfs/dbraw/zinc/21/60/59/561216059.db2.gz JYQTVZVTNQLZSE-UHFFFAOYSA-N -1 3 359.423 2.134 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1 ZINC000480859270 561218532 /nfs/dbraw/zinc/21/85/32/561218532.db2.gz WTXRJUBTTYBUQN-LBPRGKRZSA-N -1 3 363.395 2.209 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cnc3ccccc32)c(F)c1 ZINC000480891025 561219572 /nfs/dbraw/zinc/21/95/72/561219572.db2.gz HIYQLUGQIPWPMX-UHFFFAOYSA-N -1 3 364.358 2.062 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481031213 561223463 /nfs/dbraw/zinc/22/34/63/561223463.db2.gz AMZIEOZSDIGHMR-GFCCVEGCSA-N -1 3 355.460 2.222 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c(F)c1 ZINC000178882549 546866266 /nfs/dbraw/zinc/86/62/66/546866266.db2.gz FEKVAKUVQULVNA-ZDUSSCGKSA-N -1 3 368.386 2.178 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc(Cl)c1F ZINC000482664866 561258061 /nfs/dbraw/zinc/25/80/61/561258061.db2.gz DWXGXOQWPXNLNX-UHFFFAOYSA-N -1 3 356.697 2.160 20 5 FEBDHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183318878 547638101 /nfs/dbraw/zinc/63/81/01/547638101.db2.gz OVTDBSANXWAQTN-UHFFFAOYSA-N -1 3 359.382 2.210 20 5 FEBDHM O=C([N-]c1cc(F)ccc1NC(=O)c1ccccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000485615306 561324125 /nfs/dbraw/zinc/32/41/25/561324125.db2.gz OPOANQWYWRFSMN-UHFFFAOYSA-N -1 3 370.300 2.357 20 5 FEBDHM CCOC(=O)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c([O-])c1 ZINC000489223252 561406036 /nfs/dbraw/zinc/40/60/36/561406036.db2.gz JASXYHGRBZRFBU-UHFFFAOYSA-N -1 3 374.305 2.458 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000489714937 561417655 /nfs/dbraw/zinc/41/76/55/561417655.db2.gz MKTQYQOUDVCHOY-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM COc1nnc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)[n-]1 ZINC000490711189 561437603 /nfs/dbraw/zinc/43/76/03/561437603.db2.gz RAJQQCDFZYDJEE-SNVBAGLBSA-N -1 3 360.374 2.210 20 5 FEBDHM COc1nc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[n-]1 ZINC000490711189 561437604 /nfs/dbraw/zinc/43/76/04/561437604.db2.gz RAJQQCDFZYDJEE-SNVBAGLBSA-N -1 3 360.374 2.210 20 5 FEBDHM COc1n[n-]c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000490711189 561437605 /nfs/dbraw/zinc/43/76/05/561437605.db2.gz RAJQQCDFZYDJEE-SNVBAGLBSA-N -1 3 360.374 2.210 20 5 FEBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000269894751 550234209 /nfs/dbraw/zinc/23/42/09/550234209.db2.gz YBFVCGVORXCBNV-UHFFFAOYSA-N -1 3 360.432 2.071 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493929233 561459534 /nfs/dbraw/zinc/45/95/34/561459534.db2.gz XOSDHZHIBLONGW-ZCFIWIBFSA-N -1 3 360.285 2.219 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])[n-]c21 ZINC000494096596 561462470 /nfs/dbraw/zinc/46/24/70/561462470.db2.gz MBVYWQCSERVNHY-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccccc3[N+](=O)[O-])nc21 ZINC000494096596 561462471 /nfs/dbraw/zinc/46/24/71/561462471.db2.gz MBVYWQCSERVNHY-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)CN(C(C)C)CC3)c1[N+](=O)[O-] ZINC000273127225 550486297 /nfs/dbraw/zinc/48/62/97/550486297.db2.gz SQIOWHDBOUIGJL-UHFFFAOYSA-N -1 3 350.404 2.102 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280698904 551022908 /nfs/dbraw/zinc/02/29/08/551022908.db2.gz FDXOLVQZIDEILE-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000281713893 551134040 /nfs/dbraw/zinc/13/40/40/551134040.db2.gz QIOXPHJPSMBLBD-SECBINFHSA-N -1 3 350.343 2.317 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)c1C ZINC000282778226 551269340 /nfs/dbraw/zinc/26/93/40/551269340.db2.gz OXOSAAVJHBXKQP-CQSZACIVSA-N -1 3 364.427 2.301 20 5 FEBDHM CC(=O)c1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000283685667 551409270 /nfs/dbraw/zinc/40/92/70/551409270.db2.gz YFKUTZVJWPXAQW-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC(=O)c2ccccc21 ZINC000498876945 561536738 /nfs/dbraw/zinc/53/67/38/561536738.db2.gz QZKVWYHTRPGXEM-ZDUSSCGKSA-N -1 3 362.363 2.209 20 5 FEBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500153173 561566878 /nfs/dbraw/zinc/56/68/78/561566878.db2.gz YCWOHWSROPCOHT-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c([O-])c1C ZINC000296781856 553210884 /nfs/dbraw/zinc/21/08/84/553210884.db2.gz AGVBIKGIVDAYKD-UHFFFAOYSA-N -1 3 356.382 2.275 20 5 FEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)CC(=O)N3)s1 ZINC000302172809 553708508 /nfs/dbraw/zinc/70/85/08/553708508.db2.gz MIMVXSJQIBMFOR-UHFFFAOYSA-N -1 3 353.381 2.298 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000326051950 553778656 /nfs/dbraw/zinc/77/86/56/553778656.db2.gz AVSZKBDQIQJDFP-SSDOTTSWSA-N -1 3 370.305 2.001 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C ZINC000325979332 553778660 /nfs/dbraw/zinc/77/86/60/553778660.db2.gz YQDQMSYIQAKFCB-QWRGUYRKSA-N -1 3 356.400 2.096 20 5 FEBDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000325927150 553778828 /nfs/dbraw/zinc/77/88/28/553778828.db2.gz TYZDHJLKWVTXGT-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC(C)(C)OC1(C)C ZINC000330685896 554157015 /nfs/dbraw/zinc/15/70/15/554157015.db2.gz AIIACZJVFPJMGQ-CYBMUJFWSA-N -1 3 358.416 2.228 20 5 FEBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330740721 554165142 /nfs/dbraw/zinc/16/51/42/554165142.db2.gz AWPJXAIITMMUBY-GFCCVEGCSA-N -1 3 359.423 2.277 20 5 FEBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1N1CCCC1=O ZINC000509429229 561799260 /nfs/dbraw/zinc/79/92/60/561799260.db2.gz AKPXUZGFHUHUSA-UHFFFAOYSA-N -1 3 372.337 2.083 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000332414699 554442572 /nfs/dbraw/zinc/44/25/72/554442572.db2.gz BCHUARAVUOFGRD-DZGCQCFKSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc(OC)c1[O-] ZINC000350916327 554821910 /nfs/dbraw/zinc/82/19/10/554821910.db2.gz QBHAVUBSBKUBMP-UHFFFAOYSA-N -1 3 361.314 2.077 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000511334997 561865657 /nfs/dbraw/zinc/86/56/57/561865657.db2.gz SBNRMUJTMXJTJP-UHFFFAOYSA-N -1 3 352.397 2.091 20 5 FEBDHM COCc1ncc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000512718756 561913259 /nfs/dbraw/zinc/91/32/59/561913259.db2.gz SGDLJQACCFJYGG-UHFFFAOYSA-N -1 3 351.340 2.237 20 5 FEBDHM Cc1noc(C2CCC([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365934782 555705202 /nfs/dbraw/zinc/70/52/02/555705202.db2.gz BNDBTVDRIWMGDP-UHFFFAOYSA-N -1 3 366.399 2.291 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366215175 555783576 /nfs/dbraw/zinc/78/35/76/555783576.db2.gz ZZEIPUVEQIEDJW-UHFFFAOYSA-N -1 3 374.325 2.273 20 5 FEBDHM Cc1c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000371537510 557214025 /nfs/dbraw/zinc/21/40/25/557214025.db2.gz ABPRCYYNPFIQMJ-UHFFFAOYSA-N -1 3 368.309 2.849 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2ncn(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000373175645 557643878 /nfs/dbraw/zinc/64/38/78/557643878.db2.gz DKQPPRGOOYAUQY-UHFFFAOYSA-N -1 3 369.297 2.039 20 5 FEBDHM Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375677735 558066140 /nfs/dbraw/zinc/06/61/40/558066140.db2.gz ZOXZLBDVXPJOMH-GXTWGEPZSA-N -1 3 361.329 2.091 20 5 FEBDHM O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377164049 558279731 /nfs/dbraw/zinc/27/97/31/558279731.db2.gz FYBRYKMQAUGBRD-HNNXBMFYSA-N -1 3 370.409 2.337 20 5 FEBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)n1 ZINC000378309422 558526385 /nfs/dbraw/zinc/52/63/85/558526385.db2.gz NNJOYXXCINQAPU-UHFFFAOYSA-N -1 3 368.353 2.306 20 5 FEBDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000525183176 562242174 /nfs/dbraw/zinc/24/21/74/562242174.db2.gz XCZXRCYJSIQWPI-GFCCVEGCSA-N -1 3 366.395 2.349 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1F ZINC000411294842 558870477 /nfs/dbraw/zinc/87/04/77/558870477.db2.gz SCTMEPLCZNIFGI-UHFFFAOYSA-N -1 3 363.227 2.061 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1F ZINC000411294842 558870478 /nfs/dbraw/zinc/87/04/78/558870478.db2.gz SCTMEPLCZNIFGI-UHFFFAOYSA-N -1 3 363.227 2.061 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000525706566 562252930 /nfs/dbraw/zinc/25/29/30/562252930.db2.gz AFRFHVVJWTYFLN-SFHVURJKSA-N -1 3 370.365 2.270 20 5 FEBDHM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000412699873 559051288 /nfs/dbraw/zinc/05/12/88/559051288.db2.gz PUXDDZCNQJOOEY-CYBMUJFWSA-N -1 3 356.382 2.042 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@]1(O)CCCC(C)(C)C1 ZINC000526085800 562266460 /nfs/dbraw/zinc/26/64/60/562266460.db2.gz DFQWQONSHHKKOU-INIZCTEOSA-N -1 3 372.443 2.213 20 5 FEBDHM CN(C)C(=O)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000413116474 559079826 /nfs/dbraw/zinc/07/98/26/559079826.db2.gz HOXJNGKCTGHLOI-UHFFFAOYSA-N -1 3 358.280 2.037 20 5 FEBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416537331 559320488 /nfs/dbraw/zinc/32/04/88/559320488.db2.gz SLFFMQMGCRAMGH-PSASIEDQSA-N -1 3 368.333 2.459 20 5 FEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000416570340 559322618 /nfs/dbraw/zinc/32/26/18/559322618.db2.gz ZVDAHGVFGSPDAG-STQMWFEESA-N -1 3 360.819 2.484 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)[C@H]1CC1(C)C ZINC000416642813 559327140 /nfs/dbraw/zinc/32/71/40/559327140.db2.gz GBXPYTYFJPOOQO-CHWSQXEVSA-N -1 3 370.427 2.484 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428384007 559774442 /nfs/dbraw/zinc/77/44/42/559774442.db2.gz BGVOMIWDFGYTCM-SNVBAGLBSA-N -1 3 354.409 2.116 20 5 FEBDHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000433767906 559887533 /nfs/dbraw/zinc/88/75/33/559887533.db2.gz YXVSORZREPJPQQ-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](OCCN2CCCCC2)C1 ZINC000436678609 559948494 /nfs/dbraw/zinc/94/84/94/559948494.db2.gz HGHANEQNAIUQQE-HNNXBMFYSA-N -1 3 363.414 2.017 20 5 FEBDHM O=C(NCCNc1c2ccccc2ncc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000436718443 559950011 /nfs/dbraw/zinc/95/00/11/559950011.db2.gz WVSPUFRECXICGZ-UHFFFAOYSA-N -1 3 352.350 2.112 20 5 FEBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436750393 559951101 /nfs/dbraw/zinc/95/11/01/559951101.db2.gz NSCCBKXNXVWPJE-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc2C1 ZINC000436973113 559958123 /nfs/dbraw/zinc/95/81/23/559958123.db2.gz RLQGZFBPYTWNAS-UHFFFAOYSA-N -1 3 355.394 2.129 20 5 FEBDHM CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436981185 559958398 /nfs/dbraw/zinc/95/83/98/559958398.db2.gz TYKOQFJVESGNTB-UHFFFAOYSA-N -1 3 373.409 2.213 20 5 FEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442929171 560062626 /nfs/dbraw/zinc/06/26/26/560062626.db2.gz FJAXCZWYKSLJOK-UHFFFAOYSA-N -1 3 360.248 2.424 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000443140293 560072375 /nfs/dbraw/zinc/07/23/75/560072375.db2.gz BNHYKWBRRYPFBG-UHFFFAOYSA-N -1 3 354.388 2.062 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c([N+](=O)[O-])c1 ZINC000443248379 560076131 /nfs/dbraw/zinc/07/61/31/560076131.db2.gz MOZGSXMIRGFVHS-OAHLLOKOSA-N -1 3 360.432 2.069 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000443381341 560082708 /nfs/dbraw/zinc/08/27/08/560082708.db2.gz JNCIJMGFXPDUNE-LLVKDONJSA-N -1 3 366.395 2.219 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000443686766 560090401 /nfs/dbraw/zinc/09/04/01/560090401.db2.gz FZAWFBRRMSNFCZ-UHFFFAOYSA-N -1 3 370.427 2.136 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1 ZINC000443931947 560096674 /nfs/dbraw/zinc/09/66/74/560096674.db2.gz XHXIZWJMMBVWKJ-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCN2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443977595 560098120 /nfs/dbraw/zinc/09/81/20/560098120.db2.gz IQBIMUSCNSLAJY-UHFFFAOYSA-N -1 3 355.460 2.304 20 5 FEBDHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449888146 560244354 /nfs/dbraw/zinc/24/43/54/560244354.db2.gz OUKBBBCWIHMJAZ-LBPRGKRZSA-N -1 3 360.345 2.090 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451827426 560331174 /nfs/dbraw/zinc/33/11/74/560331174.db2.gz UIEZVJSDFPMANQ-SECBINFHSA-N -1 3 350.343 2.317 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451853071 560332370 /nfs/dbraw/zinc/33/23/70/560332370.db2.gz LGQHPQKUNHEECR-HIFRSBDPSA-N -1 3 358.460 2.471 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)c1 ZINC000451861107 560333040 /nfs/dbraw/zinc/33/30/40/560333040.db2.gz UTRCCNQHFOGYHH-WFASDCNBSA-N -1 3 374.846 2.324 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000452046310 560347653 /nfs/dbraw/zinc/34/76/53/560347653.db2.gz KRBPUSLMQAAYQX-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CCc1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000457118959 560550569 /nfs/dbraw/zinc/55/05/69/560550569.db2.gz IGORQUJBJBABQH-UHFFFAOYSA-N -1 3 356.382 2.220 20 5 FEBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)cc1 ZINC000466553640 560889808 /nfs/dbraw/zinc/88/98/08/560889808.db2.gz XHUCXMWIDBKJRI-OAHLLOKOSA-N -1 3 366.370 2.330 20 5 FEBDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467081162 560903121 /nfs/dbraw/zinc/90/31/21/560903121.db2.gz LACFWMBNDVFYGP-LLVKDONJSA-N -1 3 374.440 2.484 20 5 FEBDHM COc1ccc(OCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467403422 560909449 /nfs/dbraw/zinc/90/94/49/560909449.db2.gz WJXYJTDFGJWTHP-UHFFFAOYSA-N -1 3 372.424 2.331 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(F)c1 ZINC000467768841 560916836 /nfs/dbraw/zinc/91/68/36/560916836.db2.gz ICEFFAQOOYQJIZ-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473956482 561062134 /nfs/dbraw/zinc/06/21/34/561062134.db2.gz MLNHZNYVGSXLFU-WDEREUQCSA-N -1 3 361.489 2.363 20 5 FEBDHM CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([O-])c1 ZINC000530325569 562406910 /nfs/dbraw/zinc/40/69/10/562406910.db2.gz NKRNAVDMRMVMBI-UHFFFAOYSA-N -1 3 356.382 2.220 20 5 FEBDHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000537183052 562587301 /nfs/dbraw/zinc/58/73/01/562587301.db2.gz MVUIEUXJWZMPRH-ZDUSSCGKSA-N -1 3 362.835 2.324 20 5 FEBDHM CCc1ccc(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736690396 599156931 /nfs/dbraw/zinc/15/69/31/599156931.db2.gz KGSBLWFFVHEBFE-UHFFFAOYSA-N -1 3 369.337 2.322 20 5 FEBDHM Cc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000822177376 599163449 /nfs/dbraw/zinc/16/34/49/599163449.db2.gz YDVWWAQPUIOBRV-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000822177376 599163450 /nfs/dbraw/zinc/16/34/50/599163450.db2.gz YDVWWAQPUIOBRV-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CC1CCCCC1 ZINC000738358478 599177756 /nfs/dbraw/zinc/17/77/56/599177756.db2.gz MLBFAQQXQSEZSF-UHFFFAOYSA-N -1 3 367.387 2.064 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CC1CCCCC1 ZINC000738358478 599177757 /nfs/dbraw/zinc/17/77/57/599177757.db2.gz MLBFAQQXQSEZSF-UHFFFAOYSA-N -1 3 367.387 2.064 20 5 FEBDHM Cc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822066512 607270539 /nfs/dbraw/zinc/27/05/39/607270539.db2.gz FMTODACJJIOQJW-UHFFFAOYSA-N -1 3 367.369 2.158 20 5 FEBDHM Cc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822066512 607270540 /nfs/dbraw/zinc/27/05/40/607270540.db2.gz FMTODACJJIOQJW-UHFFFAOYSA-N -1 3 367.369 2.158 20 5 FEBDHM COc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737065392 598310625 /nfs/dbraw/zinc/31/06/25/598310625.db2.gz FFGIUQHQASSKSW-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM COc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737065392 598310627 /nfs/dbraw/zinc/31/06/27/598310627.db2.gz FFGIUQHQASSKSW-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000738368150 598310929 /nfs/dbraw/zinc/31/09/29/598310929.db2.gz ACHZEOLPXYIPDZ-UHFFFAOYSA-N -1 3 359.277 2.434 20 5 FEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000738368150 598310930 /nfs/dbraw/zinc/31/09/30/598310930.db2.gz ACHZEOLPXYIPDZ-UHFFFAOYSA-N -1 3 359.277 2.434 20 5 FEBDHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737511808 598340009 /nfs/dbraw/zinc/34/00/09/598340009.db2.gz UDWKTOIDGDLZFF-AWEZNQCLSA-N -1 3 368.401 2.467 20 5 FEBDHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737511808 598340011 /nfs/dbraw/zinc/34/00/11/598340011.db2.gz UDWKTOIDGDLZFF-AWEZNQCLSA-N -1 3 368.401 2.467 20 5 FEBDHM COC(=O)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736919648 598501954 /nfs/dbraw/zinc/50/19/54/598501954.db2.gz VGAARVWSTHTOFK-UHFFFAOYSA-N -1 3 369.341 2.019 20 5 FEBDHM COC(=O)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736919648 598501955 /nfs/dbraw/zinc/50/19/55/598501955.db2.gz VGAARVWSTHTOFK-UHFFFAOYSA-N -1 3 369.341 2.019 20 5 FEBDHM Cc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826282324 607359617 /nfs/dbraw/zinc/35/96/17/607359617.db2.gz ITOYLWMXAFWEFR-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826282324 607359619 /nfs/dbraw/zinc/35/96/19/607359619.db2.gz ITOYLWMXAFWEFR-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736868482 598522759 /nfs/dbraw/zinc/52/27/59/598522759.db2.gz RVPQDYWUBNVOAA-UHFFFAOYSA-N -1 3 351.370 2.231 20 5 FEBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736868482 598522760 /nfs/dbraw/zinc/52/27/60/598522760.db2.gz RVPQDYWUBNVOAA-UHFFFAOYSA-N -1 3 351.370 2.231 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc2c1OCCO2 ZINC000738357648 598567603 /nfs/dbraw/zinc/56/76/03/598567603.db2.gz HCPBIFXHSHYURL-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc2c1OCCO2 ZINC000738357648 598567605 /nfs/dbraw/zinc/56/76/05/598567605.db2.gz HCPBIFXHSHYURL-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM Cc1ccc2c(c1C)OC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737374993 598613341 /nfs/dbraw/zinc/61/33/41/598613341.db2.gz BIBQUWYDVIQLAO-CYBMUJFWSA-N -1 3 353.342 2.332 20 5 FEBDHM Cc1ccc2c(c1C)OC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737374993 598613343 /nfs/dbraw/zinc/61/33/43/598613343.db2.gz BIBQUWYDVIQLAO-CYBMUJFWSA-N -1 3 353.342 2.332 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000738370166 598629910 /nfs/dbraw/zinc/62/99/10/598629910.db2.gz RGCBRFSZDRUHAL-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738370166 598629912 /nfs/dbraw/zinc/62/99/12/598629912.db2.gz RGCBRFSZDRUHAL-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000737941217 598655858 /nfs/dbraw/zinc/65/58/58/598655858.db2.gz JJJVITBZBUCAIO-UHFFFAOYSA-N -1 3 370.394 2.183 20 5 FEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000737941217 598655859 /nfs/dbraw/zinc/65/58/59/598655859.db2.gz JJJVITBZBUCAIO-UHFFFAOYSA-N -1 3 370.394 2.183 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000736950699 598752038 /nfs/dbraw/zinc/75/20/38/598752038.db2.gz MHZCLPQAHGIBIY-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000736950699 598752039 /nfs/dbraw/zinc/75/20/39/598752039.db2.gz MHZCLPQAHGIBIY-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM C[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736156432 598778438 /nfs/dbraw/zinc/77/84/38/598778438.db2.gz WBFLICYXABMSHG-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826293575 607376839 /nfs/dbraw/zinc/37/68/39/607376839.db2.gz UMKXXSGRAYRSFK-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826293575 607376841 /nfs/dbraw/zinc/37/68/41/607376841.db2.gz UMKXXSGRAYRSFK-UHFFFAOYSA-N -1 3 367.321 2.123 20 5 FEBDHM Cc1cc(C)c(S(=O)(=O)[N-]CC(F)(F)Br)cc1[N+](=O)[O-] ZINC000808572736 674463560 /nfs/dbraw/zinc/46/35/60/674463560.db2.gz KVHXBPJUVKOXPU-UHFFFAOYSA-N -1 3 373.175 2.478 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3cscn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645090 599507546 /nfs/dbraw/zinc/50/75/46/599507546.db2.gz NQTGLYLZRPMOTP-UHFFFAOYSA-N -1 3 354.355 2.392 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCc3cscn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645090 599507548 /nfs/dbraw/zinc/50/75/48/599507548.db2.gz NQTGLYLZRPMOTP-UHFFFAOYSA-N -1 3 354.355 2.392 20 5 FEBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822168866 599553408 /nfs/dbraw/zinc/55/34/08/599553408.db2.gz UGGGCHBZZZTPRH-JTQLQIEISA-N -1 3 367.369 2.157 20 5 FEBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822168866 599553410 /nfs/dbraw/zinc/55/34/10/599553410.db2.gz UGGGCHBZZZTPRH-JTQLQIEISA-N -1 3 367.369 2.157 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645966 599574608 /nfs/dbraw/zinc/57/46/08/599574608.db2.gz YJCOSJGZPZRSJE-CMPLNLGQSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645966 599574609 /nfs/dbraw/zinc/57/46/09/599574609.db2.gz YJCOSJGZPZRSJE-CMPLNLGQSA-N -1 3 369.385 2.286 20 5 FEBDHM Cc1c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826235217 607441058 /nfs/dbraw/zinc/44/10/58/607441058.db2.gz FOQYDTLGNKTBRZ-UHFFFAOYSA-N -1 3 352.354 2.289 20 5 FEBDHM Cc1c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235217 607441061 /nfs/dbraw/zinc/44/10/61/607441061.db2.gz FOQYDTLGNKTBRZ-UHFFFAOYSA-N -1 3 352.354 2.289 20 5 FEBDHM O=C(CCSc1ccc([N+](=O)[O-])cn1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822974612 607461834 /nfs/dbraw/zinc/46/18/34/607461834.db2.gz UODVKCCTSKHCLK-UHFFFAOYSA-N -1 3 371.382 2.291 20 5 FEBDHM O=C(CCSc1ccc([N+](=O)[O-])cn1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822974612 607461835 /nfs/dbraw/zinc/46/18/35/607461835.db2.gz UODVKCCTSKHCLK-UHFFFAOYSA-N -1 3 371.382 2.291 20 5 FEBDHM CC(C)[C@](C)(CNC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000738774374 603138356 /nfs/dbraw/zinc/13/83/56/603138356.db2.gz WHHBXVBEBQCPRC-INIZCTEOSA-N -1 3 353.375 2.233 20 5 FEBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000834181888 605328344 /nfs/dbraw/zinc/32/83/44/605328344.db2.gz MQTWBJXKESUGRJ-BYCMXARLSA-N -1 3 359.386 2.270 20 5 FEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](CCO)c1ccccc1 ZINC000821618938 606061632 /nfs/dbraw/zinc/06/16/32/606061632.db2.gz BWMDNXZUNVGRNV-HNNXBMFYSA-N -1 3 354.370 2.335 20 5 FEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](CCO)c1ccccc1 ZINC000821618938 606061635 /nfs/dbraw/zinc/06/16/35/606061635.db2.gz BWMDNXZUNVGRNV-HNNXBMFYSA-N -1 3 354.370 2.335 20 5 FEBDHM C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820494611 606397668 /nfs/dbraw/zinc/39/76/68/606397668.db2.gz BNISKQQTZDIGAG-LLVKDONJSA-N -1 3 368.353 2.491 20 5 FEBDHM C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820494611 606397670 /nfs/dbraw/zinc/39/76/70/606397670.db2.gz BNISKQQTZDIGAG-LLVKDONJSA-N -1 3 368.353 2.491 20 5 FEBDHM Cc1ccc([C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822232749 606475532 /nfs/dbraw/zinc/47/55/32/606475532.db2.gz ADZAKQMEZCNSLE-AWEZNQCLSA-N -1 3 356.342 2.254 20 5 FEBDHM Cc1ccc([C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000822232749 606475534 /nfs/dbraw/zinc/47/55/34/606475534.db2.gz ADZAKQMEZCNSLE-AWEZNQCLSA-N -1 3 356.342 2.254 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1-c1nnn[n-]1 ZINC000823634182 606644171 /nfs/dbraw/zinc/64/41/71/606644171.db2.gz BXNBOWLIPGNVEA-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1OC ZINC000821867398 606645482 /nfs/dbraw/zinc/64/54/82/606645482.db2.gz FGOSPISYTDYIOV-UHFFFAOYSA-N -1 3 356.342 2.404 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821765345 606721914 /nfs/dbraw/zinc/72/19/14/606721914.db2.gz AKNVNZGZJTVXLB-UHFFFAOYSA-N -1 3 372.316 2.483 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccsc3)C2)c(-c2nnn[n-]2)c1 ZINC000823640094 606949705 /nfs/dbraw/zinc/94/97/05/606949705.db2.gz SCNPQQSQDVIIGF-CQSZACIVSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccsc3)C2)c(-c2nn[n-]n2)c1 ZINC000823640094 606949707 /nfs/dbraw/zinc/94/97/07/606949707.db2.gz SCNPQQSQDVIIGF-CQSZACIVSA-N -1 3 358.383 2.414 20 5 FEBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820234356 607041551 /nfs/dbraw/zinc/04/15/51/607041551.db2.gz OCTGPZLWFHAQJL-XPTSAGLGSA-N -1 3 373.348 2.233 20 5 FEBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820234356 607041552 /nfs/dbraw/zinc/04/15/52/607041552.db2.gz OCTGPZLWFHAQJL-XPTSAGLGSA-N -1 3 373.348 2.233 20 5 FEBDHM O=[N+]([O-])c1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823648009 607165341 /nfs/dbraw/zinc/16/53/41/607165341.db2.gz RQECSEOSCZCDLM-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000823648009 607165342 /nfs/dbraw/zinc/16/53/42/607165342.db2.gz RQECSEOSCZCDLM-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1-c1nnn[n-]1 ZINC000826004336 607846906 /nfs/dbraw/zinc/84/69/06/607846906.db2.gz SOZZQBUJZUIULG-UHFFFAOYSA-N -1 3 350.342 2.219 20 5 FEBDHM CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1-c1nn[n-]n1 ZINC000826004336 607846907 /nfs/dbraw/zinc/84/69/07/607846907.db2.gz SOZZQBUJZUIULG-UHFFFAOYSA-N -1 3 350.342 2.219 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1c(F)cccc1F ZINC000826497325 607873538 /nfs/dbraw/zinc/87/35/38/607873538.db2.gz CKKVHWPQAUUEOC-GFCCVEGCSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1c(F)cccc1F ZINC000826497325 607873539 /nfs/dbraw/zinc/87/35/39/607873539.db2.gz CKKVHWPQAUUEOC-GFCCVEGCSA-N -1 3 363.280 2.166 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826304759 608008875 /nfs/dbraw/zinc/00/88/75/608008875.db2.gz XAMXLBRVBYUMQF-LLVKDONJSA-N -1 3 369.337 2.456 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826304759 608008876 /nfs/dbraw/zinc/00/88/76/608008876.db2.gz XAMXLBRVBYUMQF-LLVKDONJSA-N -1 3 369.337 2.456 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500854 608052765 /nfs/dbraw/zinc/05/27/65/608052765.db2.gz OWKICVBMBNWLCQ-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500854 608052766 /nfs/dbraw/zinc/05/27/66/608052766.db2.gz OWKICVBMBNWLCQ-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCS1 ZINC000826451111 608162414 /nfs/dbraw/zinc/16/24/14/608162414.db2.gz QPINHTYGBADPBM-VIFPVBQESA-N -1 3 354.779 2.262 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCS1 ZINC000826451111 608162415 /nfs/dbraw/zinc/16/24/15/608162415.db2.gz QPINHTYGBADPBM-VIFPVBQESA-N -1 3 354.779 2.262 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCC(=O)CC1 ZINC000826480260 608164181 /nfs/dbraw/zinc/16/41/81/608164181.db2.gz WFBIYISKNWMWFC-UHFFFAOYSA-N -1 3 364.749 2.126 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCC(=O)CC1 ZINC000826480260 608164183 /nfs/dbraw/zinc/16/41/83/608164183.db2.gz WFBIYISKNWMWFC-UHFFFAOYSA-N -1 3 364.749 2.126 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000826172719 608346282 /nfs/dbraw/zinc/34/62/82/608346282.db2.gz USZPIXHMPWWTEW-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000826172719 608346283 /nfs/dbraw/zinc/34/62/83/608346283.db2.gz USZPIXHMPWWTEW-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443210 608575707 /nfs/dbraw/zinc/57/57/07/608575707.db2.gz GGKKBHKVOHEEDK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443210 608575708 /nfs/dbraw/zinc/57/57/08/608575708.db2.gz GGKKBHKVOHEEDK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM Cc1cc(COC(=O)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826267733 609284568 /nfs/dbraw/zinc/28/45/68/609284568.db2.gz SWUCADJOQQCQHE-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM Cc1cc(COC(=O)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826267733 609284570 /nfs/dbraw/zinc/28/45/70/609284570.db2.gz SWUCADJOQQCQHE-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM COCC[C@@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826154491 609590063 /nfs/dbraw/zinc/59/00/63/609590063.db2.gz QJRANHQRTROXGP-LBPRGKRZSA-N -1 3 358.358 2.428 20 5 FEBDHM COCC[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826154491 609590064 /nfs/dbraw/zinc/59/00/64/609590064.db2.gz QJRANHQRTROXGP-LBPRGKRZSA-N -1 3 358.358 2.428 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000126304129 672023065 /nfs/dbraw/zinc/02/30/65/672023065.db2.gz KEFUSHAQIRGDAK-MWLCHTKSSA-N -1 3 359.835 2.152 20 5 FEBDHM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000178613314 672393021 /nfs/dbraw/zinc/39/30/21/672393021.db2.gz NWRQNYKDXGAPIK-JTQLQIEISA-N -1 3 354.359 2.266 20 5 FEBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592084103 672751033 /nfs/dbraw/zinc/75/10/33/672751033.db2.gz UDJZQOJPAFIQDF-ZJUUUORDSA-N -1 3 350.824 2.324 20 5 FEBDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573398 672947756 /nfs/dbraw/zinc/94/77/56/672947756.db2.gz QOXTWXOLMQFNQD-BMIGLBTASA-N -1 3 369.374 2.183 20 5 FEBDHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595380728 673238319 /nfs/dbraw/zinc/23/83/19/673238319.db2.gz BLGKXDDSRNCKPN-NHYWBVRUSA-N -1 3 368.386 2.177 20 5 FEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(C[C@H]1COCCO1)C(F)(F)F ZINC000597442610 673478167 /nfs/dbraw/zinc/47/81/67/673478167.db2.gz MKWAPVMQJHMEKZ-UWVGGRQHSA-N -1 3 364.276 2.223 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c(F)c1 ZINC000542318979 673575275 /nfs/dbraw/zinc/57/52/75/673575275.db2.gz AGKCQLRZYXJKQI-CQSZACIVSA-N -1 3 368.386 2.006 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)c(F)c1 ZINC000599379574 673666627 /nfs/dbraw/zinc/66/66/27/673666627.db2.gz HUJZEDZPMBNZHT-AWEZNQCLSA-N -1 3 366.370 2.154 20 5 FEBDHM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000543975554 673680651 /nfs/dbraw/zinc/68/06/51/673680651.db2.gz VFSUHJRLZLGZTF-SFYZADRCSA-N -1 3 356.322 2.051 20 5 FEBDHM Cc1ncc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000544261800 673701090 /nfs/dbraw/zinc/70/10/90/673701090.db2.gz RPTCFYZTINEPRQ-UHFFFAOYSA-N -1 3 367.159 2.091 20 5 FEBDHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000545852689 673777728 /nfs/dbraw/zinc/77/77/28/673777728.db2.gz INWZBXNJWINKKE-UHFFFAOYSA-N -1 3 368.415 2.097 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601374182 673850909 /nfs/dbraw/zinc/85/09/09/673850909.db2.gz BVBGXKSICZOXOC-NSHDSACASA-N -1 3 358.391 2.422 20 5 FEBDHM O=C(Nc1nnc(Cc2ccccc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618344454 676335309 /nfs/dbraw/zinc/33/53/09/676335309.db2.gz YGVPDVAODCSRDQ-UHFFFAOYSA-N -1 3 357.351 2.390 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000832152769 680102831 /nfs/dbraw/zinc/10/28/31/680102831.db2.gz LGBZLHDAQNHORV-NSHDSACASA-N -1 3 369.226 2.466 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)N(C)C ZINC000832400851 680130045 /nfs/dbraw/zinc/13/00/45/680130045.db2.gz OURRYCZRCRWRQI-ZETCQYMHSA-N -1 3 356.231 2.130 20 5 FEBDHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000770512405 681018543 /nfs/dbraw/zinc/01/85/43/681018543.db2.gz LMWKLBGWNDBORS-ZWNOBZJWSA-N -1 3 358.416 2.163 20 5 FEBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000790926643 682713602 /nfs/dbraw/zinc/71/36/02/682713602.db2.gz PHAOKFYAJFCNDW-UHFFFAOYSA-N -1 3 366.736 2.010 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N(C)C1CC1 ZINC000795819811 683095200 /nfs/dbraw/zinc/09/52/00/683095200.db2.gz UVOYAVTXBOBBGC-QMMMGPOBSA-N -1 3 365.814 2.148 20 5 FEBDHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000921402603 683457846 /nfs/dbraw/zinc/45/78/46/683457846.db2.gz CJEGHKGOKQUBSR-GFCCVEGCSA-N -1 3 366.848 2.049 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000921864218 683599259 /nfs/dbraw/zinc/59/92/59/683599259.db2.gz RFVPBJXVCKINBS-BXKDBHETSA-N -1 3 368.333 2.149 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)c(F)c1 ZINC000867736295 684367052 /nfs/dbraw/zinc/36/70/52/684367052.db2.gz LHAJAMMHOXMAFY-ABAIWWIYSA-N -1 3 358.391 2.217 20 5 FEBDHM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000872656931 684997521 /nfs/dbraw/zinc/99/75/21/684997521.db2.gz PBSYRTJKUGOFJW-CIQACWJJSA-N -1 3 358.391 2.278 20 5 FEBDHM CCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016086121 539626768 /nfs/dbraw/zinc/62/67/68/539626768.db2.gz LKPQWXAEBQTNBC-UHFFFAOYSA-N -1 3 363.395 2.074 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](c1ccco1)N(C)C ZINC000046033831 540238370 /nfs/dbraw/zinc/23/83/70/540238370.db2.gz LHQLCUHKLHFCOF-CYBMUJFWSA-N -1 3 353.400 2.077 20 5 FEBDHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056043238 540696559 /nfs/dbraw/zinc/69/65/59/540696559.db2.gz WZFBZBNVHMVZCY-LBPRGKRZSA-N -1 3 370.818 2.338 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(Cn2cccn2)c1 ZINC000056140358 540706253 /nfs/dbraw/zinc/70/62/53/540706253.db2.gz WGEUZVQQGHHTEA-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM Cc1c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000064851435 541219863 /nfs/dbraw/zinc/21/98/63/541219863.db2.gz MCCUXDBYVRTKOL-SNVBAGLBSA-N -1 3 369.424 2.270 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066001620 541277710 /nfs/dbraw/zinc/27/77/10/541277710.db2.gz VTPZLBXLQQFQDC-UHFFFAOYSA-N -1 3 370.408 2.312 20 5 FEBDHM O=C(NCCCNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc([O-])c1 ZINC000542506645 541417390 /nfs/dbraw/zinc/41/73/90/541417390.db2.gz OAKPCSWDDBDULM-UHFFFAOYSA-N -1 3 367.365 2.476 20 5 FEBDHM Cc1ncc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c(=O)[n-]1 ZINC000542554860 541424386 /nfs/dbraw/zinc/42/43/86/541424386.db2.gz GJXMFHHHGSMTOO-UHFFFAOYSA-N -1 3 354.164 2.477 20 5 FEBDHM Cc1cc([N-]c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000543189648 541546229 /nfs/dbraw/zinc/54/62/29/541546229.db2.gz GRCSZMJJWFITAG-JTQLQIEISA-N -1 3 365.415 2.462 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)c(Cl)c1 ZINC000097271776 543009711 /nfs/dbraw/zinc/00/97/11/543009711.db2.gz UHMLBDWGSRPDKY-UKRRQHHQSA-N -1 3 368.798 2.185 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000101678784 543041458 /nfs/dbraw/zinc/04/14/58/543041458.db2.gz OBBNRQYZKIKHJA-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000125311283 543874501 /nfs/dbraw/zinc/87/45/01/543874501.db2.gz FVMOPJOTDAQQAH-LLVKDONJSA-N -1 3 356.425 2.285 20 5 FEBDHM Cc1nc(C)c(CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(=O)[n-]1 ZINC000129497549 544115833 /nfs/dbraw/zinc/11/58/33/544115833.db2.gz DVLQAVHSJNCZKN-UHFFFAOYSA-N -1 3 370.409 2.419 20 5 FEBDHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000183386050 327814823 /nfs/dbraw/zinc/81/48/23/327814823.db2.gz ORVMKRCMNPOTBE-UHFFFAOYSA-N -1 3 373.394 2.426 20 5 FEBDHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185262012 327909072 /nfs/dbraw/zinc/90/90/72/327909072.db2.gz YNWWXKGVLSRLJB-GKQMSVHHSA-N -1 3 368.333 2.219 20 5 FEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000186016433 327943380 /nfs/dbraw/zinc/94/33/80/327943380.db2.gz CZODIBCDVTUFNE-UHFFFAOYSA-N -1 3 359.725 2.062 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186919521 327990215 /nfs/dbraw/zinc/99/02/15/327990215.db2.gz FDNSYPUZPKRSGG-ZETCQYMHSA-N -1 3 361.376 2.239 20 5 FEBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000188537718 328093565 /nfs/dbraw/zinc/09/35/65/328093565.db2.gz NFFPWNSKFOGYHZ-YUMQZZPRSA-N -1 3 367.221 2.059 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000190054848 328185034 /nfs/dbraw/zinc/18/50/34/328185034.db2.gz CPDDUCHEDRLGBX-OAHLLOKOSA-N -1 3 364.423 2.266 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000193027264 328352693 /nfs/dbraw/zinc/35/26/93/328352693.db2.gz LZMMYQATOCSNNW-UHFFFAOYSA-N -1 3 367.358 2.287 20 5 FEBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119291751 326145868 /nfs/dbraw/zinc/14/58/68/326145868.db2.gz JNQDBQRQAZFXAR-SECBINFHSA-N -1 3 356.322 2.053 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000120753834 326284842 /nfs/dbraw/zinc/28/48/42/326284842.db2.gz SROIVFRNGUETHC-SCZZXKLOSA-N -1 3 350.824 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000127772992 326512329 /nfs/dbraw/zinc/51/23/29/326512329.db2.gz NZMXYZPMMKOGID-SMDDNHRTSA-N -1 3 360.407 2.344 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1C ZINC000129219863 326536795 /nfs/dbraw/zinc/53/67/95/326536795.db2.gz YPVWOPKHBVKLCQ-NFAWXSAZSA-N -1 3 354.428 2.448 20 5 FEBDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000129372751 326539423 /nfs/dbraw/zinc/53/94/23/326539423.db2.gz HNZAEPQGDFYOLR-UHFFFAOYSA-N -1 3 372.378 2.151 20 5 FEBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000160977733 326984134 /nfs/dbraw/zinc/98/41/34/326984134.db2.gz PHIZKEJBOXGZFK-UHFFFAOYSA-N -1 3 368.333 2.461 20 5 FEBDHM CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000264207181 329000132 /nfs/dbraw/zinc/00/01/32/329000132.db2.gz GUXQHMGOCJPQGH-UHFFFAOYSA-N -1 3 373.409 2.213 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000266712418 329252000 /nfs/dbraw/zinc/25/20/00/329252000.db2.gz HQGLVUWUNNQBEB-UHFFFAOYSA-N -1 3 358.416 2.089 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000269909027 329559384 /nfs/dbraw/zinc/55/93/84/329559384.db2.gz ZZJIDLKFFWPGIS-AWEZNQCLSA-N -1 3 366.395 2.005 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000272163942 329756737 /nfs/dbraw/zinc/75/67/37/329756737.db2.gz ZQMQILFYSFGYAE-UHFFFAOYSA-N -1 3 372.443 2.215 20 5 FEBDHM CC(C)(C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000273860370 329897965 /nfs/dbraw/zinc/89/79/65/329897965.db2.gz NTCWKDOYMPOWRX-UHFFFAOYSA-N -1 3 360.345 2.092 20 5 FEBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000274017884 329909066 /nfs/dbraw/zinc/90/90/66/329909066.db2.gz VRCLJRMHZCHMQG-SECBINFHSA-N -1 3 357.413 2.237 20 5 FEBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155576238 545544672 /nfs/dbraw/zinc/54/46/72/545544672.db2.gz AQVKVJMYRGRGDQ-ZDUSSCGKSA-N -1 3 356.425 2.118 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000155777290 545569522 /nfs/dbraw/zinc/56/95/22/545569522.db2.gz GXWUCXAXIHUCGT-HONMWMINSA-N -1 3 372.830 2.484 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c1[N+](=O)[O-] ZINC000478150938 561160937 /nfs/dbraw/zinc/16/09/37/561160937.db2.gz GVSPODBILLDUDT-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM CCC[C@@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OC ZINC000478871067 561176659 /nfs/dbraw/zinc/17/66/59/561176659.db2.gz NUJLPJNTSPYGRO-OAHLLOKOSA-N -1 3 358.416 2.222 20 5 FEBDHM COc1cc(CC[N-]C(=O)C(F)(F)C(F)F)c([N+](=O)[O-])cc1OC ZINC000175816330 546356529 /nfs/dbraw/zinc/35/65/29/546356529.db2.gz PQITYIBYGOBVEH-UHFFFAOYSA-N -1 3 354.256 2.171 20 5 FEBDHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480690188 561214572 /nfs/dbraw/zinc/21/45/72/561214572.db2.gz ANEARPZBGIAXDI-NEPJUHHUSA-N -1 3 358.416 2.078 20 5 FEBDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000480748493 561215848 /nfs/dbraw/zinc/21/58/48/561215848.db2.gz IAANAHIOKFMTOR-SNVBAGLBSA-N -1 3 362.379 2.133 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000480746579 561215938 /nfs/dbraw/zinc/21/59/38/561215938.db2.gz BYZGVEMQZRHRNB-SECBINFHSA-N -1 3 364.445 2.363 20 5 FEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC000480851771 561218201 /nfs/dbraw/zinc/21/82/01/561218201.db2.gz KFZXLDAJHIATPU-LBPRGKRZSA-N -1 3 350.824 2.322 20 5 FEBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1OC ZINC000480864881 561218709 /nfs/dbraw/zinc/21/87/09/561218709.db2.gz BDGMHFMIJTTWNY-HUUCEWRRSA-N -1 3 372.443 2.475 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c(Cl)c1 ZINC000177728189 546675731 /nfs/dbraw/zinc/67/57/31/546675731.db2.gz BFMUILXPCMEXMX-UHFFFAOYSA-N -1 3 366.786 2.374 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C)c1[N+](=O)[O-] ZINC000481073501 561224544 /nfs/dbraw/zinc/22/45/44/561224544.db2.gz PLADRXKHXYGYRT-GFCCVEGCSA-N -1 3 358.416 2.078 20 5 FEBDHM C[C@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000482231548 561250774 /nfs/dbraw/zinc/25/07/74/561250774.db2.gz OERCPXVVDDROOK-LURJTMIESA-N -1 3 361.255 2.291 20 5 FEBDHM C[C@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000482231548 561250775 /nfs/dbraw/zinc/25/07/75/561250775.db2.gz OERCPXVVDDROOK-LURJTMIESA-N -1 3 361.255 2.291 20 5 FEBDHM C[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000482231548 561250776 /nfs/dbraw/zinc/25/07/76/561250776.db2.gz OERCPXVVDDROOK-LURJTMIESA-N -1 3 361.255 2.291 20 5 FEBDHM CCCC(C)(C)CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000485496701 561320391 /nfs/dbraw/zinc/32/03/91/561320391.db2.gz FKORZTPFZPHJBO-UHFFFAOYSA-N -1 3 371.459 2.206 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn(C)c1=O ZINC000486519947 561349731 /nfs/dbraw/zinc/34/97/31/561349731.db2.gz OPDGYDBQVCOSTG-UHFFFAOYSA-N -1 3 357.775 2.056 20 5 FEBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000486627125 561352651 /nfs/dbraw/zinc/35/26/51/561352651.db2.gz SRWVQQITVWFFLG-JGVFFNPUSA-N -1 3 359.433 2.327 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000486683566 561354307 /nfs/dbraw/zinc/35/43/07/561354307.db2.gz PUBAGABVRSULAW-VIFPVBQESA-N -1 3 350.343 2.460 20 5 FEBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487644982 561373126 /nfs/dbraw/zinc/37/31/26/561373126.db2.gz KXKQAAZJJOFQGW-UHFFFAOYSA-N -1 3 371.334 2.489 20 5 FEBDHM Cc1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000263692702 549921091 /nfs/dbraw/zinc/92/10/91/549921091.db2.gz NBAQPGSJXLQMCI-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263734866 549928123 /nfs/dbraw/zinc/92/81/23/549928123.db2.gz UHUWYZLNPKGZEU-UHFFFAOYSA-N -1 3 358.807 2.122 20 5 FEBDHM Cc1nn2c(nnc2SCCCOc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000264441454 549996052 /nfs/dbraw/zinc/99/60/52/549996052.db2.gz MISVLJIQGXCLTF-UHFFFAOYSA-N -1 3 362.371 2.003 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000271726971 550397834 /nfs/dbraw/zinc/39/78/34/550397834.db2.gz UPIZDWRDGUYPAO-SMDDNHRTSA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c1[N+](=O)[O-] ZINC000276912434 550610234 /nfs/dbraw/zinc/61/02/34/550610234.db2.gz XIQZMTHPZZMPEI-LBPRGKRZSA-N -1 3 350.400 2.291 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000277224955 550645353 /nfs/dbraw/zinc/64/53/53/550645353.db2.gz IEBQXLWGXDXYGZ-GFCCVEGCSA-N -1 3 372.303 2.362 20 5 FEBDHM COC(=O)c1cc(NC([O-])=NO[C@@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000277302139 550653676 /nfs/dbraw/zinc/65/36/76/550653676.db2.gz UJYSBLFTTZFOJH-CYBMUJFWSA-N -1 3 353.331 2.270 20 5 FEBDHM COC(=O)c1cc(NC(=O)[N-]O[C@@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000277302139 550653678 /nfs/dbraw/zinc/65/36/78/550653678.db2.gz UJYSBLFTTZFOJH-CYBMUJFWSA-N -1 3 353.331 2.270 20 5 FEBDHM Cc1cnc([N-]c2cnn(Cc3nnc4n3CCCC4)c2)c([N+](=O)[O-])c1 ZINC000277621131 550692857 /nfs/dbraw/zinc/69/28/57/550692857.db2.gz BYMCWQLEYOROLN-UHFFFAOYSA-N -1 3 354.374 2.214 20 5 FEBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278044292 550742342 /nfs/dbraw/zinc/74/23/42/550742342.db2.gz CHGFCDDBBXSDGU-BBRMVZONSA-N -1 3 370.409 2.336 20 5 FEBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278191878 550759393 /nfs/dbraw/zinc/75/93/93/550759393.db2.gz OWRBSLRAWDRLKQ-HNNXBMFYSA-N -1 3 356.382 2.042 20 5 FEBDHM CCC(=O)c1ccc(N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c([N+](=O)[O-])c1 ZINC000286536310 551897172 /nfs/dbraw/zinc/89/71/72/551897172.db2.gz YYKPGCXMKCPDAR-SGTLLEGYSA-N -1 3 374.397 2.145 20 5 FEBDHM O=C1[N-]C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000499234878 561546398 /nfs/dbraw/zinc/54/63/98/561546398.db2.gz OPFGZDWGRVZJRG-CQSZACIVSA-N -1 3 372.406 2.059 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c1C ZINC000503209601 561636795 /nfs/dbraw/zinc/63/67/95/561636795.db2.gz ATMLCDXXARPENA-UHFFFAOYSA-N -1 3 366.424 2.399 20 5 FEBDHM CC(C)CCn1ccc([N-]c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000302023484 553698888 /nfs/dbraw/zinc/69/88/88/553698888.db2.gz JIRRFHZZXWSSDI-UHFFFAOYSA-N -1 3 353.404 2.228 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000328417467 553794005 /nfs/dbraw/zinc/79/40/05/553794005.db2.gz RQUCDZNWBPGOKS-COPLHBTASA-N -1 3 370.427 2.484 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000331345849 554249679 /nfs/dbraw/zinc/24/96/79/554249679.db2.gz QUZFIFZKEPOFCZ-SNVBAGLBSA-N -1 3 368.333 2.461 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520015 554279176 /nfs/dbraw/zinc/27/91/76/554279176.db2.gz NUYCXRTVLFRSQM-NOZJJQNGSA-N -1 3 359.835 2.009 20 5 FEBDHM Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N(C)C ZINC000510523197 561837572 /nfs/dbraw/zinc/83/75/72/561837572.db2.gz LGLFNIMMVSFGPH-WBMJQRKESA-N -1 3 358.398 2.425 20 5 FEBDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000510971148 561852633 /nfs/dbraw/zinc/85/26/33/561852633.db2.gz XADNVHYTDHNNMK-AWEZNQCLSA-N -1 3 355.460 2.364 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000511147587 561859211 /nfs/dbraw/zinc/85/92/11/561859211.db2.gz QRPKEPXNWWVURE-UHFFFAOYSA-N -1 3 356.400 2.057 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(Cc2ccccc2F)CC1 ZINC000363642298 555153304 /nfs/dbraw/zinc/15/33/04/555153304.db2.gz YNEAWYMNLIMTRG-UHFFFAOYSA-N -1 3 374.372 2.183 20 5 FEBDHM O=C(NC1CCN(Cc2ccsc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365661579 555634823 /nfs/dbraw/zinc/63/48/23/555634823.db2.gz HNYRGNPADPEXBR-UHFFFAOYSA-N -1 3 362.411 2.151 20 5 FEBDHM CN1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365776820 555665722 /nfs/dbraw/zinc/66/57/22/555665722.db2.gz DGCAQHISYMWSSM-UKRRQHHQSA-N -1 3 360.345 2.010 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000515725466 562020529 /nfs/dbraw/zinc/02/05/29/562020529.db2.gz PQROCSYNRKPFDQ-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000532347411 562474789 /nfs/dbraw/zinc/47/47/89/562474789.db2.gz XNMMDMYIIXZRBJ-CYBMUJFWSA-N -1 3 358.464 2.025 20 5 FEBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000518823854 562119312 /nfs/dbraw/zinc/11/93/12/562119312.db2.gz XQEOBVHOMWCDEK-UHFFFAOYSA-N -1 3 363.351 2.160 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000518881008 562120194 /nfs/dbraw/zinc/12/01/94/562120194.db2.gz SWIAISIBAQNTQS-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000518881008 562120195 /nfs/dbraw/zinc/12/01/95/562120195.db2.gz SWIAISIBAQNTQS-UHFFFAOYSA-N -1 3 363.337 2.186 20 5 FEBDHM O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000373255836 557659840 /nfs/dbraw/zinc/65/98/40/557659840.db2.gz NIAUWRMCSGBCCH-OAHLLOKOSA-N -1 3 370.409 2.337 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000521772184 562183276 /nfs/dbraw/zinc/18/32/76/562183276.db2.gz FXZVEIGKDIBCBV-RYUDHWBXSA-N -1 3 359.423 2.275 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000521937500 562186918 /nfs/dbraw/zinc/18/69/18/562186918.db2.gz KIFOJSVLCCKGHZ-LBPRGKRZSA-N -1 3 364.445 2.176 20 5 FEBDHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000378177841 558496675 /nfs/dbraw/zinc/49/66/75/558496675.db2.gz XHSCQKMFRFYOKV-UHFFFAOYSA-N -1 3 369.377 2.335 20 5 FEBDHM COCCOc1ncccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000524126907 562224143 /nfs/dbraw/zinc/22/41/43/562224143.db2.gz QRBBTXFVNQVCIR-UHFFFAOYSA-N -1 3 357.326 2.144 20 5 FEBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000525698606 562252595 /nfs/dbraw/zinc/25/25/95/562252595.db2.gz AYSOFDUXBCBAOX-UHFFFAOYSA-N -1 3 363.395 2.340 20 5 FEBDHM CC(C)OCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457044 559314263 /nfs/dbraw/zinc/31/42/63/559314263.db2.gz NCXXPNQDJVMZTH-UHFFFAOYSA-N -1 3 356.322 2.317 20 5 FEBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000416557657 559321733 /nfs/dbraw/zinc/32/17/33/559321733.db2.gz ZVSFIUSDNMKPDK-LLVKDONJSA-N -1 3 366.370 2.188 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@](C)(OC)C1CC1 ZINC000416586386 559323383 /nfs/dbraw/zinc/32/33/83/559323383.db2.gz HKPIGOBJPRDMHD-BONVTDFDSA-N -1 3 358.416 2.085 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c([N+](=O)[O-])c1 ZINC000416641493 559327002 /nfs/dbraw/zinc/32/70/02/559327002.db2.gz DJFSDAXTUAKVLH-CQSZACIVSA-N -1 3 364.379 2.153 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000420702267 559499134 /nfs/dbraw/zinc/49/91/34/559499134.db2.gz FXOXATJKMKEQHS-LLVKDONJSA-N -1 3 372.468 2.415 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000433641452 559885390 /nfs/dbraw/zinc/88/53/90/559885390.db2.gz FZINQXVRSUNHIV-UHFFFAOYSA-N -1 3 368.342 2.367 20 5 FEBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443291933 560078175 /nfs/dbraw/zinc/07/81/75/560078175.db2.gz BVHRWNMJKZGTBD-LBPRGKRZSA-N -1 3 370.349 2.443 20 5 FEBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443327393 560079887 /nfs/dbraw/zinc/07/98/87/560079887.db2.gz GIYXZZBHGSXWRU-UWVGGRQHSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000443959554 560097360 /nfs/dbraw/zinc/09/73/60/560097360.db2.gz HYEKOGHMBPVAIH-UHFFFAOYSA-N -1 3 368.321 2.228 20 5 FEBDHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444613459 560116782 /nfs/dbraw/zinc/11/67/82/560116782.db2.gz KETPTKMANXIDJL-UHFFFAOYSA-N -1 3 352.310 2.481 20 5 FEBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191887 560130558 /nfs/dbraw/zinc/13/05/58/560130558.db2.gz YCEOWBWCAAKWLQ-IUODEOHRSA-N -1 3 356.382 2.261 20 5 FEBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000445697292 560133812 /nfs/dbraw/zinc/13/38/12/560133812.db2.gz OPYUDJWNVIIKEQ-SNVBAGLBSA-N -1 3 367.383 2.047 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1[N+](=O)[O-] ZINC000451811316 560330093 /nfs/dbraw/zinc/33/00/93/560330093.db2.gz DTZBJQBCAXPSEK-UHFFFAOYSA-N -1 3 360.407 2.256 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C)O ZINC000451889136 560334964 /nfs/dbraw/zinc/33/49/64/560334964.db2.gz JZVHGDMUTDVHRD-XCBNKYQSSA-N -1 3 356.322 2.051 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)COC1 ZINC000451953797 560340388 /nfs/dbraw/zinc/34/03/88/560340388.db2.gz VJJNWBDBWCJLGY-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000451959982 560340807 /nfs/dbraw/zinc/34/08/07/560340807.db2.gz OISAOQZBPFHQNM-UHFFFAOYSA-N -1 3 355.372 2.022 20 5 FEBDHM CN(C)c1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)nc1 ZINC000460282466 560740739 /nfs/dbraw/zinc/74/07/39/560740739.db2.gz PVCMDJQIGHQOPU-UHFFFAOYSA-N -1 3 352.354 2.698 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nnc(C(C)C)s1 ZINC000467759994 560916614 /nfs/dbraw/zinc/91/66/14/560916614.db2.gz QQNRACAKCQJEBG-UHFFFAOYSA-N -1 3 356.429 2.357 20 5 FEBDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469363728 560953403 /nfs/dbraw/zinc/95/34/03/560953403.db2.gz PYNZGHJVBWYMMH-GHMZBOCLSA-N -1 3 358.416 2.484 20 5 FEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncc(C(=O)OC)s1 ZINC000470737249 560988218 /nfs/dbraw/zinc/98/82/18/560988218.db2.gz NJHMJQPVDCGKFJ-UHFFFAOYSA-N -1 3 351.340 2.489 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(C)cc21 ZINC000532167045 562469409 /nfs/dbraw/zinc/46/94/09/562469409.db2.gz BMHBHQLXLQCNBZ-CYBMUJFWSA-N -1 3 364.379 2.324 20 5 FEBDHM CCN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000537021323 562584256 /nfs/dbraw/zinc/58/42/56/562584256.db2.gz QMMYJTQLAJSIGW-UHFFFAOYSA-N -1 3 369.443 2.054 20 5 FEBDHM Cc1cccc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c1F ZINC000541015977 562600468 /nfs/dbraw/zinc/60/04/68/562600468.db2.gz VNVUMDCDGGTXAR-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM CCc1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736692711 599014312 /nfs/dbraw/zinc/01/43/12/599014312.db2.gz XEJNJBHNOQVEBG-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM CCc1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736692711 599014313 /nfs/dbraw/zinc/01/43/13/599014313.db2.gz XEJNJBHNOQVEBG-UHFFFAOYSA-N -1 3 368.353 2.355 20 5 FEBDHM CC(=O)Nc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819826646 599040455 /nfs/dbraw/zinc/04/04/55/599040455.db2.gz NGASEZVIOBSGRS-UHFFFAOYSA-N -1 3 353.342 2.345 20 5 FEBDHM CC(=O)Nc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819826646 599040457 /nfs/dbraw/zinc/04/04/57/599040457.db2.gz NGASEZVIOBSGRS-UHFFFAOYSA-N -1 3 353.342 2.345 20 5 FEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820281096 599069049 /nfs/dbraw/zinc/06/90/49/599069049.db2.gz QTDMOIHUBCOZFN-SECBINFHSA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820281096 599069053 /nfs/dbraw/zinc/06/90/53/599069053.db2.gz QTDMOIHUBCOZFN-SECBINFHSA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820288124 599080624 /nfs/dbraw/zinc/08/06/24/599080624.db2.gz SKMAQBHTCAFLQQ-LLVKDONJSA-N -1 3 355.358 2.187 20 5 FEBDHM C[C@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820288124 599080627 /nfs/dbraw/zinc/08/06/27/599080627.db2.gz SKMAQBHTCAFLQQ-LLVKDONJSA-N -1 3 355.358 2.187 20 5 FEBDHM CNc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821637502 607266557 /nfs/dbraw/zinc/26/65/57/607266557.db2.gz ISHJYFJHSGQBBO-UHFFFAOYSA-N -1 3 353.342 2.377 20 5 FEBDHM CNc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821637502 607266558 /nfs/dbraw/zinc/26/65/58/607266558.db2.gz ISHJYFJHSGQBBO-UHFFFAOYSA-N -1 3 353.342 2.377 20 5 FEBDHM Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cccc1-c1nnn[n-]1 ZINC000822076628 607268114 /nfs/dbraw/zinc/26/81/14/607268114.db2.gz OXXVVRZHQUUKJS-UHFFFAOYSA-N -1 3 372.316 2.240 20 5 FEBDHM Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cccc1-c1nn[n-]n1 ZINC000822076628 607268115 /nfs/dbraw/zinc/26/81/15/607268115.db2.gz OXXVVRZHQUUKJS-UHFFFAOYSA-N -1 3 372.316 2.240 20 5 FEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738368090 598235159 /nfs/dbraw/zinc/23/51/59/598235159.db2.gz DSLJZVDRLAIXGT-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM COc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737095667 598386683 /nfs/dbraw/zinc/38/66/83/598386683.db2.gz MRIJXFFZFYLWLH-UHFFFAOYSA-N -1 3 358.333 2.212 20 5 FEBDHM O=C(Nc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1)C1CC1 ZINC000738186575 598498827 /nfs/dbraw/zinc/49/88/27/598498827.db2.gz MREGVAMTGILCDB-UHFFFAOYSA-N -1 3 366.341 2.262 20 5 FEBDHM O=C(Nc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1)C1CC1 ZINC000738186575 598498829 /nfs/dbraw/zinc/49/88/29/598498829.db2.gz MREGVAMTGILCDB-UHFFFAOYSA-N -1 3 366.341 2.262 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737847121 598587921 /nfs/dbraw/zinc/58/79/21/598587921.db2.gz GCPOHNPEYAYLQQ-UHFFFAOYSA-N -1 3 371.332 2.355 20 5 FEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737847121 598587922 /nfs/dbraw/zinc/58/79/22/598587922.db2.gz GCPOHNPEYAYLQQ-UHFFFAOYSA-N -1 3 371.332 2.355 20 5 FEBDHM O=[N+]([O-])c1cnccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738374134 598756862 /nfs/dbraw/zinc/75/68/62/598756862.db2.gz JRXKRGFOZRNPED-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737924722 598779903 /nfs/dbraw/zinc/77/99/03/598779903.db2.gz JAIAWMQSFKSIRN-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737924722 598779905 /nfs/dbraw/zinc/77/99/05/598779905.db2.gz JAIAWMQSFKSIRN-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cnn(CC(F)(F)F)c1 ZINC000738357672 599304753 /nfs/dbraw/zinc/30/47/53/599304753.db2.gz ILUKKVLUNNSFTN-UHFFFAOYSA-N -1 3 354.252 2.277 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(CC(F)(F)F)c1 ZINC000738357672 599304755 /nfs/dbraw/zinc/30/47/55/599304755.db2.gz ILUKKVLUNNSFTN-UHFFFAOYSA-N -1 3 354.252 2.277 20 5 FEBDHM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736731797 599310050 /nfs/dbraw/zinc/31/00/50/599310050.db2.gz HUEUVDCPUUUAMD-UHFFFAOYSA-N -1 3 367.369 2.240 20 5 FEBDHM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736731797 599310054 /nfs/dbraw/zinc/31/00/54/599310054.db2.gz HUEUVDCPUUUAMD-UHFFFAOYSA-N -1 3 367.369 2.240 20 5 FEBDHM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000821421610 599315357 /nfs/dbraw/zinc/31/53/57/599315357.db2.gz AKQMQZZMQFEJGY-UHFFFAOYSA-N -1 3 357.330 2.321 20 5 FEBDHM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000821421610 599315360 /nfs/dbraw/zinc/31/53/60/599315360.db2.gz AKQMQZZMQFEJGY-UHFFFAOYSA-N -1 3 357.330 2.321 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000823651518 599317270 /nfs/dbraw/zinc/31/72/70/599317270.db2.gz MYUURORGGKBMEA-UHFFFAOYSA-N -1 3 368.382 2.434 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000823651518 599317273 /nfs/dbraw/zinc/31/72/73/599317273.db2.gz MYUURORGGKBMEA-UHFFFAOYSA-N -1 3 368.382 2.434 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccsc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639558 599386224 /nfs/dbraw/zinc/38/62/24/599386224.db2.gz DPOCFQUZCSWDJY-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccsc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639558 599386227 /nfs/dbraw/zinc/38/62/27/599386227.db2.gz DPOCFQUZCSWDJY-UHFFFAOYSA-N -1 3 371.426 2.159 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000821741236 607408659 /nfs/dbraw/zinc/40/86/59/607408659.db2.gz JDVXLWYVHMUYMP-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000821741236 607408661 /nfs/dbraw/zinc/40/86/61/607408661.db2.gz JDVXLWYVHMUYMP-UHFFFAOYSA-N -1 3 369.337 2.069 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000826428279 607417455 /nfs/dbraw/zinc/41/74/55/607417455.db2.gz VRAKVCQEQFGALO-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000826428279 607417457 /nfs/dbraw/zinc/41/74/57/607417457.db2.gz VRAKVCQEQFGALO-UHFFFAOYSA-N -1 3 368.328 2.333 20 5 FEBDHM CN(C)CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809843351 674515910 /nfs/dbraw/zinc/51/59/10/674515910.db2.gz NQRRQSIBBZAQPF-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826200680 607668403 /nfs/dbraw/zinc/66/84/03/607668403.db2.gz CRAPNTZRADEEGD-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826200680 607668405 /nfs/dbraw/zinc/66/84/05/607668405.db2.gz CRAPNTZRADEEGD-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM CC(C)CN(CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087208 606110824 /nfs/dbraw/zinc/11/08/24/606110824.db2.gz NCKMBCRVLZMQSX-UHFFFAOYSA-N -1 3 356.390 2.134 20 5 FEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821607321 606249756 /nfs/dbraw/zinc/24/97/56/606249756.db2.gz JWDOETACDGRIEK-UHFFFAOYSA-N -1 3 361.749 2.029 20 5 FEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821607321 606249758 /nfs/dbraw/zinc/24/97/58/606249758.db2.gz JWDOETACDGRIEK-UHFFFAOYSA-N -1 3 361.749 2.029 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@@H]1Cc1ccccc1 ZINC000823630501 606428082 /nfs/dbraw/zinc/42/80/82/606428082.db2.gz YYANVMYAGDVLLR-HNNXBMFYSA-N -1 3 366.381 2.223 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@@H]1Cc1ccccc1 ZINC000823630501 606428084 /nfs/dbraw/zinc/42/80/84/606428084.db2.gz YYANVMYAGDVLLR-HNNXBMFYSA-N -1 3 366.381 2.223 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820813265 606507992 /nfs/dbraw/zinc/50/79/92/606507992.db2.gz CHYLWTJTPCSPKZ-LLVKDONJSA-N -1 3 364.365 2.295 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820813265 606507994 /nfs/dbraw/zinc/50/79/94/606507994.db2.gz CHYLWTJTPCSPKZ-LLVKDONJSA-N -1 3 364.365 2.295 20 5 FEBDHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1OC ZINC000821790813 606644431 /nfs/dbraw/zinc/64/44/31/606644431.db2.gz VHDKDXWICJUPCD-UHFFFAOYSA-N -1 3 370.369 2.447 20 5 FEBDHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000821572068 606667604 /nfs/dbraw/zinc/66/76/04/606667604.db2.gz QEEDOLUKIRTZJY-UHFFFAOYSA-N -1 3 360.280 2.330 20 5 FEBDHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000821572068 606667605 /nfs/dbraw/zinc/66/76/05/606667605.db2.gz QEEDOLUKIRTZJY-UHFFFAOYSA-N -1 3 360.280 2.330 20 5 FEBDHM CCOc1cccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000821427653 606720964 /nfs/dbraw/zinc/72/09/64/606720964.db2.gz XVEOPUFKVOEUKV-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM CCOc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000821427653 606720965 /nfs/dbraw/zinc/72/09/65/606720965.db2.gz XVEOPUFKVOEUKV-UHFFFAOYSA-N -1 3 355.358 2.223 20 5 FEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823431310 606760153 /nfs/dbraw/zinc/76/01/53/606760153.db2.gz PXMZOCLAVYUVED-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823431310 606760154 /nfs/dbraw/zinc/76/01/54/606760154.db2.gz PXMZOCLAVYUVED-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CCc1nnc(NCCc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1CC ZINC000821542262 606924401 /nfs/dbraw/zinc/92/44/01/606924401.db2.gz MTZRELZCNXVQNJ-UHFFFAOYSA-N -1 3 368.401 2.344 20 5 FEBDHM CCc1nnc(NCCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1CC ZINC000821542262 606924403 /nfs/dbraw/zinc/92/44/03/606924403.db2.gz MTZRELZCNXVQNJ-UHFFFAOYSA-N -1 3 368.401 2.344 20 5 FEBDHM Cc1ccccc1CC1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822355967 606944969 /nfs/dbraw/zinc/94/49/69/606944969.db2.gz DSOYUHXFSKVOMV-UHFFFAOYSA-N -1 3 351.370 2.157 20 5 FEBDHM Cc1ccccc1CC1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822355967 606944970 /nfs/dbraw/zinc/94/49/70/606944970.db2.gz DSOYUHXFSKVOMV-UHFFFAOYSA-N -1 3 351.370 2.157 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](c2ccsc2)C1 ZINC000823629819 606949699 /nfs/dbraw/zinc/94/96/99/606949699.db2.gz IOZPKRSQAKULEA-AWEZNQCLSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccsc2)C1 ZINC000823629819 606949701 /nfs/dbraw/zinc/94/97/01/606949701.db2.gz IOZPKRSQAKULEA-AWEZNQCLSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823630490 606951256 /nfs/dbraw/zinc/95/12/56/606951256.db2.gz YENBRVOHQFONOX-IUODEOHRSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823630490 606951258 /nfs/dbraw/zinc/95/12/58/606951258.db2.gz YENBRVOHQFONOX-IUODEOHRSA-N -1 3 370.369 2.460 20 5 FEBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820234352 607041167 /nfs/dbraw/zinc/04/11/67/607041167.db2.gz OCTGPZLWFHAQJL-LKFCYVNXSA-N -1 3 373.348 2.233 20 5 FEBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820234352 607041168 /nfs/dbraw/zinc/04/11/68/607041168.db2.gz OCTGPZLWFHAQJL-LKFCYVNXSA-N -1 3 373.348 2.233 20 5 FEBDHM COCCN(Cc1ccc(C)o1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821690249 607118045 /nfs/dbraw/zinc/11/80/45/607118045.db2.gz BOSOXGMVTLLVIS-UHFFFAOYSA-N -1 3 358.358 2.329 20 5 FEBDHM COCCN(Cc1ccc(C)o1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821690249 607118046 /nfs/dbraw/zinc/11/80/46/607118046.db2.gz BOSOXGMVTLLVIS-UHFFFAOYSA-N -1 3 358.358 2.329 20 5 FEBDHM O=[N+]([O-])c1ccc(N(CCCO)Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640049 607129425 /nfs/dbraw/zinc/12/94/25/607129425.db2.gz QJRWXDIMDLXDCC-UHFFFAOYSA-N -1 3 354.370 2.164 20 5 FEBDHM O=[N+]([O-])c1ccc(N(CCCO)Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640049 607129426 /nfs/dbraw/zinc/12/94/26/607129426.db2.gz QJRWXDIMDLXDCC-UHFFFAOYSA-N -1 3 354.370 2.164 20 5 FEBDHM Cc1cccc(OCC(=O)Nc2sccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300048 607863145 /nfs/dbraw/zinc/86/31/45/607863145.db2.gz FXMBJOOOOIUOHV-UHFFFAOYSA-N -1 3 360.355 2.162 20 5 FEBDHM Cc1cccc(OCC(=O)Nc2sccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300048 607863146 /nfs/dbraw/zinc/86/31/46/607863146.db2.gz FXMBJOOOOIUOHV-UHFFFAOYSA-N -1 3 360.355 2.162 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(c1ncc(-c3nnn[n-]3)cc1Cl)C2 ZINC000826500093 607937802 /nfs/dbraw/zinc/93/78/02/607937802.db2.gz KVLPUQMQTUZARK-UHFFFAOYSA-N -1 3 357.761 2.386 20 5 FEBDHM O=[N+]([O-])c1cccc2c1CCN(c1ncc(-c3nn[n-]n3)cc1Cl)C2 ZINC000826500093 607937803 /nfs/dbraw/zinc/93/78/03/607937803.db2.gz KVLPUQMQTUZARK-UHFFFAOYSA-N -1 3 357.761 2.386 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826498825 608052871 /nfs/dbraw/zinc/05/28/71/608052871.db2.gz LFSLSHQGPYKOSC-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826498825 608052872 /nfs/dbraw/zinc/05/28/72/608052872.db2.gz LFSLSHQGPYKOSC-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423929 608435764 /nfs/dbraw/zinc/43/57/64/608435764.db2.gz NRBQBYSDKZXBGW-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423929 608435766 /nfs/dbraw/zinc/43/57/66/608435766.db2.gz NRBQBYSDKZXBGW-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM CC(C)(C)Oc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000824124647 608439747 /nfs/dbraw/zinc/43/97/47/608439747.db2.gz XVPZAFDWAMIPEF-UHFFFAOYSA-N -1 3 370.373 2.354 20 5 FEBDHM CC(C)(C)Oc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000824124647 608439749 /nfs/dbraw/zinc/43/97/49/608439749.db2.gz XVPZAFDWAMIPEF-UHFFFAOYSA-N -1 3 370.373 2.354 20 5 FEBDHM Cc1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)n1 ZINC000826329462 609237482 /nfs/dbraw/zinc/23/74/82/609237482.db2.gz DYACCLKWWIFFCD-UHFFFAOYSA-N -1 3 374.748 2.087 20 5 FEBDHM Cc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)n1 ZINC000826329462 609237483 /nfs/dbraw/zinc/23/74/83/609237483.db2.gz DYACCLKWWIFFCD-UHFFFAOYSA-N -1 3 374.748 2.087 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000562890529 674819979 /nfs/dbraw/zinc/81/99/79/674819979.db2.gz XDYSNWGQHCPDIT-NSHDSACASA-N -1 3 370.333 2.155 20 5 FEBDHM CCCCN(C)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011998 674895767 /nfs/dbraw/zinc/89/57/67/674895767.db2.gz DEQQHGWWCJQXRD-UHFFFAOYSA-N -1 3 367.830 2.398 20 5 FEBDHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047314 674907410 /nfs/dbraw/zinc/90/74/10/674907410.db2.gz NISBNSMWMMSAKZ-VIFPVBQESA-N -1 3 367.830 2.394 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccc(F)cc1 ZINC000119314582 671896209 /nfs/dbraw/zinc/89/62/09/671896209.db2.gz MIRQWIPHDDPJGJ-VFZGTOFNSA-N -1 3 372.349 2.273 20 5 FEBDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000611021735 676011736 /nfs/dbraw/zinc/01/17/36/676011736.db2.gz DAHKBUUBFYQREF-XHDPSFHLSA-N -1 3 368.386 2.177 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000590588898 672592862 /nfs/dbraw/zinc/59/28/62/672592862.db2.gz BOBYWKCFIUDLMC-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC000591327369 672670266 /nfs/dbraw/zinc/67/02/66/672670266.db2.gz JFCPQGOIKANEMT-JTQLQIEISA-N -1 3 368.333 2.053 20 5 FEBDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000593568016 672945990 /nfs/dbraw/zinc/94/59/90/672945990.db2.gz SKHCPLXSEGCXNT-GWCFXTLKSA-N -1 3 373.431 2.025 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c(F)c1 ZINC000593630348 672963971 /nfs/dbraw/zinc/96/39/71/672963971.db2.gz VMGPQISCSHCROZ-HNNXBMFYSA-N -1 3 358.391 2.217 20 5 FEBDHM O=c1[n-]ccc(NC[C@H](c2cccs2)N2CCOCC2)c1[N+](=O)[O-] ZINC000596057015 673354294 /nfs/dbraw/zinc/35/42/94/673354294.db2.gz FXLRBIOGVWOSQB-GFCCVEGCSA-N -1 3 350.400 2.242 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000734847989 673474321 /nfs/dbraw/zinc/47/43/21/673474321.db2.gz GGNYPJUHZQTLJS-NSHDSACASA-N -1 3 354.413 2.111 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCc2nc(C)ncc21 ZINC000734848328 673474668 /nfs/dbraw/zinc/47/46/68/673474668.db2.gz NGWYAFDWLDHZND-CQSZACIVSA-N -1 3 362.411 2.358 20 5 FEBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742288454 673719065 /nfs/dbraw/zinc/71/90/65/673719065.db2.gz VONVIVMXBLQHTO-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356976 673847588 /nfs/dbraw/zinc/84/75/88/673847588.db2.gz KBOCEUZYJRIFQM-MVWJERBFSA-N -1 3 360.457 2.447 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000548979831 674009280 /nfs/dbraw/zinc/00/92/80/674009280.db2.gz QRYOMUQKRGHYCN-UHFFFAOYSA-N -1 3 356.322 2.470 20 5 FEBDHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000764597951 680816393 /nfs/dbraw/zinc/81/63/93/680816393.db2.gz PHTDVKPRWMEJAY-GWCFXTLKSA-N -1 3 358.416 2.163 20 5 FEBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000832494757 680140214 /nfs/dbraw/zinc/14/02/14/680140214.db2.gz WBHCKWIHXLLICH-UHFFFAOYSA-N -1 3 357.363 2.461 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000751450685 680177395 /nfs/dbraw/zinc/17/73/95/680177395.db2.gz XOGPQOGLAYVGFQ-NSHDSACASA-N -1 3 360.775 2.162 20 5 FEBDHM CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000848505925 681564345 /nfs/dbraw/zinc/56/43/45/681564345.db2.gz RCQWNRXIHSKJRZ-UHFFFAOYSA-N -1 3 358.416 2.136 20 5 FEBDHM O=C(OCc1cc(=O)c([O-])co1)c1cccc([N+](=O)[O-])c1Br ZINC000781677421 681960593 /nfs/dbraw/zinc/96/05/93/681960593.db2.gz FJMOZZZNZJAVMF-UHFFFAOYSA-N -1 3 370.111 2.373 20 5 FEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820702 682147667 /nfs/dbraw/zinc/14/76/67/682147667.db2.gz FTTUKRDXXPBGDF-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000916108723 685521452 /nfs/dbraw/zinc/52/14/52/685521452.db2.gz NFZFLGONCMKWHI-UHFFFAOYSA-N -1 3 371.302 2.452 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000867734473 684365747 /nfs/dbraw/zinc/36/57/47/684365747.db2.gz UHAZCSUWIIVELL-DGCLKSJQSA-N -1 3 360.457 2.448 20 5 FEBDHM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000872653434 684996227 /nfs/dbraw/zinc/99/62/27/684996227.db2.gz HSHOJCXFPSYHDO-IWXRYERYSA-N -1 3 360.819 2.484 20 5 FEBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000549864698 674068086 /nfs/dbraw/zinc/06/80/86/674068086.db2.gz GSBPGWBSMXDPEG-CYBMUJFWSA-N -1 3 371.440 2.089 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032441180 539938922 /nfs/dbraw/zinc/93/89/22/539938922.db2.gz AXNHIQRLIYIYAY-QWHCGFSZSA-N -1 3 371.459 2.145 20 5 FEBDHM O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1[O-] ZINC000535842634 540520119 /nfs/dbraw/zinc/52/01/19/540520119.db2.gz FQEVEVYEJIBZQT-UHFFFAOYSA-N -1 3 353.338 2.086 20 5 FEBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053868493 540558465 /nfs/dbraw/zinc/55/84/65/540558465.db2.gz ITFKVNTWODKVRL-MRXNPFEDSA-N -1 3 369.377 2.221 20 5 FEBDHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000055234807 540639483 /nfs/dbraw/zinc/63/94/83/540639483.db2.gz PSRCJHJYKVSJLZ-UHFFFAOYSA-N -1 3 354.359 2.400 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000056073656 540700197 /nfs/dbraw/zinc/70/01/97/540700197.db2.gz VEMAJHQSBPPAAD-UHFFFAOYSA-N -1 3 360.335 2.135 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1c(F)cccc1F ZINC000056105490 540703156 /nfs/dbraw/zinc/70/31/56/540703156.db2.gz WGESBZRTTLPUMC-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064245172 541197090 /nfs/dbraw/zinc/19/70/90/541197090.db2.gz STCLJJCEAMJQOX-UHFFFAOYSA-N -1 3 358.397 2.152 20 5 FEBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333887 541303162 /nfs/dbraw/zinc/30/31/62/541303162.db2.gz VFVYBVOJAAADOA-LLVKDONJSA-N -1 3 361.489 2.445 20 5 FEBDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000067432126 541463808 /nfs/dbraw/zinc/46/38/08/541463808.db2.gz FDYXWTAKCVUWAQ-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)N2CCCCC2)c1 ZINC000078237052 542449105 /nfs/dbraw/zinc/44/91/05/542449105.db2.gz AHRURKVLIDPGPS-UHFFFAOYSA-N -1 3 351.331 2.339 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)Cc1ccccc1 ZINC000111348312 543398194 /nfs/dbraw/zinc/39/81/94/543398194.db2.gz UXXBMKDALNRIQU-LBPRGKRZSA-N -1 3 369.468 2.455 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000124492325 543825323 /nfs/dbraw/zinc/82/53/23/543825323.db2.gz CABAOTSMRQSKAY-ZDUSSCGKSA-N -1 3 350.462 2.430 20 5 FEBDHM CN(C)CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130417480 544149976 /nfs/dbraw/zinc/14/99/76/544149976.db2.gz HLEKTFFTYFWZKP-UHFFFAOYSA-N -1 3 359.382 2.171 20 5 FEBDHM Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)NC1CC1 ZINC000132920686 544248362 /nfs/dbraw/zinc/24/83/62/544248362.db2.gz QYGRQIWHKUDKPV-UHFFFAOYSA-N -1 3 365.367 2.189 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000152365717 544643301 /nfs/dbraw/zinc/64/33/01/544643301.db2.gz AHOQQLHZZORYOT-LLVKDONJSA-N -1 3 368.333 2.317 20 5 FEBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186763485 327980997 /nfs/dbraw/zinc/98/09/97/327980997.db2.gz FQUDZSPWUUBWPG-INIZCTEOSA-N -1 3 356.382 2.262 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000188343446 328081965 /nfs/dbraw/zinc/08/19/65/328081965.db2.gz RLKICSPBJUDPSM-PSASIEDQSA-N -1 3 368.333 2.053 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@H]1CCCc2occc21 ZINC000192999715 328351320 /nfs/dbraw/zinc/35/13/20/328351320.db2.gz MTDWALZFUUOQFN-ZDUSSCGKSA-N -1 3 365.411 2.133 20 5 FEBDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000102413365 325492536 /nfs/dbraw/zinc/49/25/36/325492536.db2.gz OFCATHBMNINHGP-UHFFFAOYSA-N -1 3 371.440 2.143 20 5 FEBDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119448760 326163989 /nfs/dbraw/zinc/16/39/89/326163989.db2.gz NQPRHDHLFDBEFR-KWQFWETISA-N -1 3 370.349 2.299 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000121401369 326336136 /nfs/dbraw/zinc/33/61/36/326336136.db2.gz BGUAMYRPSZYGQF-AWEZNQCLSA-N -1 3 350.396 2.387 20 5 FEBDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000122699961 326406146 /nfs/dbraw/zinc/40/61/46/326406146.db2.gz GMWNUIKCDNQKMI-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000123780248 326442267 /nfs/dbraw/zinc/44/22/67/326442267.db2.gz YYIKLTDOPUXREL-JTQLQIEISA-N -1 3 350.824 2.325 20 5 FEBDHM Cc1cc([N+](=O)[O-])cn(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c1=O ZINC000127265811 326503114 /nfs/dbraw/zinc/50/31/14/326503114.db2.gz WYRGYENDJNZUGS-UHFFFAOYSA-N -1 3 352.306 2.096 20 5 FEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000152826158 326717349 /nfs/dbraw/zinc/71/73/49/326717349.db2.gz SIMWEPFCCDELKE-UHFFFAOYSA-N -1 3 365.198 2.077 20 5 FEBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000156586428 326836842 /nfs/dbraw/zinc/83/68/42/326836842.db2.gz XAAKAYFQMMFAEE-HNNXBMFYSA-N -1 3 364.423 2.478 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000163437044 327051663 /nfs/dbraw/zinc/05/16/63/327051663.db2.gz CHPFYFZCWOHPOG-LBPRGKRZSA-N -1 3 368.333 2.461 20 5 FEBDHM O=c1nc(Cn2cccc([N+](=O)[O-])c2=O)[n-]c2scc(-c3ccco3)c21 ZINC000171415689 327138076 /nfs/dbraw/zinc/13/80/76/327138076.db2.gz ZBFBNWOPLIISNW-UHFFFAOYSA-N -1 3 370.346 2.363 20 5 FEBDHM C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000175272201 327383680 /nfs/dbraw/zinc/38/36/80/327383680.db2.gz JJJUPJPBRLOUFI-ZFWWWQNUSA-N -1 3 370.409 2.478 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1NCCc2ccccc21 ZINC000262196380 328850290 /nfs/dbraw/zinc/85/02/90/328850290.db2.gz KCBMENLTZUONQE-OAHLLOKOSA-N -1 3 361.423 2.069 20 5 FEBDHM COc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1[O-] ZINC000268064079 329381717 /nfs/dbraw/zinc/38/17/17/329381717.db2.gz GHYHCRJHHPNYEG-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM C[C@@H]1CN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)CCO1 ZINC000275015329 330002162 /nfs/dbraw/zinc/00/21/62/330002162.db2.gz YDDIWSFMEFXZSC-LLVKDONJSA-N -1 3 358.354 2.173 20 5 FEBDHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000161232005 546111457 /nfs/dbraw/zinc/11/14/57/546111457.db2.gz WJSWNODIOLPWKJ-UHFFFAOYSA-N -1 3 369.374 2.395 20 5 FEBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000163642065 546147230 /nfs/dbraw/zinc/14/72/30/546147230.db2.gz ZTZFSAZIGBTHML-UHFFFAOYSA-N -1 3 374.372 2.471 20 5 FEBDHM CCc1nc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000479160597 561183152 /nfs/dbraw/zinc/18/31/52/561183152.db2.gz IKPVXAYJQSASAJ-UHFFFAOYSA-N -1 3 357.273 2.138 20 5 FEBDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000479206247 561184611 /nfs/dbraw/zinc/18/46/11/561184611.db2.gz PBMHUDOJEZENSV-SECBINFHSA-N -1 3 362.379 2.133 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000175626036 546323813 /nfs/dbraw/zinc/32/38/13/546323813.db2.gz MBBCXZIEAVXBLF-VIFPVBQESA-N -1 3 357.413 2.408 20 5 FEBDHM O=C(NC1CC1)c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1 ZINC000480282820 561206480 /nfs/dbraw/zinc/20/64/80/561206480.db2.gz YEJWFCVRRYVTDY-UHFFFAOYSA-N -1 3 370.291 2.236 20 5 FEBDHM O=C(NC1CC1)c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000480282820 561206481 /nfs/dbraw/zinc/20/64/81/561206481.db2.gz YEJWFCVRRYVTDY-UHFFFAOYSA-N -1 3 370.291 2.236 20 5 FEBDHM O=C(NC1CC1)c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000480282820 561206482 /nfs/dbraw/zinc/20/64/82/561206482.db2.gz YEJWFCVRRYVTDY-UHFFFAOYSA-N -1 3 370.291 2.236 20 5 FEBDHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000480406070 561208591 /nfs/dbraw/zinc/20/85/91/561208591.db2.gz BCWBHVRZRZPWTA-UHFFFAOYSA-N -1 3 355.803 2.473 20 5 FEBDHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000176885241 546500693 /nfs/dbraw/zinc/50/06/93/546500693.db2.gz NOBJDUJXXDVNJE-UHFFFAOYSA-N -1 3 358.398 2.279 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000480762959 561216295 /nfs/dbraw/zinc/21/62/95/561216295.db2.gz FHDNFHCSQVYZIP-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCCCCC2)c1C ZINC000480923088 561220258 /nfs/dbraw/zinc/22/02/58/561220258.db2.gz AFEHJHGAALSRIE-UHFFFAOYSA-N -1 3 355.460 2.366 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)nc2)c1[N+](=O)[O-] ZINC000481073084 561224562 /nfs/dbraw/zinc/22/45/62/561224562.db2.gz OQUBEDGEPGMYDM-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2O)cc1C ZINC000178620171 546821889 /nfs/dbraw/zinc/82/18/89/546821889.db2.gz YPWUBGSTRYSQRJ-UHFFFAOYSA-N -1 3 350.396 2.438 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483541082 561279252 /nfs/dbraw/zinc/27/92/52/561279252.db2.gz HMBHKWHREAZREL-UHFFFAOYSA-N -1 3 358.280 2.073 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483541082 561279253 /nfs/dbraw/zinc/27/92/53/561279253.db2.gz HMBHKWHREAZREL-UHFFFAOYSA-N -1 3 358.280 2.073 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483541082 561279254 /nfs/dbraw/zinc/27/92/54/561279254.db2.gz HMBHKWHREAZREL-UHFFFAOYSA-N -1 3 358.280 2.073 20 5 FEBDHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484281046 561295495 /nfs/dbraw/zinc/29/54/95/561295495.db2.gz ZECAXENWYZFAON-UHFFFAOYSA-N -1 3 374.334 2.329 20 5 FEBDHM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000185446272 547985990 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ZINC000447026424 560155383 /nfs/dbraw/zinc/15/53/83/560155383.db2.gz IVDOZZLCGHXVDQ-UHFFFAOYSA-N -1 3 360.189 2.164 20 5 FEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000451665409 560320762 /nfs/dbraw/zinc/32/07/62/560320762.db2.gz QMCCSOWUZCZFCY-OAHLLOKOSA-N -1 3 364.423 2.439 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000451674713 560321371 /nfs/dbraw/zinc/32/13/71/560321371.db2.gz ZSBXINICWOUYDZ-UHFFFAOYSA-N -1 3 353.375 2.385 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000451900177 560335787 /nfs/dbraw/zinc/33/57/87/560335787.db2.gz LMIDOPZHLMSKQS-HIFRSBDPSA-N -1 3 363.395 2.188 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000451924747 560337862 /nfs/dbraw/zinc/33/78/62/560337862.db2.gz DWKZTSBZUSEDIT-ZETCQYMHSA-N -1 3 356.231 2.130 20 5 FEBDHM Cc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc([N+](=O)[O-])c1 ZINC000461624953 560777616 /nfs/dbraw/zinc/77/76/16/560777616.db2.gz 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COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1NC(N)=O ZINC000475716994 561103229 /nfs/dbraw/zinc/10/32/29/561103229.db2.gz JIJIJMTUKRDUMH-UHFFFAOYSA-N -1 3 370.325 2.223 20 5 FEBDHM C[C@H](CC(C)(C)C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000477036690 561134765 /nfs/dbraw/zinc/13/47/65/561134765.db2.gz UMAKLODPRLEVLW-GFCCVEGCSA-N -1 3 371.459 2.062 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000533913016 562521175 /nfs/dbraw/zinc/52/11/75/562521175.db2.gz HKPGNZAEYFMIJS-MRXNPFEDSA-N -1 3 363.395 2.428 20 5 FEBDHM NC(=O)c1ccc(SCC(=O)Nc2cccc([O-])c2F)c([N+](=O)[O-])c1 ZINC000536462905 562576151 /nfs/dbraw/zinc/57/61/51/562576151.db2.gz KBNIOGFHSBUBOX-UHFFFAOYSA-N -1 3 365.342 2.269 20 5 FEBDHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568074044 567838229 /nfs/dbraw/zinc/83/82/29/567838229.db2.gz UXTXUSULGQAKAW-SJORKVTESA-N -1 3 364.398 2.175 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC2(c3cccc(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738374282 598855759 /nfs/dbraw/zinc/85/57/59/598855759.db2.gz MHEILPLZYMOIKA-UHFFFAOYSA-N -1 3 355.333 2.453 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC2(c3cccc(F)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000738374282 598855760 /nfs/dbraw/zinc/85/57/60/598855760.db2.gz MHEILPLZYMOIKA-UHFFFAOYSA-N -1 3 355.333 2.453 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCCOCC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738370911 598973722 /nfs/dbraw/zinc/97/37/22/598973722.db2.gz SHEXYCPCKBSQBX-UHFFFAOYSA-N -1 3 362.390 2.020 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCCOCC2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738370911 598973724 /nfs/dbraw/zinc/97/37/24/598973724.db2.gz SHEXYCPCKBSQBX-UHFFFAOYSA-N -1 3 362.390 2.020 20 5 FEBDHM CN(CCOC(=O)c1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000736802358 599026898 /nfs/dbraw/zinc/02/68/98/599026898.db2.gz QUMWLTBYTFHDLH-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280360 599066862 /nfs/dbraw/zinc/06/68/62/599066862.db2.gz DTJSUXVBMBNTDD-VIFPVBQESA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280360 599066865 /nfs/dbraw/zinc/06/68/65/599066865.db2.gz DTJSUXVBMBNTDD-VIFPVBQESA-N -1 3 359.321 2.188 20 5 FEBDHM CN(Cc1cccnc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828068 599255385 /nfs/dbraw/zinc/25/53/85/599255385.db2.gz GRJBVEIWOVISJN-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CN(Cc1cccnc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828068 599255386 /nfs/dbraw/zinc/25/53/86/599255386.db2.gz GRJBVEIWOVISJN-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000738371671 599267833 /nfs/dbraw/zinc/26/78/33/599267833.db2.gz WIGFYXOZCGBSSM-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738358067 598244589 /nfs/dbraw/zinc/24/45/89/598244589.db2.gz KODVWUGNGCYWKB-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738358067 598244591 /nfs/dbraw/zinc/24/45/91/598244591.db2.gz KODVWUGNGCYWKB-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM Cc1ccccc1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737424714 598245507 /nfs/dbraw/zinc/24/55/07/598245507.db2.gz VSQBSYNPEKZUDU-GFCCVEGCSA-N -1 3 351.370 2.472 20 5 FEBDHM Cc1ccccc1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737424714 598245509 /nfs/dbraw/zinc/24/55/09/598245509.db2.gz VSQBSYNPEKZUDU-GFCCVEGCSA-N -1 3 351.370 2.472 20 5 FEBDHM O=C(CC1CCCCC1)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737821841 598245702 /nfs/dbraw/zinc/24/57/02/598245702.db2.gz NDEOSPWHFBZNRF-UHFFFAOYSA-N -1 3 373.417 2.273 20 5 FEBDHM O=C(CC1CCCCC1)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737821841 598245703 /nfs/dbraw/zinc/24/57/03/598245703.db2.gz NDEOSPWHFBZNRF-UHFFFAOYSA-N -1 3 373.417 2.273 20 5 FEBDHM Cc1nc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccccc12 ZINC000737476924 598353682 /nfs/dbraw/zinc/35/36/82/598353682.db2.gz IKRFRMFEMMRCRN-UHFFFAOYSA-N -1 3 363.341 2.034 20 5 FEBDHM Cc1nc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccccc12 ZINC000737476924 598353684 /nfs/dbraw/zinc/35/36/84/598353684.db2.gz IKRFRMFEMMRCRN-UHFFFAOYSA-N -1 3 363.341 2.034 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3cc(-c4nnn[n-]4)ccc3F)n2)cc1 ZINC000738361752 598379481 /nfs/dbraw/zinc/37/94/81/598379481.db2.gz ZRGZJRDOQBCQQA-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3cc(-c4nn[n-]n4)ccc3F)n2)cc1 ZINC000738361752 598379484 /nfs/dbraw/zinc/37/94/84/598379484.db2.gz ZRGZJRDOQBCQQA-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM COC(=O)c1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000736949507 598387610 /nfs/dbraw/zinc/38/76/10/598387610.db2.gz VKQDQKLMANTBBV-UHFFFAOYSA-N -1 3 366.337 2.082 20 5 FEBDHM COC(=O)c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000736949507 598387611 /nfs/dbraw/zinc/38/76/11/598387611.db2.gz VKQDQKLMANTBBV-UHFFFAOYSA-N -1 3 366.337 2.082 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@]1(O)CCCc2ccccc21 ZINC000738358740 598557867 /nfs/dbraw/zinc/55/78/67/598557867.db2.gz ONDTWTDJNXUKCC-GOSISDBHSA-N -1 3 366.381 2.411 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@]1(O)CCCc2ccccc21 ZINC000738358740 598557868 /nfs/dbraw/zinc/55/78/68/598557868.db2.gz ONDTWTDJNXUKCC-GOSISDBHSA-N -1 3 366.381 2.411 20 5 FEBDHM C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114980 598568193 /nfs/dbraw/zinc/56/81/93/598568193.db2.gz FPMPUNZRFHNEGJ-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114980 598568195 /nfs/dbraw/zinc/56/81/95/598568195.db2.gz FPMPUNZRFHNEGJ-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](c1ccccc1)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736200904 598628371 /nfs/dbraw/zinc/62/83/71/598628371.db2.gz FNTNVDWKZPJSAV-MEDUHNTESA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@@H](c1ccccc1)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736200904 598628372 /nfs/dbraw/zinc/62/83/72/598628372.db2.gz FNTNVDWKZPJSAV-MEDUHNTESA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736299818 598735774 /nfs/dbraw/zinc/73/57/74/598735774.db2.gz VAKZRPAELXDZMX-LLVKDONJSA-N -1 3 364.365 2.295 20 5 FEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736299818 598735776 /nfs/dbraw/zinc/73/57/76/598735776.db2.gz VAKZRPAELXDZMX-LLVKDONJSA-N -1 3 364.365 2.295 20 5 FEBDHM O=[N+]([O-])c1ncccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738373888 598798187 /nfs/dbraw/zinc/79/81/87/598798187.db2.gz JLOKGETXEGVQEU-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1ncccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738373888 598798188 /nfs/dbraw/zinc/79/81/88/598798188.db2.gz JLOKGETXEGVQEU-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820373166 599411264 /nfs/dbraw/zinc/41/12/64/599411264.db2.gz FSRHLZBRBDEIBH-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820373166 599411268 /nfs/dbraw/zinc/41/12/68/599411268.db2.gz FSRHLZBRBDEIBH-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808573194 674463579 /nfs/dbraw/zinc/46/35/79/674463579.db2.gz XBNFBXGJCFPGAA-UHFFFAOYSA-N -1 3 359.148 2.169 20 5 FEBDHM COc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821703076 599536801 /nfs/dbraw/zinc/53/68/01/599536801.db2.gz NOMYAQWBCNESBO-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM COc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821703076 599536804 /nfs/dbraw/zinc/53/68/04/599536804.db2.gz NOMYAQWBCNESBO-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645969 599574787 /nfs/dbraw/zinc/57/47/87/599574787.db2.gz YJCOSJGZPZRSJE-ZYHUDNBSSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645969 599574789 /nfs/dbraw/zinc/57/47/89/599574789.db2.gz YJCOSJGZPZRSJE-ZYHUDNBSSA-N -1 3 369.385 2.286 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000557860820 674472106 /nfs/dbraw/zinc/47/21/06/674472106.db2.gz IWQGDOPFABHDEN-UHFFFAOYSA-N -1 3 372.296 2.362 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000821745243 607415454 /nfs/dbraw/zinc/41/54/54/607415454.db2.gz LOAFSWFYPWWXNK-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000821745243 607415455 /nfs/dbraw/zinc/41/54/55/607415455.db2.gz LOAFSWFYPWWXNK-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423599 607420188 /nfs/dbraw/zinc/42/01/88/607420188.db2.gz XJTASAFGVYNNMJ-UHFFFAOYSA-N -1 3 364.365 2.123 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423599 607420191 /nfs/dbraw/zinc/42/01/91/607420191.db2.gz XJTASAFGVYNNMJ-UHFFFAOYSA-N -1 3 364.365 2.123 20 5 FEBDHM COc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826201351 607584887 /nfs/dbraw/zinc/58/48/87/607584887.db2.gz LXWSRVJYGSBIDW-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826201351 607584888 /nfs/dbraw/zinc/58/48/88/607584888.db2.gz LXWSRVJYGSBIDW-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826206541 607595945 /nfs/dbraw/zinc/59/59/45/607595945.db2.gz YXVRILGORQMQOP-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000826206541 607595949 /nfs/dbraw/zinc/59/59/49/607595949.db2.gz YXVRILGORQMQOP-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM Cc1c(CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236078 607659991 /nfs/dbraw/zinc/65/99/91/607659991.db2.gz XWUWSNIQOYUPOS-UHFFFAOYSA-N -1 3 366.381 2.284 20 5 FEBDHM Cc1c(CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236078 607659993 /nfs/dbraw/zinc/65/99/93/607659993.db2.gz XWUWSNIQOYUPOS-UHFFFAOYSA-N -1 3 366.381 2.284 20 5 FEBDHM O=C([O-])/C=C/c1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000833196186 604627703 /nfs/dbraw/zinc/62/77/03/604627703.db2.gz NWMZOJXOYRLLSG-OMDKTOEGSA-N -1 3 361.398 2.358 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000820457165 606136419 /nfs/dbraw/zinc/13/64/19/606136419.db2.gz YHBLATCZZMIHRF-SNVBAGLBSA-N -1 3 369.389 2.266 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000820457165 606136421 /nfs/dbraw/zinc/13/64/21/606136421.db2.gz YHBLATCZZMIHRF-SNVBAGLBSA-N -1 3 369.389 2.266 20 5 FEBDHM C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820495995 606340627 /nfs/dbraw/zinc/34/06/27/606340627.db2.gz KVWRYWLXYSADTC-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820495995 606340629 /nfs/dbraw/zinc/34/06/29/606340629.db2.gz KVWRYWLXYSADTC-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1sccc1-c1nnn[n-]1 ZINC000823440339 606374384 /nfs/dbraw/zinc/37/43/84/606374384.db2.gz OAXDOHNYETWZKF-UHFFFAOYSA-N -1 3 372.322 2.335 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000820455311 606425147 /nfs/dbraw/zinc/42/51/47/606425147.db2.gz GQIBBUGHUMJICE-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000820455311 606425149 /nfs/dbraw/zinc/42/51/49/606425149.db2.gz GQIBBUGHUMJICE-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822983899 606667281 /nfs/dbraw/zinc/66/72/81/606667281.db2.gz WUKOOXCNEOQHGC-UHFFFAOYSA-N -1 3 352.354 2.024 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822983899 606667282 /nfs/dbraw/zinc/66/72/82/606667282.db2.gz WUKOOXCNEOQHGC-UHFFFAOYSA-N -1 3 352.354 2.024 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823242263 606812920 /nfs/dbraw/zinc/81/29/20/606812920.db2.gz SLQNXCBEBHWOIM-UHFFFAOYSA-N -1 3 364.774 2.420 20 5 FEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823242263 606812921 /nfs/dbraw/zinc/81/29/21/606812921.db2.gz SLQNXCBEBHWOIM-UHFFFAOYSA-N -1 3 364.774 2.420 20 5 FEBDHM C[C@@H]1N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCOC1(C)C ZINC000820820695 606876938 /nfs/dbraw/zinc/87/69/38/606876938.db2.gz PKMRKFJOZFVQMH-JTQLQIEISA-N -1 3 369.385 2.327 20 5 FEBDHM C[C@@H]1N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCOC1(C)C ZINC000820820695 606876940 /nfs/dbraw/zinc/87/69/40/606876940.db2.gz PKMRKFJOZFVQMH-JTQLQIEISA-N -1 3 369.385 2.327 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821845809 606996904 /nfs/dbraw/zinc/99/69/04/606996904.db2.gz JMAVQOWLFLNYQL-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821845809 606996905 /nfs/dbraw/zinc/99/69/05/606996905.db2.gz JMAVQOWLFLNYQL-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821670055 607039861 /nfs/dbraw/zinc/03/98/61/607039861.db2.gz KWBLBVQYOUGDTM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821670055 607039863 /nfs/dbraw/zinc/03/98/63/607039863.db2.gz KWBLBVQYOUGDTM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823647096 607165668 /nfs/dbraw/zinc/16/56/68/607165668.db2.gz FPBDFVJCARFQRL-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823647096 607165671 /nfs/dbraw/zinc/16/56/71/607165671.db2.gz FPBDFVJCARFQRL-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cnn(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000823650810 607175946 /nfs/dbraw/zinc/17/59/46/607175946.db2.gz BCGGHFDRMWMAQE-UHFFFAOYSA-N -1 3 368.279 2.102 20 5 FEBDHM Cc1c(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826235287 607791160 /nfs/dbraw/zinc/79/11/60/607791160.db2.gz HDGYMHVJBABPRI-UHFFFAOYSA-N -1 3 352.354 2.289 20 5 FEBDHM Cc1c(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826235287 607791161 /nfs/dbraw/zinc/79/11/61/607791161.db2.gz HDGYMHVJBABPRI-UHFFFAOYSA-N -1 3 352.354 2.289 20 5 FEBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826473771 607833840 /nfs/dbraw/zinc/83/38/40/607833840.db2.gz NPQXPPLHUPBGDD-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826473771 607833841 /nfs/dbraw/zinc/83/38/41/607833841.db2.gz NPQXPPLHUPBGDD-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498171 607937050 /nfs/dbraw/zinc/93/70/50/607937050.db2.gz JSYAKQIDXDWOHP-CZUORRHYSA-N -1 3 370.344 2.226 20 5 FEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498171 607937051 /nfs/dbraw/zinc/93/70/51/607937051.db2.gz JSYAKQIDXDWOHP-CZUORRHYSA-N -1 3 370.344 2.226 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826272310 607949459 /nfs/dbraw/zinc/94/94/59/607949459.db2.gz CZFRFEMMOYCGIQ-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826272310 607949460 /nfs/dbraw/zinc/94/94/60/607949460.db2.gz CZFRFEMMOYCGIQ-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826293099 607950998 /nfs/dbraw/zinc/95/09/98/607950998.db2.gz AYVWIPRPWYNEJE-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826293099 607950999 /nfs/dbraw/zinc/95/09/99/607950999.db2.gz AYVWIPRPWYNEJE-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826278115 608007383 /nfs/dbraw/zinc/00/73/83/608007383.db2.gz RIVNHGDQYUYYJT-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826278115 608007384 /nfs/dbraw/zinc/00/73/84/608007384.db2.gz RIVNHGDQYUYYJT-UHFFFAOYSA-N -1 3 367.369 2.448 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826497746 608052743 /nfs/dbraw/zinc/05/27/43/608052743.db2.gz SRXUJVSMTYOVFR-OAHLLOKOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1c(F)cccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826497746 608052744 /nfs/dbraw/zinc/05/27/44/608052744.db2.gz SRXUJVSMTYOVFR-OAHLLOKOSA-N -1 3 370.344 2.492 20 5 FEBDHM CC(C)(C)OC(=O)N1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824104455 608076827 /nfs/dbraw/zinc/07/68/27/608076827.db2.gz TXSVBMYOXJEANK-UHFFFAOYSA-N -1 3 361.362 2.137 20 5 FEBDHM CC(C)(C)OC(=O)N1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824104455 608076828 /nfs/dbraw/zinc/07/68/28/608076828.db2.gz TXSVBMYOXJEANK-UHFFFAOYSA-N -1 3 361.362 2.137 20 5 FEBDHM O=C(CCc1cccnc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409454 608161955 /nfs/dbraw/zinc/16/19/55/608161955.db2.gz ZOZIHVMVHDSHJL-UHFFFAOYSA-N -1 3 373.760 2.395 20 5 FEBDHM O=C(CCc1cccnc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409454 608161958 /nfs/dbraw/zinc/16/19/58/608161958.db2.gz ZOZIHVMVHDSHJL-UHFFFAOYSA-N -1 3 373.760 2.395 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473829 608485695 /nfs/dbraw/zinc/48/56/95/608485695.db2.gz PXUPDCAVAILGFK-UHFFFAOYSA-N -1 3 366.337 2.297 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473829 608485697 /nfs/dbraw/zinc/48/56/97/608485697.db2.gz PXUPDCAVAILGFK-UHFFFAOYSA-N -1 3 366.337 2.297 20 5 FEBDHM CN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1[N+](=O)[O-] ZINC000825985801 608533186 /nfs/dbraw/zinc/53/31/86/608533186.db2.gz ATCKUECNBIKAIC-UHFFFAOYSA-N -1 3 364.369 2.055 20 5 FEBDHM CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1[N+](=O)[O-] ZINC000825985801 608533188 /nfs/dbraw/zinc/53/31/88/608533188.db2.gz ATCKUECNBIKAIC-UHFFFAOYSA-N -1 3 364.369 2.055 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1SCCS1 ZINC000826450745 608841523 /nfs/dbraw/zinc/84/15/23/608841523.db2.gz BTVKFPRHKPEMCY-UHFFFAOYSA-N -1 3 372.819 2.173 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1SCCS1 ZINC000826450745 608841525 /nfs/dbraw/zinc/84/15/25/608841525.db2.gz BTVKFPRHKPEMCY-UHFFFAOYSA-N -1 3 372.819 2.173 20 5 FEBDHM NC(=O)c1ccnc(NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000577031973 671411649 /nfs/dbraw/zinc/41/16/49/671411649.db2.gz FKDCEMALFHJKOM-UHFFFAOYSA-N -1 3 367.159 2.169 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC000583492831 672099805 /nfs/dbraw/zinc/09/98/05/672099805.db2.gz OUSSOSCDZWNRKE-SECBINFHSA-N -1 3 364.445 2.363 20 5 FEBDHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610576880 675982493 /nfs/dbraw/zinc/98/24/93/675982493.db2.gz AOJNINISAGNYMQ-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1nonc1[N-]C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000162034292 672301012 /nfs/dbraw/zinc/30/10/12/672301012.db2.gz CHKUYJOAQBTQSM-UHFFFAOYSA-N -1 3 374.094 2.143 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c1 ZINC000611033244 676013408 /nfs/dbraw/zinc/01/34/08/676013408.db2.gz XVEGIDDJRVCXQW-HNNXBMFYSA-N -1 3 372.349 2.026 20 5 FEBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592084101 672750859 /nfs/dbraw/zinc/75/08/59/672750859.db2.gz UDJZQOJPAFIQDF-VHSXEESVSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000593572640 672947509 /nfs/dbraw/zinc/94/75/09/672947509.db2.gz OFXXUCOUDYYTRF-CZUORRHYSA-N -1 3 363.395 2.046 20 5 FEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000738376740 673619698 /nfs/dbraw/zinc/61/96/98/673619698.db2.gz BDFCIHWNNFWXSI-UHFFFAOYSA-N -1 3 357.775 2.001 20 5 FEBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc([N+](=O)[O-])cc1Br ZINC000740423027 673646400 /nfs/dbraw/zinc/64/64/00/673646400.db2.gz WEWUWZXZWNNIBJ-UHFFFAOYSA-N -1 3 370.111 2.373 20 5 FEBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742288456 673719126 /nfs/dbraw/zinc/71/91/26/673719126.db2.gz VONVIVMXBLQHTO-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c([N+](=O)[O-])s1 ZINC000601417692 673859137 /nfs/dbraw/zinc/85/91/37/673859137.db2.gz ZZQQONBRQCCZKV-JTQLQIEISA-N -1 3 354.409 2.419 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])s1 ZINC000601453280 673864685 /nfs/dbraw/zinc/86/46/85/673864685.db2.gz HVKVTMAIVMDYCQ-CYBMUJFWSA-N -1 3 360.457 2.448 20 5 FEBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841531503 680893014 /nfs/dbraw/zinc/89/30/14/680893014.db2.gz ZKAIJPQVMHLSFR-UHFFFAOYSA-N -1 3 353.803 2.006 20 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ZINC000506227037 561693735 /nfs/dbraw/zinc/69/37/35/561693735.db2.gz YQPLFFQTKCFJIT-GFCCVEGCSA-N -1 3 366.395 2.349 20 5 FEBDHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000507849293 561743191 /nfs/dbraw/zinc/74/31/91/561743191.db2.gz ROUREPHQJCCIEL-SNVBAGLBSA-N -1 3 358.354 2.476 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000508091981 561751381 /nfs/dbraw/zinc/75/13/81/561751381.db2.gz AFZVPAUDWBULNJ-GFCCVEGCSA-N -1 3 368.333 2.211 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC1(C)C ZINC000330942952 554191739 /nfs/dbraw/zinc/19/17/39/554191739.db2.gz DHAKPOIHUQWBGH-CYBMUJFWSA-N -1 3 356.400 2.238 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)cc1C ZINC000332142515 554388924 /nfs/dbraw/zinc/38/89/24/554388924.db2.gz MQOYBPFESVVKMJ-HNNXBMFYSA-N -1 3 356.444 2.287 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2ncn(-c3ccccc3)n2)cc([N+](=O)[O-])c1 ZINC000511065677 561855468 /nfs/dbraw/zinc/85/54/68/561855468.db2.gz OWKVNSFVODIMRJ-UHFFFAOYSA-N -1 3 367.321 2.214 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)CC1CCCC1 ZINC000511221942 561862019 /nfs/dbraw/zinc/86/20/19/561862019.db2.gz LWRIQFFJPNSYQI-LBPRGKRZSA-N -1 3 362.835 2.468 20 5 FEBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2n1CCCC2 ZINC000362487830 554974976 /nfs/dbraw/zinc/97/49/76/554974976.db2.gz OFSDEYFROIZGLF-UHFFFAOYSA-N -1 3 368.390 2.054 20 5 FEBDHM CC(=O)N1CCSc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000365196811 555508278 /nfs/dbraw/zinc/50/82/78/555508278.db2.gz MFAVLIMUQCQVOB-UHFFFAOYSA-N -1 3 374.378 2.406 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCN1CCCCC1 ZINC000516786118 562058046 /nfs/dbraw/zinc/05/80/46/562058046.db2.gz FTIJKQGZBLGOQC-UHFFFAOYSA-N -1 3 361.851 2.403 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000373347455 557677096 /nfs/dbraw/zinc/67/70/96/557677096.db2.gz LVVJVQXNTKLVRM-CVEARBPZSA-N -1 3 370.427 2.087 20 5 FEBDHM NC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000521067351 562169112 /nfs/dbraw/zinc/16/91/12/562169112.db2.gz IJSVCSZWTANQKP-UHFFFAOYSA-N -1 3 359.729 2.476 20 5 FEBDHM COc1ccc(C(=O)[N-]c2sccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000522867813 562205068 /nfs/dbraw/zinc/20/50/68/562205068.db2.gz UBHZIYAIFDRCEK-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM O=C([N-][C@@H]1COc2ccccc2[C@@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378140975 558489445 /nfs/dbraw/zinc/48/94/45/558489445.db2.gz UCMGQMVUJZXVRG-HIFRSBDPSA-N -1 3 364.304 2.297 20 5 FEBDHM C[C@]1(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000523575636 562215547 /nfs/dbraw/zinc/21/55/47/562215547.db2.gz WSOUWXAYXHDVCD-QGZVFWFLSA-N -1 3 358.329 2.401 20 5 FEBDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000378529379 558575966 /nfs/dbraw/zinc/57/59/66/558575966.db2.gz BGDDLWCBNYAANZ-NSHDSACASA-N -1 3 365.415 2.073 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC000392365428 558617303 /nfs/dbraw/zinc/61/73/03/558617303.db2.gz MWMSVEPRKKFHAG-WDEREUQCSA-N -1 3 356.400 2.096 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000408376161 558671919 /nfs/dbraw/zinc/67/19/19/558671919.db2.gz VWBGGVVNDMARAG-IUODEOHRSA-N -1 3 372.468 2.236 20 5 FEBDHM CCCn1c(=O)[n-]nc1SCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000525109787 562240584 /nfs/dbraw/zinc/24/05/84/562240584.db2.gz JDVRLKKALRTXRK-UHFFFAOYSA-N -1 3 354.388 2.482 20 5 FEBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000412693323 559050860 /nfs/dbraw/zinc/05/08/60/559050860.db2.gz FNYOPLILRADBMZ-CYBMUJFWSA-N -1 3 356.382 2.042 20 5 FEBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416384419 559309142 /nfs/dbraw/zinc/30/91/42/559309142.db2.gz NQKTVROTNUFFDQ-MRVPVSSYSA-N -1 3 356.322 2.317 20 5 FEBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416400846 559310200 /nfs/dbraw/zinc/31/02/00/559310200.db2.gz HTYHENGXQHGOJS-LLVKDONJSA-N -1 3 356.322 2.053 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000416408357 559310731 /nfs/dbraw/zinc/31/07/31/559310731.db2.gz PLPPQIVPCWMHNT-IUCAKERBSA-N -1 3 368.333 2.317 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC000416453703 559313966 /nfs/dbraw/zinc/31/39/66/559313966.db2.gz GIRJFMQLWCAMBR-UHFFFAOYSA-N -1 3 368.333 2.055 20 5 FEBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416485550 559316717 /nfs/dbraw/zinc/31/67/17/559316717.db2.gz BKVDNHTYHCUCON-SECBINFHSA-N -1 3 370.349 2.301 20 5 FEBDHM C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416492837 559317290 /nfs/dbraw/zinc/31/72/90/559317290.db2.gz FRVWAACGKJTQHS-SECBINFHSA-N -1 3 370.349 2.301 20 5 FEBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416492838 559317393 /nfs/dbraw/zinc/31/73/93/559317393.db2.gz FRVWAACGKJTQHS-VIFPVBQESA-N -1 3 370.349 2.301 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1=CCOCC1 ZINC000416494935 559317660 /nfs/dbraw/zinc/31/76/60/559317660.db2.gz LHBVCKDDTHDZIT-UHFFFAOYSA-N -1 3 366.317 2.239 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC000416498046 559317931 /nfs/dbraw/zinc/31/79/31/559317931.db2.gz UPAQDMFUMGQBJG-UHFFFAOYSA-N -1 3 368.333 2.055 20 5 FEBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000416579264 559322981 /nfs/dbraw/zinc/32/29/81/559322981.db2.gz OASUMCOSMUXIQG-PBHICJAKSA-N -1 3 362.407 2.494 20 5 FEBDHM CCc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467472 559489076 /nfs/dbraw/zinc/48/90/76/559489076.db2.gz SPLLGKLJQKHKSV-GFCCVEGCSA-N -1 3 355.441 2.197 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000427138072 559748847 /nfs/dbraw/zinc/74/88/47/559748847.db2.gz VRECZPHOXOSTJN-UHFFFAOYSA-N -1 3 373.350 2.480 20 5 FEBDHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000431645695 559843199 /nfs/dbraw/zinc/84/31/99/559843199.db2.gz RGLYLUFTWOTNDF-NSHDSACASA-N -1 3 371.459 2.042 20 5 FEBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000433625289 559885360 /nfs/dbraw/zinc/88/53/60/559885360.db2.gz LBIAPQCKGBIOFO-UHFFFAOYSA-N -1 3 356.429 2.059 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000436168942 559936670 /nfs/dbraw/zinc/93/66/70/559936670.db2.gz YYTMAMWEIQPQTK-HNNXBMFYSA-N -1 3 354.359 2.400 20 5 FEBDHM O=C(NCCNc1ncnc2sc([N+](=O)[O-])cc21)c1ccc([O-])cc1 ZINC000436555280 559945179 /nfs/dbraw/zinc/94/51/79/559945179.db2.gz LIFOFXMMVASWSW-UHFFFAOYSA-N -1 3 359.367 2.147 20 5 FEBDHM O=C(Nc1ccc2c(c1F)CCNC2=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000436867748 559954939 /nfs/dbraw/zinc/95/49/39/559954939.db2.gz FLSBANIFIIQZLJ-UHFFFAOYSA-N -1 3 369.312 2.148 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)NCCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436971998 559958011 /nfs/dbraw/zinc/95/80/11/559958011.db2.gz QRMOWDQURIOWHC-UHFFFAOYSA-N -1 3 371.393 2.088 20 5 FEBDHM CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc2C1 ZINC000439836745 560000607 /nfs/dbraw/zinc/00/06/07/560000607.db2.gz ZXCRLNDEXNPELY-UHFFFAOYSA-N -1 3 355.394 2.129 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000440665297 560015901 /nfs/dbraw/zinc/01/59/01/560015901.db2.gz GZUSKBJFHYRSOL-UHFFFAOYSA-N -1 3 374.781 2.173 20 5 FEBDHM COc1nnc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[n-]1 ZINC000444296552 560108540 /nfs/dbraw/zinc/10/85/40/560108540.db2.gz YXWSBHKZFQMZDT-UHFFFAOYSA-N -1 3 371.303 2.339 20 5 FEBDHM COc1nc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[n-]1 ZINC000444296552 560108541 /nfs/dbraw/zinc/10/85/41/560108541.db2.gz YXWSBHKZFQMZDT-UHFFFAOYSA-N -1 3 371.303 2.339 20 5 FEBDHM COc1n[n-]c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 ZINC000444296552 560108542 /nfs/dbraw/zinc/10/85/42/560108542.db2.gz YXWSBHKZFQMZDT-UHFFFAOYSA-N -1 3 371.303 2.339 20 5 FEBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000444642614 560117487 /nfs/dbraw/zinc/11/74/87/560117487.db2.gz ITMMKYSITYWBAM-UHFFFAOYSA-N -1 3 363.333 2.243 20 5 FEBDHM Cc1noc(COc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)n1 ZINC000444987735 560126194 /nfs/dbraw/zinc/12/61/94/560126194.db2.gz DQIMMPIMIQLIEE-UHFFFAOYSA-N -1 3 371.309 2.218 20 5 FEBDHM CC(=O)N1CCCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000445170077 560130205 /nfs/dbraw/zinc/13/02/05/560130205.db2.gz BCUYJUQVHVIZPK-UHFFFAOYSA-N -1 3 356.338 2.247 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccco2)c(Br)c1 ZINC000446949544 560153937 /nfs/dbraw/zinc/15/39/37/560153937.db2.gz VWJVHKYXZNDTGI-UHFFFAOYSA-N -1 3 361.173 2.429 20 5 FEBDHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448569155 560190430 /nfs/dbraw/zinc/19/04/30/560190430.db2.gz BFNAEYMVSNVTOW-UHFFFAOYSA-N -1 3 359.357 2.331 20 5 FEBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451656537 560319831 /nfs/dbraw/zinc/31/98/31/560319831.db2.gz UBYSJTZJQOSPSD-MRVPVSSYSA-N -1 3 374.312 2.370 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1C ZINC000451817921 560330544 /nfs/dbraw/zinc/33/05/44/560330544.db2.gz UNBPOPPCGCRXPV-UHFFFAOYSA-N -1 3 360.407 2.256 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451855912 560332653 /nfs/dbraw/zinc/33/26/53/560332653.db2.gz PAAGIFYAQMPRJT-FZMZJTMJSA-N -1 3 360.457 2.040 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451863316 560333129 /nfs/dbraw/zinc/33/31/29/560333129.db2.gz VZIDOIPOWZKKNJ-CJNGLKHVSA-N -1 3 358.460 2.471 20 5 FEBDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000451962246 560340901 /nfs/dbraw/zinc/34/09/01/560340901.db2.gz WBRUAMUBGPBXOA-UHFFFAOYSA-N -1 3 355.372 2.022 20 5 FEBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cn(CC2CC2)nn1 ZINC000459902540 560718194 /nfs/dbraw/zinc/71/81/94/560718194.db2.gz PPFZCJIUNCRBMV-UHFFFAOYSA-N -1 3 359.342 2.010 20 5 FEBDHM CSC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCOCC1 ZINC000462398287 560808732 /nfs/dbraw/zinc/80/87/32/560808732.db2.gz YJBPUALVEDXKAQ-UHFFFAOYSA-N -1 3 360.457 2.094 20 5 FEBDHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000462415031 560809186 /nfs/dbraw/zinc/80/91/86/560809186.db2.gz FVYSNSFTOGSYEH-LLVKDONJSA-N -1 3 366.443 2.163 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)nc1C ZINC000466521534 560888775 /nfs/dbraw/zinc/88/87/75/560888775.db2.gz XZFSXSGXTQVGQY-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC(C)C ZINC000467087040 560903362 /nfs/dbraw/zinc/90/33/62/560903362.db2.gz WBHFFZCFCRTUEC-JTQLQIEISA-N -1 3 364.445 2.078 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C ZINC000468953648 560943175 /nfs/dbraw/zinc/94/31/75/560943175.db2.gz JSVHBFNRQXNVJN-NWDGAFQWSA-N -1 3 370.427 2.486 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccn2)c(Cl)c1 ZINC000472337526 561024607 /nfs/dbraw/zinc/02/46/07/561024607.db2.gz PWGXOQVYJZMSDE-UHFFFAOYSA-N -1 3 356.791 2.034 20 5 FEBDHM C[C@]1(c2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)NC(=O)[N-]C1=O ZINC000473350449 561048072 /nfs/dbraw/zinc/04/80/72/561048072.db2.gz NEUPKIASLXRKPM-QGZVFWFLSA-N -1 3 372.312 2.041 20 5 FEBDHM COCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000532614826 562483326 /nfs/dbraw/zinc/48/33/26/562483326.db2.gz KLMVQRDTBNTWBL-UHFFFAOYSA-N -1 3 354.306 2.071 20 5 FEBDHM COc1ccc([O-])c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 ZINC000532346191 562474826 /nfs/dbraw/zinc/47/48/26/562474826.db2.gz VQLMCRRIFDOYDB-UHFFFAOYSA-N -1 3 369.337 2.450 20 5 FEBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532673413 562485199 /nfs/dbraw/zinc/48/51/99/562485199.db2.gz KSNTZWLZGOOZKP-UHFFFAOYSA-N -1 3 363.337 2.432 20 5 FEBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532673413 562485200 /nfs/dbraw/zinc/48/52/00/562485200.db2.gz KSNTZWLZGOOZKP-UHFFFAOYSA-N -1 3 363.337 2.432 20 5 FEBDHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000534086164 562524956 /nfs/dbraw/zinc/52/49/56/562524956.db2.gz UDAGFKLUYZZEBK-VIFPVBQESA-N -1 3 364.807 2.116 20 5 FEBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000545934266 562631452 /nfs/dbraw/zinc/63/14/52/562631452.db2.gz CQJVUFNMKJFJTD-UHFFFAOYSA-N -1 3 369.424 2.402 20 5 FEBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000738370994 598240045 /nfs/dbraw/zinc/24/00/45/598240045.db2.gz ZQDUXIYRAAJKJP-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM CSC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCOCC1 ZINC000821950539 607346841 /nfs/dbraw/zinc/34/68/41/607346841.db2.gz OLIKKBXYSLOMPL-UHFFFAOYSA-N -1 3 350.404 2.099 20 5 FEBDHM CC(C)c1ncc2c(n1)CN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000735942018 598375569 /nfs/dbraw/zinc/37/55/69/598375569.db2.gz AOTUARUSCGHREI-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM CC(C)c1ncc2c(n1)CN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000735942018 598375571 /nfs/dbraw/zinc/37/55/71/598375571.db2.gz AOTUARUSCGHREI-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc([N+](=O)[O-])c1 ZINC000738317272 598380947 /nfs/dbraw/zinc/38/09/47/598380947.db2.gz AUQDFIUFFDJSID-NTEUORMPSA-N -1 3 362.305 2.119 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc([N+](=O)[O-])c1 ZINC000738317272 598380949 /nfs/dbraw/zinc/38/09/49/598380949.db2.gz AUQDFIUFFDJSID-NTEUORMPSA-N -1 3 362.305 2.119 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735873203 598447606 /nfs/dbraw/zinc/44/76/06/598447606.db2.gz BZIZDMMOQSMRGB-UHFFFAOYSA-N -1 3 367.369 2.221 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735873203 598447607 /nfs/dbraw/zinc/44/76/07/598447607.db2.gz BZIZDMMOQSMRGB-UHFFFAOYSA-N -1 3 367.369 2.221 20 5 FEBDHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737072670 598591940 /nfs/dbraw/zinc/59/19/40/598591940.db2.gz VJAOTLBNPHABEJ-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737072670 598591942 /nfs/dbraw/zinc/59/19/42/598591942.db2.gz VJAOTLBNPHABEJ-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccccc1CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737150074 598797389 /nfs/dbraw/zinc/79/73/89/598797389.db2.gz LXHYLBQRQZCLHB-UHFFFAOYSA-N -1 3 354.370 2.462 20 5 FEBDHM COc1ccccc1CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737150074 598797390 /nfs/dbraw/zinc/79/73/90/598797390.db2.gz LXHYLBQRQZCLHB-UHFFFAOYSA-N -1 3 354.370 2.462 20 5 FEBDHM CCN(CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821207332 599380591 /nfs/dbraw/zinc/38/05/91/599380591.db2.gz LHZAPGZIVSIKPB-UHFFFAOYSA-N -1 3 368.401 2.498 20 5 FEBDHM CCN(CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821207332 599380594 /nfs/dbraw/zinc/38/05/94/599380594.db2.gz LHZAPGZIVSIKPB-UHFFFAOYSA-N -1 3 368.401 2.498 20 5 FEBDHM CCOC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821367983 599490202 /nfs/dbraw/zinc/49/02/02/599490202.db2.gz PBFMISSHSABCBD-UHFFFAOYSA-N -1 3 369.385 2.328 20 5 FEBDHM CCOC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821367983 599490204 /nfs/dbraw/zinc/49/02/04/599490204.db2.gz PBFMISSHSABCBD-UHFFFAOYSA-N -1 3 369.385 2.328 20 5 FEBDHM C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327611 599523425 /nfs/dbraw/zinc/52/34/25/599523425.db2.gz HTXFJIVYYPILKF-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327611 599523427 /nfs/dbraw/zinc/52/34/27/599523427.db2.gz HTXFJIVYYPILKF-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000820994388 599549363 /nfs/dbraw/zinc/54/93/63/599549363.db2.gz HGIYKADHQGABDS-CMPLNLGQSA-N -1 3 369.385 2.327 20 5 FEBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000820994388 599549365 /nfs/dbraw/zinc/54/93/65/599549365.db2.gz HGIYKADHQGABDS-CMPLNLGQSA-N -1 3 369.385 2.327 20 5 FEBDHM CO[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821677294 599687626 /nfs/dbraw/zinc/68/76/26/599687626.db2.gz SZAMSBAVMKZSAG-CQSZACIVSA-N -1 3 357.374 2.406 20 5 FEBDHM CO[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821677294 599687627 /nfs/dbraw/zinc/68/76/27/599687627.db2.gz SZAMSBAVMKZSAG-CQSZACIVSA-N -1 3 357.374 2.406 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821745041 607420026 /nfs/dbraw/zinc/42/00/26/607420026.db2.gz BCDUPYVJAFOIER-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821745041 607420028 /nfs/dbraw/zinc/42/00/28/607420028.db2.gz BCDUPYVJAFOIER-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C([O-])[C@@H]1c2ccccc2CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566626037 601546733 /nfs/dbraw/zinc/54/67/33/601546733.db2.gz VNGAVCZPFVXMLM-YJBOKZPZSA-N -1 3 372.377 2.019 20 5 FEBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1-c1nnn[n-]1 ZINC000826200697 607579721 /nfs/dbraw/zinc/57/97/21/607579721.db2.gz DNUSNVKHOBYVCJ-UHFFFAOYSA-N -1 3 374.382 2.083 20 5 FEBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1-c1nn[n-]n1 ZINC000826200697 607579723 /nfs/dbraw/zinc/57/97/23/607579723.db2.gz DNUSNVKHOBYVCJ-UHFFFAOYSA-N -1 3 374.382 2.083 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1-c1nnn[n-]1 ZINC000826206519 607605677 /nfs/dbraw/zinc/60/56/77/607605677.db2.gz XUBFIGIEDVUCOO-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1-c1nn[n-]n1 ZINC000826206519 607605678 /nfs/dbraw/zinc/60/56/78/607605678.db2.gz XUBFIGIEDVUCOO-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CCOC(=O)CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000825506183 607731156 /nfs/dbraw/zinc/73/11/56/607731156.db2.gz GRIRYZVSTLZFLA-GFCCVEGCSA-N -1 3 374.401 2.335 20 5 FEBDHM CCOC(=O)CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000825506183 607731159 /nfs/dbraw/zinc/73/11/59/607731159.db2.gz GRIRYZVSTLZFLA-GFCCVEGCSA-N -1 3 374.401 2.335 20 5 FEBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000834181901 605327721 /nfs/dbraw/zinc/32/77/21/605327721.db2.gz MQTWBJXKESUGRJ-TUKIKUTGSA-N -1 3 359.386 2.270 20 5 FEBDHM Cc1cnc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822399889 606020231 /nfs/dbraw/zinc/02/02/31/606020231.db2.gz OSAVKAKNTUMJLJ-UHFFFAOYSA-N -1 3 356.342 2.326 20 5 FEBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810091512 674531234 /nfs/dbraw/zinc/53/12/34/674531234.db2.gz YWICKBNYMHNGBX-SECBINFHSA-N -1 3 367.830 2.394 20 5 FEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823336966 606666558 /nfs/dbraw/zinc/66/65/58/606666558.db2.gz DMCOIWLTDMEMSB-UHFFFAOYSA-N -1 3 364.243 2.445 20 5 FEBDHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000823459494 606681243 /nfs/dbraw/zinc/68/12/43/606681243.db2.gz ACLBGEKHWKODNS-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000823459494 606681244 /nfs/dbraw/zinc/68/12/44/606681244.db2.gz ACLBGEKHWKODNS-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160725 606799984 /nfs/dbraw/zinc/79/99/84/606799984.db2.gz PIVIGEJJRLRRAD-LLVKDONJSA-N -1 3 367.369 2.393 20 5 FEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160725 606799986 /nfs/dbraw/zinc/79/99/86/606799986.db2.gz PIVIGEJJRLRRAD-LLVKDONJSA-N -1 3 367.369 2.393 20 5 FEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820774283 607115800 /nfs/dbraw/zinc/11/58/00/607115800.db2.gz AFCGAVYXTUGSCQ-TVQRCGJNSA-N -1 3 373.398 2.198 20 5 FEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820774283 607115801 /nfs/dbraw/zinc/11/58/01/607115801.db2.gz AFCGAVYXTUGSCQ-TVQRCGJNSA-N -1 3 373.398 2.198 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826272353 607863601 /nfs/dbraw/zinc/86/36/01/607863601.db2.gz FOHWIFBXADKSBY-UHFFFAOYSA-N -1 3 360.355 2.162 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826272353 607863602 /nfs/dbraw/zinc/86/36/02/607863602.db2.gz FOHWIFBXADKSBY-UHFFFAOYSA-N -1 3 360.355 2.162 20 5 FEBDHM O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470622 607964418 /nfs/dbraw/zinc/96/44/18/607964418.db2.gz XASVNGCKGHBCHA-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470622 607964419 /nfs/dbraw/zinc/96/44/19/607964419.db2.gz XASVNGCKGHBCHA-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nnn[n-]2)c1 ZINC000826500515 607969218 /nfs/dbraw/zinc/96/92/18/607969218.db2.gz AQJUFDZOYDIHLO-UHFFFAOYSA-N -1 3 362.353 2.214 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nn[n-]n2)c1 ZINC000826500515 607969219 /nfs/dbraw/zinc/96/92/19/607969219.db2.gz AQJUFDZOYDIHLO-UHFFFAOYSA-N -1 3 362.353 2.214 20 5 FEBDHM Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ncc1[N+](=O)[O-] ZINC000826269668 608053279 /nfs/dbraw/zinc/05/32/79/608053279.db2.gz SODOEGRRLKDPNA-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ncc1[N+](=O)[O-] ZINC000826269668 608053280 /nfs/dbraw/zinc/05/32/80/608053280.db2.gz SODOEGRRLKDPNA-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM CC[C@H](C)OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825074990 608161228 /nfs/dbraw/zinc/16/12/28/608161228.db2.gz MLCPSOKSPRVIDJ-ZETCQYMHSA-N -1 3 354.754 2.182 20 5 FEBDHM CC[C@H](C)OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825074990 608161230 /nfs/dbraw/zinc/16/12/30/608161230.db2.gz MLCPSOKSPRVIDJ-ZETCQYMHSA-N -1 3 354.754 2.182 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1CNc1ccc(-c3nn[n-]n3)cc1)OCCO2 ZINC000826498431 608866862 /nfs/dbraw/zinc/86/68/62/608866862.db2.gz UNZADVAOOWUZQQ-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826330542 609311400 /nfs/dbraw/zinc/31/14/00/609311400.db2.gz YOSUKZHLIXRCKN-UHFFFAOYSA-N -1 3 364.163 2.091 20 5 FEBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826330542 609311401 /nfs/dbraw/zinc/31/14/01/609311401.db2.gz YOSUKZHLIXRCKN-UHFFFAOYSA-N -1 3 364.163 2.091 20 5 FEBDHM Cc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000826290671 609595281 /nfs/dbraw/zinc/59/52/81/609595281.db2.gz UWPGVRFFVHVHMS-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1 ZINC000826290671 609595282 /nfs/dbraw/zinc/59/52/82/609595282.db2.gz UWPGVRFFVHVHMS-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000561576395 674681459 /nfs/dbraw/zinc/68/14/59/674681459.db2.gz XCELNDKGBLETHU-UHFFFAOYSA-N -1 3 354.315 2.321 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000562890523 674820064 /nfs/dbraw/zinc/82/00/64/674820064.db2.gz XDYSNWGQHCPDIT-LLVKDONJSA-N -1 3 370.333 2.155 20 5 FEBDHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000563437221 674888126 /nfs/dbraw/zinc/88/81/26/674888126.db2.gz WGQHHNBXUOZKAL-LBPRGKRZSA-N -1 3 359.423 2.133 20 5 FEBDHM C[C@H]1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022298 674899747 /nfs/dbraw/zinc/89/97/47/674899747.db2.gz NVTFZHXSRODAEY-VIFPVBQESA-N -1 3 365.814 2.007 20 5 FEBDHM O=C([O-])C1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000576843867 671399089 /nfs/dbraw/zinc/39/90/89/671399089.db2.gz OORREBMSFUOTKU-UHFFFAOYSA-N -1 3 363.395 2.442 20 5 FEBDHM CCOc1cc(CN2CCC[C@@](COC)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000579724047 671756456 /nfs/dbraw/zinc/75/64/56/671756456.db2.gz DZUMGRCWNDQBLV-QGZVFWFLSA-N -1 3 352.387 2.307 20 5 FEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000125529487 672013047 /nfs/dbraw/zinc/01/30/47/672013047.db2.gz UOGJOQPQEQNUIX-UHFFFAOYSA-N -1 3 362.289 2.314 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc([N+](=O)[O-])c1F ZINC000132423748 672097990 /nfs/dbraw/zinc/09/79/90/672097990.db2.gz PCTLTKVSPWQSSB-UHFFFAOYSA-N -1 3 371.321 2.081 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1cccc(F)c1 ZINC000160069130 672288768 /nfs/dbraw/zinc/28/87/68/672288768.db2.gz MMTMTKPPGZEGAV-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM COCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173105982 672348159 /nfs/dbraw/zinc/34/81/59/672348159.db2.gz YJSUVTYFTCDGRC-UHFFFAOYSA-N -1 3 367.221 2.061 20 5 FEBDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173188908 672348796 /nfs/dbraw/zinc/34/87/96/672348796.db2.gz LAUABKSTMOLGJP-MRVPVSSYSA-N -1 3 367.221 2.061 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CCN2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591967 672594556 /nfs/dbraw/zinc/59/45/56/672594556.db2.gz WIMATIBBKHIKRV-LLVKDONJSA-N -1 3 359.423 2.053 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1 ZINC000591325275 672669892 /nfs/dbraw/zinc/66/98/92/672669892.db2.gz CXLDHUZWSMVALI-UHFFFAOYSA-N -1 3 364.305 2.124 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)nc1 ZINC000593535241 672936227 /nfs/dbraw/zinc/93/62/27/672936227.db2.gz UFRODUJUQOUVFU-UHFFFAOYSA-N -1 3 353.425 2.409 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000593539891 672937516 /nfs/dbraw/zinc/93/75/16/672937516.db2.gz IAWHYTJMFUHVHV-UHFFFAOYSA-N -1 3 353.375 2.385 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)nc1 ZINC000593584827 672951288 /nfs/dbraw/zinc/95/12/88/672951288.db2.gz DALYWMAGQVNAGS-AWEZNQCLSA-N -1 3 351.359 2.485 20 5 FEBDHM Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594802708 673148634 /nfs/dbraw/zinc/14/86/34/673148634.db2.gz ZKMBWYTUHXMBMS-LLVKDONJSA-N -1 3 353.375 2.347 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCN(C2CCCCC2)C1 ZINC000594854180 673165251 /nfs/dbraw/zinc/16/52/51/673165251.db2.gz FHIKZJCEJLXZMT-GFCCVEGCSA-N -1 3 371.434 2.419 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCN(CC2CCCC2)C1 ZINC000462569735 673263832 /nfs/dbraw/zinc/26/38/32/673263832.db2.gz HRTHWHXALXDBEK-ZDUSSCGKSA-N -1 3 371.434 2.277 20 5 FEBDHM CCc1nnc(NC(=O)[C@H](C)[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596232444 673370319 /nfs/dbraw/zinc/37/03/19/673370319.db2.gz UEHLQTNDQLBHPZ-SFYZADRCSA-N -1 3 366.403 2.185 20 5 FEBDHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000543975552 673680620 /nfs/dbraw/zinc/68/06/20/673680620.db2.gz VFSUHJRLZLGZTF-HTQZYQBOSA-N -1 3 356.322 2.051 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000548977783 674009129 /nfs/dbraw/zinc/00/91/29/674009129.db2.gz AEIIFRXWBXNZRQ-UHFFFAOYSA-N -1 3 356.322 2.470 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000820792945 675388690 /nfs/dbraw/zinc/38/86/90/675388690.db2.gz MDUUNDQGYUWILU-HNNXBMFYSA-N -1 3 368.386 2.444 20 5 FEBDHM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(Cl)n1 ZINC000760326028 680683080 /nfs/dbraw/zinc/68/30/80/680683080.db2.gz XZJXYTUHRCZYSL-UHFFFAOYSA-N -1 3 373.774 2.461 20 5 FEBDHM C[C@H](CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000767175804 680901682 /nfs/dbraw/zinc/90/16/82/680901682.db2.gz BCVNWXBZHVFCIV-LLVKDONJSA-N -1 3 353.375 2.098 20 5 FEBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000845926450 681162974 /nfs/dbraw/zinc/16/29/74/681162974.db2.gz ZTQZRTHQHRATBB-ZBFHGGJFSA-N -1 3 365.411 2.170 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000848583583 681583466 /nfs/dbraw/zinc/58/34/66/681583466.db2.gz DAMRELDSGSNSGO-GFCCVEGCSA-N -1 3 356.281 2.318 20 5 FEBDHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000921404599 683459062 /nfs/dbraw/zinc/45/90/62/683459062.db2.gz ZOLPHWRYULYLFY-GFCCVEGCSA-N -1 3 366.848 2.049 20 5 FEBDHM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000872654347 684996744 /nfs/dbraw/zinc/99/67/44/684996744.db2.gz SBWAPGGCXPJYEJ-IWXRYERYSA-N -1 3 360.819 2.484 20 5 FEBDHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000017521531 539642448 /nfs/dbraw/zinc/64/24/48/539642448.db2.gz AVRSMTOPFNDDHK-INIZCTEOSA-N -1 3 372.406 2.396 20 5 FEBDHM Cc1c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000030661647 539888399 /nfs/dbraw/zinc/88/83/99/539888399.db2.gz LMZWQNPWWCJVHK-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM COc1ccccc1-c1nc(NC(=O)COc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000048012130 540340154 /nfs/dbraw/zinc/34/01/54/540340154.db2.gz ZCRWKOLGSOFRCC-UHFFFAOYSA-N -1 3 369.337 2.406 20 5 FEBDHM COc1cc(OCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000535880418 540524775 /nfs/dbraw/zinc/52/47/75/540524775.db2.gz QVSWXHWEFUHCBM-UHFFFAOYSA-N -1 3 369.337 2.406 20 5 FEBDHM CC1CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000055591643 540661403 /nfs/dbraw/zinc/66/14/03/540661403.db2.gz GQXWMYWCAUIIPD-UHFFFAOYSA-N -1 3 361.851 2.258 20 5 FEBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000057018698 540763248 /nfs/dbraw/zinc/76/32/48/540763248.db2.gz MNXHXODKWUNMJN-UHFFFAOYSA-N -1 3 364.379 2.250 20 5 FEBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001541 541277315 /nfs/dbraw/zinc/27/73/15/541277315.db2.gz VFVYBVOJAAADOA-NSHDSACASA-N -1 3 361.489 2.445 20 5 FEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000066327347 541302107 /nfs/dbraw/zinc/30/21/07/541302107.db2.gz UIGCQVGKLCAPLA-SECBINFHSA-N -1 3 361.470 2.299 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000069870096 541721582 /nfs/dbraw/zinc/72/15/82/541721582.db2.gz HDBYSYZDRQOFRI-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000072728891 541859065 /nfs/dbraw/zinc/85/90/65/541859065.db2.gz WKZSMJCHLNXHGW-STQMWFEESA-N -1 3 350.400 2.254 20 5 FEBDHM CCc1nn(C)c(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000094132811 542953293 /nfs/dbraw/zinc/95/32/93/542953293.db2.gz QKNMAVNDNZLSGL-UHFFFAOYSA-N -1 3 373.413 2.451 20 5 FEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111352595 543398627 /nfs/dbraw/zinc/39/86/27/543398627.db2.gz XXIHIAPTOHHDIT-LBPRGKRZSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(-c2nc[nH]n2)c1 ZINC000123091077 543741320 /nfs/dbraw/zinc/74/13/20/543741320.db2.gz RDFOBZXTQINRAX-UHFFFAOYSA-N -1 3 373.394 2.167 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000124858929 543847128 /nfs/dbraw/zinc/84/71/28/543847128.db2.gz ZBHHGCLXTHPAFR-ZIAGYGMSSA-N -1 3 362.835 2.468 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000125116260 543861564 /nfs/dbraw/zinc/86/15/64/543861564.db2.gz XQWHMSKTADMBMJ-UHFFFAOYSA-N -1 3 363.337 2.437 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000125116260 543861566 /nfs/dbraw/zinc/86/15/66/543861566.db2.gz XQWHMSKTADMBMJ-UHFFFAOYSA-N -1 3 363.337 2.437 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cn3cccc(C)c3n2)cc1[N+](=O)[O-] ZINC000125824666 543904260 /nfs/dbraw/zinc/90/42/60/543904260.db2.gz AYNOAVKDXABIRI-UHFFFAOYSA-N -1 3 366.424 2.399 20 5 FEBDHM Cc1nc(C)c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(=O)[n-]1 ZINC000135187592 544337303 /nfs/dbraw/zinc/33/73/03/544337303.db2.gz JQMJTGLIWYOOIA-UHFFFAOYSA-N -1 3 356.382 2.029 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000153046824 544727000 /nfs/dbraw/zinc/72/70/00/544727000.db2.gz UAQCBNKAJQQFST-UHFFFAOYSA-N -1 3 352.354 2.024 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000153046824 544727004 /nfs/dbraw/zinc/72/70/04/544727004.db2.gz UAQCBNKAJQQFST-UHFFFAOYSA-N -1 3 352.354 2.024 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1F ZINC000803460551 674243740 /nfs/dbraw/zinc/24/37/40/674243740.db2.gz DAPSNDJGZGLBLV-UHFFFAOYSA-N -1 3 366.326 2.217 20 5 FEBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000188537695 328093663 /nfs/dbraw/zinc/09/36/63/328093663.db2.gz NFFPWNSKFOGYHZ-JGVFFNPUSA-N -1 3 367.221 2.059 20 5 FEBDHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000189748480 328165858 /nfs/dbraw/zinc/16/58/58/328165858.db2.gz PLCGWURXUYTUHJ-QMMMGPOBSA-N -1 3 360.164 2.447 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccnc2N(C)C)c1[N+](=O)[O-] ZINC000189849437 328171369 /nfs/dbraw/zinc/17/13/69/328171369.db2.gz TYRLSUOQIRCYKR-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189941311 328177449 /nfs/dbraw/zinc/17/74/49/328177449.db2.gz QLJGNUULPWDGMJ-GFCCVEGCSA-N -1 3 352.416 2.293 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)c1[N+](=O)[O-] ZINC000190019551 328183082 /nfs/dbraw/zinc/18/30/82/328183082.db2.gz SBWYQQFSHLJTNC-UHFFFAOYSA-N -1 3 360.342 2.282 20 5 FEBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190030258 328183486 /nfs/dbraw/zinc/18/34/86/328183486.db2.gz QMNIIGGSCPDIPW-UHFFFAOYSA-N -1 3 352.416 2.040 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000193027221 328352792 /nfs/dbraw/zinc/35/27/92/328352792.db2.gz WSBFFBBDPRAIQJ-UHFFFAOYSA-N -1 3 353.331 2.358 20 5 FEBDHM O=C(Nc1nc(Cc2ccccc2)ns1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193561893 328381887 /nfs/dbraw/zinc/38/18/87/328381887.db2.gz PZCNGOZYLXCQMO-UHFFFAOYSA-N -1 3 357.351 2.390 20 5 FEBDHM C[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000193691936 328389741 /nfs/dbraw/zinc/38/97/41/328389741.db2.gz FSMALCGSHACQAR-DOMZBBRYSA-N -1 3 356.382 2.088 20 5 FEBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000108404987 325642025 /nfs/dbraw/zinc/64/20/25/325642025.db2.gz LPRSEPXXQYEXPY-UHFFFAOYSA-N -1 3 355.441 2.498 20 5 FEBDHM Cc1ccc([C@H](C)NC(=O)c2cnc3c(cnn3C)c2[O-])cc1[N+](=O)[O-] ZINC000119318755 326148842 /nfs/dbraw/zinc/14/88/42/326148842.db2.gz LYGCOBNEIXZNKS-JTQLQIEISA-N -1 3 355.354 2.382 20 5 FEBDHM CCOc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000120613578 326273262 /nfs/dbraw/zinc/27/32/62/326273262.db2.gz QEDJICAXGMMWKY-UHFFFAOYSA-N -1 3 368.353 2.350 20 5 FEBDHM CCOc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000120613578 326273264 /nfs/dbraw/zinc/27/32/64/326273264.db2.gz QEDJICAXGMMWKY-UHFFFAOYSA-N -1 3 368.353 2.350 20 5 FEBDHM CN1CCc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc2C1=O ZINC000122698903 326406040 /nfs/dbraw/zinc/40/60/40/326406040.db2.gz RXIGMYSHQGTKKV-UHFFFAOYSA-N -1 3 365.349 2.352 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000130927217 326565744 /nfs/dbraw/zinc/56/57/44/326565744.db2.gz ARSKJFZAYCJHOE-GFCCVEGCSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2O)c1C ZINC000159652249 326938071 /nfs/dbraw/zinc/93/80/71/326938071.db2.gz CPGMLRXSDFOMTD-UHFFFAOYSA-N -1 3 350.396 2.438 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC000162636972 327030728 /nfs/dbraw/zinc/03/07/28/327030728.db2.gz KQICVRDGSZSZKK-UKRRQHHQSA-N -1 3 354.428 2.448 20 5 FEBDHM CC[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163473222 327052348 /nfs/dbraw/zinc/05/23/48/327052348.db2.gz UMFNZSPWQNXYOE-SECBINFHSA-N -1 3 356.322 2.053 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174608760 327338261 /nfs/dbraw/zinc/33/82/61/327338261.db2.gz YFXQNEDBLBIYAL-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cccc1S(=O)(=O)NC1CC1 ZINC000265833754 329164965 /nfs/dbraw/zinc/16/49/65/329164965.db2.gz XHLFVOKNVQMDIZ-UHFFFAOYSA-N -1 3 365.367 2.189 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1C(C)C ZINC000267690879 329350301 /nfs/dbraw/zinc/35/03/01/329350301.db2.gz FVFITDBAJMWDJE-WBMJQRKESA-N -1 3 372.443 2.333 20 5 FEBDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000156584999 545637562 /nfs/dbraw/zinc/63/75/62/545637562.db2.gz LZSIJIONIGYICA-MRXNPFEDSA-N -1 3 364.423 2.478 20 5 FEBDHM CN1CCC(Oc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cn2)CC1 ZINC000477693144 561151268 /nfs/dbraw/zinc/15/12/68/561151268.db2.gz KHCUBEFXVMCFIL-UHFFFAOYSA-N -1 3 372.381 2.421 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000173729468 546285738 /nfs/dbraw/zinc/28/57/38/546285738.db2.gz WOZFDQVLACOWJF-LLVKDONJSA-N -1 3 354.359 2.480 20 5 FEBDHM Cc1c(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cccc1[N+](=O)[O-] ZINC000480560953 561211924 /nfs/dbraw/zinc/21/19/24/561211924.db2.gz WKMNFKBMDDJPKW-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c1C ZINC000480929270 561220470 /nfs/dbraw/zinc/22/04/70/561220470.db2.gz COHPSKJYNVEWLO-CQSZACIVSA-N -1 3 362.407 2.494 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000179034181 546889473 /nfs/dbraw/zinc/88/94/73/546889473.db2.gz ACKSIXSFJLCRQE-MRVPVSSYSA-N -1 3 354.306 2.071 20 5 FEBDHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484125267 561292107 /nfs/dbraw/zinc/29/21/07/561292107.db2.gz ANZUBGCPLXQVSY-UHFFFAOYSA-N -1 3 370.325 2.177 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)c1 ZINC000183717436 547706785 /nfs/dbraw/zinc/70/67/85/547706785.db2.gz MFLMLLFZFLIWRT-NXEZZACHSA-N -1 3 350.824 2.242 20 5 FEBDHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184552783 547844158 /nfs/dbraw/zinc/84/41/58/547844158.db2.gz YSIQUNQRNXUPSP-INIZCTEOSA-N -1 3 350.396 2.056 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000185966272 548066657 /nfs/dbraw/zinc/06/66/57/548066657.db2.gz ILSWQKMYIFPYMH-GFCCVEGCSA-N -1 3 373.394 2.215 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000193984892 548417951 /nfs/dbraw/zinc/41/79/51/548417951.db2.gz CKIJGGZYWFARSF-UHFFFAOYSA-N -1 3 358.322 2.360 20 5 FEBDHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000486683782 561354322 /nfs/dbraw/zinc/35/43/22/561354322.db2.gz LXLOXQOONFRNAC-UHFFFAOYSA-N -1 3 364.807 2.258 20 5 FEBDHM CCc1[nH]nc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1[N+](=O)[O-] ZINC000195453133 548642187 /nfs/dbraw/zinc/64/21/87/548642187.db2.gz ZSDMBMYMCXWFRE-UHFFFAOYSA-N -1 3 368.353 2.191 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(C)C)C1(CO)CCC1 ZINC000490080022 561425975 /nfs/dbraw/zinc/42/59/75/561425975.db2.gz MENQLWRDEVNGJA-OAHLLOKOSA-N -1 3 356.444 2.369 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000490533348 561434599 /nfs/dbraw/zinc/43/45/99/561434599.db2.gz DNLREEFQGSODJL-UHFFFAOYSA-N -1 3 358.416 2.136 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000491586237 561446754 /nfs/dbraw/zinc/44/67/54/561446754.db2.gz LHSTVLZLTCHARG-GFCCVEGCSA-N -1 3 364.395 2.082 20 5 FEBDHM COc1ccc([C@@H](CCO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000269723411 550220324 /nfs/dbraw/zinc/22/03/24/550220324.db2.gz PYRHCSLIMSNCKQ-CQSZACIVSA-N -1 3 366.395 2.005 20 5 FEBDHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000271135676 550343827 /nfs/dbraw/zinc/34/38/27/550343827.db2.gz QZFYEAAGDJXZAN-SNVBAGLBSA-N -1 3 364.431 2.269 20 5 FEBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494352982 561467813 /nfs/dbraw/zinc/46/78/13/561467813.db2.gz STIGKVVHQVYTJC-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM O=C(NC1CCN(Cc2ccccn2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272506732 550453897 /nfs/dbraw/zinc/45/38/97/550453897.db2.gz FMFIOJZYHRNPHY-UHFFFAOYSA-N -1 3 356.382 2.090 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000274616575 550546156 /nfs/dbraw/zinc/54/61/56/550546156.db2.gz JKMDJXNAMHPQNY-CYBMUJFWSA-N -1 3 368.390 2.132 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCN(C2CC2)CC1 ZINC000277781129 550713398 /nfs/dbraw/zinc/71/33/98/550713398.db2.gz UHLZDHUXJVUAKH-UHFFFAOYSA-N -1 3 373.862 2.401 20 5 FEBDHM O=C(NCC1(N2CCCCC2)CCOCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280811647 551034583 /nfs/dbraw/zinc/03/45/83/551034583.db2.gz QQJLIYMFPWEWHM-UHFFFAOYSA-N -1 3 363.414 2.065 20 5 FEBDHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000281713899 551133906 /nfs/dbraw/zinc/13/39/06/551133906.db2.gz QIOXPHJPSMBLBD-VIFPVBQESA-N -1 3 350.343 2.317 20 5 FEBDHM COc1ncccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497793398 561508992 /nfs/dbraw/zinc/50/89/92/561508992.db2.gz KQGNLEWURYHMDX-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500153175 561567001 /nfs/dbraw/zinc/56/70/01/561567001.db2.gz YCWOHWSROPCOHT-LBPRGKRZSA-N -1 3 359.423 2.277 20 5 FEBDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000289375556 552310294 /nfs/dbraw/zinc/31/02/94/552310294.db2.gz MXNOMQOHLISQSS-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CCc1nnc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000289554627 552339919 /nfs/dbraw/zinc/33/99/19/552339919.db2.gz OMUPHZHWERKALS-UHFFFAOYSA-N -1 3 356.429 2.104 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000501450270 561597824 /nfs/dbraw/zinc/59/78/24/561597824.db2.gz GYIUTGLHJMQMBB-MWLCHTKSSA-N -1 3 366.342 2.042 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000296150609 553112920 /nfs/dbraw/zinc/11/29/20/553112920.db2.gz JSBTYBJMFHQMSU-VIFPVBQESA-N -1 3 350.824 2.244 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000503888912 561649535 /nfs/dbraw/zinc/64/95/35/561649535.db2.gz YRAXOMOCYBIMFR-CQSZACIVSA-N -1 3 354.384 2.385 20 5 FEBDHM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000327960856 553792288 /nfs/dbraw/zinc/79/22/88/553792288.db2.gz LZMAKVOFJIKVIJ-UHFFFAOYSA-N -1 3 370.427 2.222 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)cc1C ZINC000328535752 553793999 /nfs/dbraw/zinc/79/39/99/553793999.db2.gz SBJUMBFVEYPHIE-QGZVFWFLSA-N -1 3 364.423 2.398 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436487 554264412 /nfs/dbraw/zinc/26/44/12/554264412.db2.gz CWZZTQNUZDAEMK-BXKDBHETSA-N -1 3 359.835 2.009 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502465 554275651 /nfs/dbraw/zinc/27/56/51/554275651.db2.gz LWDITHTWCIHCMV-BXKDBHETSA-N -1 3 359.835 2.009 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)c1[N+](=O)[O-] ZINC000332189830 554397993 /nfs/dbraw/zinc/39/79/93/554397993.db2.gz QJYUKGZRGWZCLL-OAHLLOKOSA-N -1 3 356.444 2.287 20 5 FEBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1OC ZINC000509804233 561814526 /nfs/dbraw/zinc/81/45/26/561814526.db2.gz LFSUTQRKOUTHDA-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM COc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1[O-] ZINC000509863950 561816462 /nfs/dbraw/zinc/81/64/62/561816462.db2.gz MFNVJBIKDATUSP-LBPRGKRZSA-N -1 3 358.354 2.031 20 5 FEBDHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332691601 554497854 /nfs/dbraw/zinc/49/78/54/554497854.db2.gz QQJAMNZJUPAFEW-LLVKDONJSA-N -1 3 358.416 2.469 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccncc1F ZINC000510622655 561841143 /nfs/dbraw/zinc/84/11/43/561841143.db2.gz QLNSYALINQKNMB-VIFPVBQESA-N -1 3 355.347 2.177 20 5 FEBDHM C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000510692240 561843820 /nfs/dbraw/zinc/84/38/20/561843820.db2.gz AHMKYNHEYDWWRA-JOCHJYFZSA-N -1 3 374.465 2.013 20 5 FEBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000363279888 555069716 /nfs/dbraw/zinc/06/97/16/555069716.db2.gz GBXREXGIUYHVJP-CQSZACIVSA-N -1 3 356.382 2.042 20 5 FEBDHM CN1CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000376090527 558125765 /nfs/dbraw/zinc/12/57/65/558125765.db2.gz FPJXZIMRMOYZER-GUYCJALGSA-N -1 3 356.382 2.118 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000377843304 558433361 /nfs/dbraw/zinc/43/33/61/558433361.db2.gz HRUWQLIWQNRAPT-KCPJHIHWSA-N -1 3 370.427 2.085 20 5 FEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000378494080 558569120 /nfs/dbraw/zinc/56/91/20/558569120.db2.gz KZUMVRROWPOXOP-UHFFFAOYSA-N -1 3 368.338 2.032 20 5 FEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000378494080 558569123 /nfs/dbraw/zinc/56/91/23/558569123.db2.gz KZUMVRROWPOXOP-UHFFFAOYSA-N -1 3 368.338 2.032 20 5 FEBDHM O=C(Nc1ccc(N2CCC2=O)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000410244611 558748391 /nfs/dbraw/zinc/74/83/91/558748391.db2.gz FREVLTGYUKKKFK-UHFFFAOYSA-N -1 3 351.322 2.460 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])nc1C(C)C ZINC000412393526 559032930 /nfs/dbraw/zinc/03/29/30/559032930.db2.gz PDXHTSUAOBIUSL-UHFFFAOYSA-N -1 3 353.360 2.245 20 5 FEBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(=O)OC(C)(C)C ZINC000414230114 559153834 /nfs/dbraw/zinc/15/38/34/559153834.db2.gz SSOQEAPWQIFSOE-SNVBAGLBSA-N -1 3 360.370 2.901 20 5 FEBDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCc3ccccc3[N+](=O)[O-])cn21 ZINC000416406402 559310495 /nfs/dbraw/zinc/31/04/95/559310495.db2.gz FTDGKAQIDZVCIH-GFCCVEGCSA-N -1 3 364.427 2.210 20 5 FEBDHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416442330 559313066 /nfs/dbraw/zinc/31/30/66/559313066.db2.gz SYNQFXAIRJFDNO-SECBINFHSA-N -1 3 370.349 2.301 20 5 FEBDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416468088 559315362 /nfs/dbraw/zinc/31/53/62/559315362.db2.gz XLDKEOGYLRGEKS-PBKGFPTLSA-N -1 3 368.333 2.219 20 5 FEBDHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416492994 559317373 /nfs/dbraw/zinc/31/73/73/559317373.db2.gz FTHBJOPDLVBWAH-NSHDSACASA-N -1 3 368.333 2.317 20 5 FEBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416555005 559321595 /nfs/dbraw/zinc/32/15/95/559321595.db2.gz GWWFWIYXOUPCDG-MNOVXSKESA-N -1 3 368.333 2.459 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COCc2ccccc21 ZINC000416642190 559326974 /nfs/dbraw/zinc/32/69/74/559326974.db2.gz FGVFVACSHRCHDR-CQSZACIVSA-N -1 3 364.379 2.153 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c(F)c1 ZINC000416661871 559328441 /nfs/dbraw/zinc/32/84/41/559328441.db2.gz PNKJALPBOJQECQ-LBPRGKRZSA-N -1 3 360.407 2.344 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c([N+](=O)[O-])c1 ZINC000420709411 559499590 /nfs/dbraw/zinc/49/95/90/559499590.db2.gz RTAWTNJETIIGGR-LLVKDONJSA-N -1 3 372.468 2.415 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c(F)c1 ZINC000431288696 559837040 /nfs/dbraw/zinc/83/70/40/559837040.db2.gz UDYLZUXLMLYJKI-UHFFFAOYSA-N -1 3 352.343 2.243 20 5 FEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000436480556 559942635 /nfs/dbraw/zinc/94/26/35/559942635.db2.gz YSCCFWWHVRWDNN-UHFFFAOYSA-N -1 3 363.330 2.320 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436956638 559957560 /nfs/dbraw/zinc/95/75/60/559957560.db2.gz SOQDTKAOIMIMQI-UHFFFAOYSA-N -1 3 372.381 2.469 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000443271671 560077101 /nfs/dbraw/zinc/07/71/01/560077101.db2.gz LDPAUBCZDIAVKW-CYBMUJFWSA-N -1 3 354.359 2.054 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC000443280196 560077594 /nfs/dbraw/zinc/07/75/94/560077594.db2.gz WGPOMVHFOFACHM-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM O=C(Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)NC1CC1 ZINC000444852371 560122827 /nfs/dbraw/zinc/12/28/27/560122827.db2.gz TUYQAIBVCAXVPN-UHFFFAOYSA-N -1 3 357.326 2.232 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447925552 560173167 /nfs/dbraw/zinc/17/31/67/560173167.db2.gz JBKIITKGWLRRBH-HNNXBMFYSA-N -1 3 355.460 2.302 20 5 FEBDHM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000451744737 560326202 /nfs/dbraw/zinc/32/62/02/560326202.db2.gz GCUCKYBKLPPSQO-NEPJUHHUSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C1CCC1 ZINC000451861285 560332970 /nfs/dbraw/zinc/33/29/70/560332970.db2.gz FKFLVTGBKBPNQE-UHFFFAOYSA-N -1 3 356.400 2.238 20 5 FEBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000461243468 560764863 /nfs/dbraw/zinc/76/48/63/560764863.db2.gz WEIZVLUVJGLZBP-UHFFFAOYSA-N -1 3 360.761 2.056 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467059039 560902701 /nfs/dbraw/zinc/90/27/01/560902701.db2.gz SCPWYHMSWAHUTJ-CYBMUJFWSA-N -1 3 370.452 2.094 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000467065074 560902804 /nfs/dbraw/zinc/90/28/04/560902804.db2.gz OZSRYVDVHYWHTQ-ZWKOPEQDSA-N -1 3 360.457 2.447 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000467079709 560903165 /nfs/dbraw/zinc/90/31/65/560903165.db2.gz QDAYMMUQLHVQIW-UHFFFAOYSA-N -1 3 362.458 2.418 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1nnc(C(C)C)s1 ZINC000467776900 560917112 /nfs/dbraw/zinc/91/71/12/560917112.db2.gz KIJVMEZVCGCAAE-UHFFFAOYSA-N -1 3 372.428 2.057 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C ZINC000469185938 560949248 /nfs/dbraw/zinc/94/92/48/560949248.db2.gz MEQSJAUBVUBDAG-GXFFZTMASA-N -1 3 356.400 2.238 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000470886162 560992979 /nfs/dbraw/zinc/99/29/79/560992979.db2.gz MXXSKSNRERUKJQ-UHFFFAOYSA-N -1 3 371.349 2.162 20 5 FEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)CF)cc([N+](=O)[O-])c1C ZINC000472938010 561038295 /nfs/dbraw/zinc/03/82/95/561038295.db2.gz VGGPOAOGRZOGIB-UHFFFAOYSA-N -1 3 362.379 2.106 20 5 FEBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncccc1[O-] ZINC000473635686 561054640 /nfs/dbraw/zinc/05/46/40/561054640.db2.gz LFZOLHWIDXNLSE-UHFFFAOYSA-N -1 3 363.395 2.364 20 5 FEBDHM CCC1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)OC)CC1 ZINC000531432952 562445897 /nfs/dbraw/zinc/44/58/97/562445897.db2.gz NDQPIGYNGBBFHT-UHFFFAOYSA-N -1 3 370.427 2.385 20 5 FEBDHM Cc1cnccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000534174045 562526870 /nfs/dbraw/zinc/52/68/70/562526870.db2.gz ZLPRYVFNZPDNCZ-UHFFFAOYSA-N -1 3 372.200 2.283 20 5 FEBDHM COc1cc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2cc1OC ZINC000536808430 562580731 /nfs/dbraw/zinc/58/07/31/562580731.db2.gz XOTKUNNCYZXXEE-UHFFFAOYSA-N -1 3 363.355 2.208 20 5 FEBDHM Cc1nc(C)c(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(=O)[n-]1 ZINC000545673255 562629744 /nfs/dbraw/zinc/62/97/44/562629744.db2.gz UUBGCJJJUDVXQJ-UHFFFAOYSA-N -1 3 370.369 2.336 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000569148115 568291074 /nfs/dbraw/zinc/29/10/74/568291074.db2.gz FVJJOUSUWJJFAI-LLVKDONJSA-N -1 3 364.379 2.058 20 5 FEBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc2nccnc2c1 ZINC000569158157 568300264 /nfs/dbraw/zinc/30/02/64/568300264.db2.gz PUGSEUZTEJPVAS-UHFFFAOYSA-N -1 3 367.321 2.347 20 5 FEBDHM CN(C)CCOC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000570095619 568450668 /nfs/dbraw/zinc/45/06/68/568450668.db2.gz BUWAKUBSZRXLLO-UHFFFAOYSA-N -1 3 371.821 2.137 20 5 FEBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738255073 598892502 /nfs/dbraw/zinc/89/25/02/598892502.db2.gz REKWZTIPLORNPR-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738255073 598892504 /nfs/dbraw/zinc/89/25/04/598892504.db2.gz REKWZTIPLORNPR-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820281630 599060012 /nfs/dbraw/zinc/06/00/12/599060012.db2.gz WWQJXWGEFWIPLA-SECBINFHSA-N -1 3 359.321 2.188 20 5 FEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820281630 599060014 /nfs/dbraw/zinc/06/00/14/599060014.db2.gz WWQJXWGEFWIPLA-SECBINFHSA-N -1 3 359.321 2.188 20 5 FEBDHM Cc1ccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822259261 599068442 /nfs/dbraw/zinc/06/84/42/599068442.db2.gz RISSHRQTSGIVJZ-LLVKDONJSA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1ccc(O[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822259261 599068445 /nfs/dbraw/zinc/06/84/45/599068445.db2.gz RISSHRQTSGIVJZ-LLVKDONJSA-N -1 3 355.358 2.358 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccc(F)cc23)c(-c2nnn[n-]2)c1 ZINC000738373824 599207032 /nfs/dbraw/zinc/20/70/32/599207032.db2.gz HOUSHZXWQVKRCL-UHFFFAOYSA-N -1 3 368.332 2.445 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccc(F)cc23)c(-c2nn[n-]n2)c1 ZINC000738373824 599207034 /nfs/dbraw/zinc/20/70/34/599207034.db2.gz HOUSHZXWQVKRCL-UHFFFAOYSA-N -1 3 368.332 2.445 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821846360 607294896 /nfs/dbraw/zinc/29/48/96/607294896.db2.gz RYXLGKQFUZEDPY-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821846360 607294897 /nfs/dbraw/zinc/29/48/97/607294897.db2.gz RYXLGKQFUZEDPY-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370119 598310799 /nfs/dbraw/zinc/31/07/99/598310799.db2.gz QBSYATWBCFDUHG-HNNXBMFYSA-N -1 3 367.369 2.138 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370119 598310801 /nfs/dbraw/zinc/31/08/01/598310801.db2.gz QBSYATWBCFDUHG-HNNXBMFYSA-N -1 3 367.369 2.138 20 5 FEBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1-c1nnn[n-]1 ZINC000736676257 598517313 /nfs/dbraw/zinc/51/73/13/598517313.db2.gz PVMNOATWVAVPNO-UHFFFAOYSA-N -1 3 361.387 2.298 20 5 FEBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1-c1nn[n-]n1 ZINC000736676257 598517314 /nfs/dbraw/zinc/51/73/14/598517314.db2.gz PVMNOATWVAVPNO-UHFFFAOYSA-N -1 3 361.387 2.298 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738374587 598538502 /nfs/dbraw/zinc/53/85/02/598538502.db2.gz QQZBWOHNKIONEY-SNVBAGLBSA-N -1 3 353.342 2.148 20 5 FEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738374587 598538505 /nfs/dbraw/zinc/53/85/05/598538505.db2.gz QQZBWOHNKIONEY-SNVBAGLBSA-N -1 3 353.342 2.148 20 5 FEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738165898 598584239 /nfs/dbraw/zinc/58/42/39/598584239.db2.gz GGFZGFRGQOLTMB-UHFFFAOYSA-N -1 3 364.243 2.445 20 5 FEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738165898 598584240 /nfs/dbraw/zinc/58/42/40/598584240.db2.gz GGFZGFRGQOLTMB-UHFFFAOYSA-N -1 3 364.243 2.445 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000736950745 598752198 /nfs/dbraw/zinc/75/21/98/598752198.db2.gz MXEQNGBCRXPTLH-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COC(=O)c1cc(OCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000736950745 598752199 /nfs/dbraw/zinc/75/21/99/598752199.db2.gz MXEQNGBCRXPTLH-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM CC(=O)NCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735482527 598816964 /nfs/dbraw/zinc/81/69/64/598816964.db2.gz RVGCIZWSNMXZGH-UHFFFAOYSA-N -1 3 353.342 2.155 20 5 FEBDHM CC(=O)NCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735482527 598816966 /nfs/dbraw/zinc/81/69/66/598816966.db2.gz RVGCIZWSNMXZGH-UHFFFAOYSA-N -1 3 353.342 2.155 20 5 FEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738116809 599373356 /nfs/dbraw/zinc/37/33/56/599373356.db2.gz LOQISSKJWUSFGK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738116809 599373359 /nfs/dbraw/zinc/37/33/59/599373359.db2.gz LOQISSKJWUSFGK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000823639674 599466573 /nfs/dbraw/zinc/46/65/73/599466573.db2.gz FOXKXQUWNGEJOR-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000823639674 599466574 /nfs/dbraw/zinc/46/65/74/599466574.db2.gz FOXKXQUWNGEJOR-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645516 599488851 /nfs/dbraw/zinc/48/88/51/599488851.db2.gz SKVMCPITOXYIED-JTQLQIEISA-N -1 3 355.358 2.162 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645516 599488854 /nfs/dbraw/zinc/48/88/54/599488854.db2.gz SKVMCPITOXYIED-JTQLQIEISA-N -1 3 355.358 2.162 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1-c1nnn[n-]1 ZINC000820170403 607400011 /nfs/dbraw/zinc/40/00/11/607400011.db2.gz ZWKUNPFYQKMQID-UHFFFAOYSA-N -1 3 357.330 2.143 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1-c1nn[n-]n1 ZINC000820170403 607400013 /nfs/dbraw/zinc/40/00/13/607400013.db2.gz ZWKUNPFYQKMQID-UHFFFAOYSA-N -1 3 357.330 2.143 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000826428057 607415308 /nfs/dbraw/zinc/41/53/08/607415308.db2.gz NCYWGRYJWNZYJX-UHFFFAOYSA-N -1 3 350.338 2.194 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000826428057 607415309 /nfs/dbraw/zinc/41/53/09/607415309.db2.gz NCYWGRYJWNZYJX-UHFFFAOYSA-N -1 3 350.338 2.194 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826206341 607602645 /nfs/dbraw/zinc/60/26/45/607602645.db2.gz OIZJRCJVHDZYMQ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1 ZINC000826206341 607602646 /nfs/dbraw/zinc/60/26/46/607602646.db2.gz OIZJRCJVHDZYMQ-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000738769790 603078541 /nfs/dbraw/zinc/07/85/41/603078541.db2.gz GGTZUXOYXDURIS-OAHLLOKOSA-N -1 3 372.809 2.459 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826212356 607666460 /nfs/dbraw/zinc/66/64/60/607666460.db2.gz OEKFVOSRWKCPOL-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826212356 607666462 /nfs/dbraw/zinc/66/64/62/607666462.db2.gz OEKFVOSRWKCPOL-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM Cc1c(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000826236333 607684638 /nfs/dbraw/zinc/68/46/38/607684638.db2.gz HLJDSFOERIRJIC-UHFFFAOYSA-N -1 3 370.344 2.081 20 5 FEBDHM Cc1c(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000826236333 607684639 /nfs/dbraw/zinc/68/46/39/607684639.db2.gz HLJDSFOERIRJIC-UHFFFAOYSA-N -1 3 370.344 2.081 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834109111 605817499 /nfs/dbraw/zinc/81/74/99/605817499.db2.gz RXOHQMBXKCVGDE-SJORKVTESA-N -1 3 363.414 2.483 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446861 606104831 /nfs/dbraw/zinc/10/48/31/606104831.db2.gz DTTBVHDULFYZOL-DQFYLXQCSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446861 606104832 /nfs/dbraw/zinc/10/48/32/606104832.db2.gz DTTBVHDULFYZOL-DQFYLXQCSA-N -1 3 364.431 2.267 20 5 FEBDHM COC[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821682547 606141056 /nfs/dbraw/zinc/14/10/56/606141056.db2.gz IMEJTBDFGSPNRI-AWEZNQCLSA-N -1 3 354.370 2.445 20 5 FEBDHM COC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821682547 606141057 /nfs/dbraw/zinc/14/10/57/606141057.db2.gz IMEJTBDFGSPNRI-AWEZNQCLSA-N -1 3 354.370 2.445 20 5 FEBDHM Cc1cc(F)cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000131793345 606923315 /nfs/dbraw/zinc/92/33/15/606923315.db2.gz JPUSNZXUQSDDFT-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc(F)cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000131793345 606923316 /nfs/dbraw/zinc/92/33/16/606923316.db2.gz JPUSNZXUQSDDFT-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM COc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821770136 606973588 /nfs/dbraw/zinc/97/35/88/606973588.db2.gz PVTWHEKVLRWUED-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821770136 606973590 /nfs/dbraw/zinc/97/35/90/606973590.db2.gz PVTWHEKVLRWUED-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM C[C@@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824706153 607849282 /nfs/dbraw/zinc/84/92/82/607849282.db2.gz HENXMEYTYWZIJN-GFCCVEGCSA-N -1 3 354.370 2.162 20 5 FEBDHM C[C@@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824706153 607849283 /nfs/dbraw/zinc/84/92/83/607849283.db2.gz HENXMEYTYWZIJN-GFCCVEGCSA-N -1 3 354.370 2.162 20 5 FEBDHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826292294 607863877 /nfs/dbraw/zinc/86/38/77/607863877.db2.gz OXYPGBTVJIWLLS-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826292294 607863878 /nfs/dbraw/zinc/86/38/78/607863878.db2.gz OXYPGBTVJIWLLS-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826184086 607942692 /nfs/dbraw/zinc/94/26/92/607942692.db2.gz KHLFCXJWPAGKEK-UHFFFAOYSA-N -1 3 366.381 2.342 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826498945 608052774 /nfs/dbraw/zinc/05/27/74/608052774.db2.gz PPBHDUYQZNLHJL-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826498945 608052775 /nfs/dbraw/zinc/05/27/75/608052775.db2.gz PPBHDUYQZNLHJL-INIZCTEOSA-N -1 3 370.344 2.492 20 5 FEBDHM O=C(CC[C@H]1CCOC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405823 608163667 /nfs/dbraw/zinc/16/36/67/608163667.db2.gz VIMUYXCNVIROFV-QMMMGPOBSA-N -1 3 366.765 2.184 20 5 FEBDHM O=C(CC[C@H]1CCOC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405823 608163669 /nfs/dbraw/zinc/16/36/69/608163669.db2.gz VIMUYXCNVIROFV-QMMMGPOBSA-N -1 3 366.765 2.184 20 5 FEBDHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000826098604 608237893 /nfs/dbraw/zinc/23/78/93/608237893.db2.gz JTEQZFPWSGCPCK-GFCCVEGCSA-N -1 3 374.401 2.191 20 5 FEBDHM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000826098604 608237895 /nfs/dbraw/zinc/23/78/95/608237895.db2.gz JTEQZFPWSGCPCK-GFCCVEGCSA-N -1 3 374.401 2.191 20 5 FEBDHM Cc1cc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826270428 609244858 /nfs/dbraw/zinc/24/48/58/609244858.db2.gz ZNMRMNSZEUVUSU-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826270428 609244860 /nfs/dbraw/zinc/24/48/60/609244860.db2.gz ZNMRMNSZEUVUSU-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577640229 671610640 /nfs/dbraw/zinc/61/06/40/671610640.db2.gz HBQBOWQCBQXVBZ-MWLCHTKSSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000134494148 672123531 /nfs/dbraw/zinc/12/35/31/672123531.db2.gz GXOPLYYCQGZDJP-AWEZNQCLSA-N -1 3 354.359 2.054 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC000159303651 672280153 /nfs/dbraw/zinc/28/01/53/672280153.db2.gz QTOIUTDRWYTBIY-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000591715824 672704147 /nfs/dbraw/zinc/70/41/47/672704147.db2.gz YADKIPYNWFHANI-LBPRGKRZSA-N -1 3 370.408 2.239 20 5 FEBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593554419 672941738 /nfs/dbraw/zinc/94/17/38/672941738.db2.gz CQYVGPPZDTYAIH-LBPRGKRZSA-N -1 3 351.384 2.044 20 5 FEBDHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000598735707 673604824 /nfs/dbraw/zinc/60/48/24/673604824.db2.gz PUJJXAFAMCYVSC-LBPRGKRZSA-N -1 3 350.400 2.350 20 5 FEBDHM O=C(Nc1ncccc1[O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000543095119 673625021 /nfs/dbraw/zinc/62/50/21/673625021.db2.gz HMDCKAJYWCMOLO-SECBINFHSA-N -1 3 362.367 2.000 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnccc1-n1cccn1 ZINC000544741341 673729914 /nfs/dbraw/zinc/72/99/14/673729914.db2.gz VJTVYCFIANQOBZ-UHFFFAOYSA-N -1 3 359.367 2.117 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)o1 ZINC000546965682 673829443 /nfs/dbraw/zinc/82/94/43/673829443.db2.gz SXXLGGGYUTWPID-UHFFFAOYSA-N -1 3 364.339 2.121 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(F)F ZINC000830074783 677023891 /nfs/dbraw/zinc/02/38/91/677023891.db2.gz XFRMHNPTBLPNBQ-QMMMGPOBSA-N -1 3 367.330 2.442 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206608 680835391 /nfs/dbraw/zinc/83/53/91/680835391.db2.gz BYAXDBFBVAEXDS-JOYOIKCWSA-N -1 3 359.835 2.009 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2csc([N+](=O)[O-])c2)ccc1F ZINC000752579157 680249428 /nfs/dbraw/zinc/24/94/28/680249428.db2.gz INJRDYRMPBPGET-UHFFFAOYSA-N -1 3 374.371 2.061 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000845923960 681162752 /nfs/dbraw/zinc/16/27/52/681162752.db2.gz YZTSZCYVWNLDHE-CVEARBPZSA-N -1 3 365.411 2.026 20 5 FEBDHM CC(C)n1cnnc1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583961 681583351 /nfs/dbraw/zinc/58/33/51/681583351.db2.gz JYMCNMRWDRCQCQ-UHFFFAOYSA-N -1 3 355.301 2.055 20 5 FEBDHM O=C([N-][C@H]1CCN(CC(F)F)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848593252 681586251 /nfs/dbraw/zinc/58/62/51/681586251.db2.gz CCSDQOWOGQJLPY-VIFPVBQESA-N -1 3 365.283 2.022 20 5 FEBDHM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000882588661 687404141 /nfs/dbraw/zinc/40/41/41/687404141.db2.gz OQTLAAOKZDBNPP-CZMCAQCFSA-N -1 3 368.333 2.317 20 5 FEBDHM 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374.781 2.173 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000155807640 545570906 /nfs/dbraw/zinc/57/09/06/545570906.db2.gz TYNUQLPYDJKAAQ-DFBGVHRSSA-N -1 3 352.412 2.139 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c[nH]c1=O ZINC000158299331 545846720 /nfs/dbraw/zinc/84/67/20/545846720.db2.gz ZYCKTJKPOUTWJF-UHFFFAOYSA-N -1 3 357.775 2.354 20 5 FEBDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OC ZINC000478160311 561161035 /nfs/dbraw/zinc/16/10/35/561161035.db2.gz ZQXHPEZSKRUYJG-BXKDBHETSA-N -1 3 358.416 2.078 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c1C ZINC000161029324 546093650 /nfs/dbraw/zinc/09/36/50/546093650.db2.gz MCSRDJFBVLUDGK-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)c(Br)c1 ZINC000480730677 561215456 /nfs/dbraw/zinc/21/54/56/561215456.db2.gz PWIHCWIWFGCVSH-SSDOTTSWSA-N -1 3 367.246 2.141 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c1C ZINC000480929269 561220430 /nfs/dbraw/zinc/22/04/30/561220430.db2.gz COHPSKJYNVEWLO-AWEZNQCLSA-N -1 3 362.407 2.494 20 5 FEBDHM COc1nnc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[n-]1 ZINC000183006818 547586815 /nfs/dbraw/zinc/58/68/15/547586815.db2.gz XIPAWGRNYIHZOQ-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM COc1nc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[n-]1 ZINC000183006818 547586816 /nfs/dbraw/zinc/58/68/16/547586816.db2.gz XIPAWGRNYIHZOQ-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM COc1n[n-]c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000183006818 547586820 /nfs/dbraw/zinc/58/68/20/547586820.db2.gz XIPAWGRNYIHZOQ-UHFFFAOYSA-N -1 3 356.136 2.045 20 5 FEBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485108111 561312795 /nfs/dbraw/zinc/31/27/95/561312795.db2.gz MWUZWTRGOMNBFO-UHFFFAOYSA-N -1 3 353.298 2.112 20 5 FEBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485108111 561312796 /nfs/dbraw/zinc/31/27/96/561312796.db2.gz MWUZWTRGOMNBFO-UHFFFAOYSA-N -1 3 353.298 2.112 20 5 FEBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485108111 561312797 /nfs/dbraw/zinc/31/27/97/561312797.db2.gz MWUZWTRGOMNBFO-UHFFFAOYSA-N -1 3 353.298 2.112 20 5 FEBDHM CC(C)NC(=O)Nc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485350841 561317265 /nfs/dbraw/zinc/31/72/65/561317265.db2.gz AOTHVMMFEWHLKA-UHFFFAOYSA-N -1 3 359.342 2.478 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000185966253 548066650 /nfs/dbraw/zinc/06/66/50/548066650.db2.gz ILSWQKMYIFPYMH-LBPRGKRZSA-N -1 3 373.394 2.215 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000486703379 561354854 /nfs/dbraw/zinc/35/48/54/561354854.db2.gz PMANAPQPXMUWCT-VIFPVBQESA-N -1 3 350.343 2.460 20 5 FEBDHM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195003180 548562525 /nfs/dbraw/zinc/56/25/25/548562525.db2.gz ATJTZVZLIOLZGM-NRFANRHFSA-N -1 3 374.400 2.202 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)c1 ZINC000195288376 548612944 /nfs/dbraw/zinc/61/29/44/548612944.db2.gz IUCCHNKAHHOPQH-UHFFFAOYSA-N -1 3 358.379 2.278 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1C ZINC000245532567 548940861 /nfs/dbraw/zinc/94/08/61/548940861.db2.gz HIWNKNHDUPJYAT-APHBMKBZSA-N -1 3 366.439 2.448 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000488291682 561387473 /nfs/dbraw/zinc/38/74/73/561387473.db2.gz IKYDWHSSGMICDO-UHFFFAOYSA-N -1 3 374.321 2.175 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246229776 549085007 /nfs/dbraw/zinc/08/50/07/549085007.db2.gz FUMNHCKVWFOHDK-NILFDRSVSA-N -1 3 352.412 2.221 20 5 FEBDHM COc1cccc(-c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n(C)n2)c1 ZINC000489926490 561422514 /nfs/dbraw/zinc/42/25/14/561422514.db2.gz QVMOZZNJDITCRM-UHFFFAOYSA-N -1 3 369.337 2.357 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000492138050 561449659 /nfs/dbraw/zinc/44/96/59/561449659.db2.gz YSNNVCZDKLAIGZ-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000491601353 561447090 /nfs/dbraw/zinc/44/70/90/561447090.db2.gz KWSONDQPKTZCRU-ZDUSSCGKSA-N -1 3 364.420 2.307 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1C ZINC000269541552 550205210 /nfs/dbraw/zinc/20/52/10/550205210.db2.gz VKRISKDNRDTNMM-UHFFFAOYSA-N -1 3 353.360 2.245 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493929232 561459625 /nfs/dbraw/zinc/45/96/25/561459625.db2.gz XOSDHZHIBLONGW-LURJTMIESA-N -1 3 360.285 2.219 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)C)C1 ZINC000271712910 550397074 /nfs/dbraw/zinc/39/70/74/550397074.db2.gz RVULHSQCDACDET-YPMHNXCESA-N -1 3 358.416 2.085 20 5 FEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000272424139 550446955 /nfs/dbraw/zinc/44/69/55/550446955.db2.gz FIXNPGQWKVYYHG-UHFFFAOYSA-N -1 3 372.834 2.430 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc1 ZINC000277459751 550673328 /nfs/dbraw/zinc/67/33/28/550673328.db2.gz BCQSJXIINKXYHM-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c(F)c1 ZINC000282486923 551236016 /nfs/dbraw/zinc/23/60/16/551236016.db2.gz XZNMAEQJRBCLIN-CQSZACIVSA-N -1 3 358.391 2.362 20 5 FEBDHM CCn1cnnc1[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000285699300 551797272 /nfs/dbraw/zinc/79/72/72/551797272.db2.gz HKDZQWNBYZSHRQ-UHFFFAOYSA-N -1 3 357.273 2.069 20 5 FEBDHM C[C@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)NC(=O)[N-]C1=O ZINC000286225342 551863270 /nfs/dbraw/zinc/86/32/70/551863270.db2.gz CIEKDOODYSITOD-BBATYDOGSA-N -1 3 369.381 2.100 20 5 FEBDHM C[C@@]1(C[C@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000286496229 551892727 /nfs/dbraw/zinc/89/27/27/551892727.db2.gz WCFAZTSKEGTZAX-XIKOKIGWSA-N -1 3 369.381 2.100 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)cc1C ZINC000287569197 552020184 /nfs/dbraw/zinc/02/01/84/552020184.db2.gz WTYPWWCTVOZBCX-UHFFFAOYSA-N -1 3 372.353 2.418 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000505121771 561666538 /nfs/dbraw/zinc/66/65/38/561666538.db2.gz YKMQIYSZLBKCSW-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000322023879 553767546 /nfs/dbraw/zinc/76/75/46/553767546.db2.gz GPJMRBDLMNFPQJ-MRVPVSSYSA-N -1 3 364.807 2.257 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](CO)C2)cc1C ZINC000326565847 553781768 /nfs/dbraw/zinc/78/17/68/553781768.db2.gz XJROETIAPGSCPP-UONOGXRCSA-N -1 3 356.444 2.289 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000327927423 553792115 /nfs/dbraw/zinc/79/21/15/553792115.db2.gz BRNPDFRPMDAHSB-NSHDSACASA-N -1 3 364.379 2.421 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000330421973 554119676 /nfs/dbraw/zinc/11/96/76/554119676.db2.gz QLFXJMAXPNXNGC-CQSZACIVSA-N -1 3 355.460 2.302 20 5 FEBDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000330486997 554127804 /nfs/dbraw/zinc/12/78/04/554127804.db2.gz FKGMFXDGLBXURT-MLGOLLRUSA-N -1 3 370.427 2.303 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502471 554275472 /nfs/dbraw/zinc/27/54/72/554275472.db2.gz LWDITHTWCIHCMV-JOYOIKCWSA-N -1 3 359.835 2.009 20 5 FEBDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332691603 554498026 /nfs/dbraw/zinc/49/80/26/554498026.db2.gz QQJAMNZJUPAFEW-NSHDSACASA-N -1 3 358.416 2.469 20 5 FEBDHM CCCC(CCC)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510565085 561839169 /nfs/dbraw/zinc/83/91/69/561839169.db2.gz NRXXPSJRSJSOFR-UHFFFAOYSA-N -1 3 371.459 2.206 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000510636089 561841581 /nfs/dbraw/zinc/84/15/81/561841581.db2.gz AMWPFTKDFNQMGG-NSHDSACASA-N -1 3 356.429 2.054 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)cc1C ZINC000511154875 561859649 /nfs/dbraw/zinc/85/96/49/561859649.db2.gz JSIYCIOZJLUHKY-CQSZACIVSA-N -1 3 356.444 2.431 20 5 FEBDHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C ZINC000512178684 561895126 /nfs/dbraw/zinc/89/51/26/561895126.db2.gz HKDLSQASEMNYSP-HNNXBMFYSA-N -1 3 372.443 2.381 20 5 FEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000365651577 555631950 /nfs/dbraw/zinc/63/19/50/555631950.db2.gz WSFOPZGKXRQVRU-OAHLLOKOSA-N -1 3 356.382 2.090 20 5 FEBDHM CCc1ccc([C@@H]2COCCN2C(=O)c2cc(C)[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000368537335 556339016 /nfs/dbraw/zinc/33/90/16/556339016.db2.gz HYMFUHWKMFXESM-ZDUSSCGKSA-N -1 3 361.354 2.373 20 5 FEBDHM CN1CCC(Oc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn2)CC1 ZINC000370374751 556854077 /nfs/dbraw/zinc/85/40/77/556854077.db2.gz ORVFXBAMZQKFQF-UHFFFAOYSA-N -1 3 372.381 2.421 20 5 FEBDHM Cn1ccnc1-c1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000371385897 557169436 /nfs/dbraw/zinc/16/94/36/557169436.db2.gz ZIRKZQHOJMPSMG-UHFFFAOYSA-N -1 3 372.406 2.474 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000371734556 557278359 /nfs/dbraw/zinc/27/83/59/557278359.db2.gz OEOVZVASELZDGL-NSHDSACASA-N -1 3 368.342 2.155 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccccc2CO)c1[N+](=O)[O-] ZINC000518277037 562107670 /nfs/dbraw/zinc/10/76/70/562107670.db2.gz PEGNSNOXPNBYMM-UHFFFAOYSA-N -1 3 350.396 2.182 20 5 FEBDHM CN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C(=O)[O-])C1 ZINC000520412268 562155799 /nfs/dbraw/zinc/15/57/99/562155799.db2.gz RHRBCNIBRZOPSF-GFCCVEGCSA-N -1 3 362.411 2.171 20 5 FEBDHM CN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H](C(=O)[O-])C1 ZINC000520412269 562155808 /nfs/dbraw/zinc/15/58/08/562155808.db2.gz RHRBCNIBRZOPSF-LBPRGKRZSA-N -1 3 362.411 2.171 20 5 FEBDHM O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000376626315 558199817 /nfs/dbraw/zinc/19/98/17/558199817.db2.gz JRHOBNJVOMHWET-HNNXBMFYSA-N -1 3 370.409 2.337 20 5 FEBDHM C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)N1CCOCC1 ZINC000522067581 562190744 /nfs/dbraw/zinc/19/07/44/562190744.db2.gz GCNDRBIQTQSARK-LBPRGKRZSA-N -1 3 372.381 2.341 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000391446786 558614204 /nfs/dbraw/zinc/61/42/04/558614204.db2.gz PJSMZWHTIAAVFR-UHFFFAOYSA-N -1 3 368.411 2.240 20 5 FEBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000410623228 558790089 /nfs/dbraw/zinc/79/00/89/558790089.db2.gz JJIQJEPKWAIFEU-UHFFFAOYSA-N -1 3 373.325 2.451 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000416411580 559311125 /nfs/dbraw/zinc/31/11/25/559311125.db2.gz KKBRJKHAEFFRPW-UHFFFAOYSA-N -1 3 370.305 2.002 20 5 FEBDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000416436284 559312622 /nfs/dbraw/zinc/31/26/22/559312622.db2.gz CELCMQVDFTZYRV-LBPRGKRZSA-N -1 3 364.427 2.210 20 5 FEBDHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416499346 559317910 /nfs/dbraw/zinc/31/79/10/559317910.db2.gz YIHOUOZLPSYYAB-MRVPVSSYSA-N -1 3 370.349 2.441 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)c([N+](=O)[O-])c1 ZINC000416544049 559320859 /nfs/dbraw/zinc/32/08/59/559320859.db2.gz DZSCHJXVQMGCQJ-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000416631928 559326370 /nfs/dbraw/zinc/32/63/70/559326370.db2.gz MFFXNXWMZMZABA-UHFFFAOYSA-N -1 3 354.413 2.111 20 5 FEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOCC1 ZINC000420760197 559502804 /nfs/dbraw/zinc/50/28/04/559502804.db2.gz JFDQFSXDZCHWMV-CYBMUJFWSA-N -1 3 372.443 2.074 20 5 FEBDHM C[C@]1(C[C@H]2CCCN2c2ccnc3c2cccc3[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000432166445 559853300 /nfs/dbraw/zinc/85/33/00/559853300.db2.gz XUXSTGOSJHSSGL-ADLMAVQZSA-N -1 3 369.381 2.100 20 5 FEBDHM C[C@@]1(C[C@@H]2CCCN2c2ccnc3c2cccc3[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000432166447 559853305 /nfs/dbraw/zinc/85/33/05/559853305.db2.gz XUXSTGOSJHSSGL-VOJFVSQTSA-N -1 3 369.381 2.100 20 5 FEBDHM Cc1cn2ccnc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c2n1 ZINC000432508703 559859991 /nfs/dbraw/zinc/85/99/91/559859991.db2.gz FIYFDVBPEBJQGA-UHFFFAOYSA-N -1 3 363.337 2.588 20 5 FEBDHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000433459480 559881989 /nfs/dbraw/zinc/88/19/89/559881989.db2.gz LUJLAXYKCWBOQO-UHFFFAOYSA-N -1 3 356.400 2.139 20 5 FEBDHM COC(=O)c1cc(NCCNC(=O)c2ccc([O-])cc2)cc(C)c1[N+](=O)[O-] ZINC000440727409 560017187 /nfs/dbraw/zinc/01/71/87/560017187.db2.gz RFCHZEOXPSVZLF-UHFFFAOYSA-N -1 3 373.365 2.237 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000441543907 560035524 /nfs/dbraw/zinc/03/55/24/560035524.db2.gz IOKIYTPWIWHTNA-UHFFFAOYSA-N -1 3 371.802 2.173 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000443934916 560096602 /nfs/dbraw/zinc/09/66/02/560096602.db2.gz KHHRYQISZLNXKY-UHFFFAOYSA-N -1 3 357.775 2.130 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(F)c1 ZINC000443979770 560098213 /nfs/dbraw/zinc/09/82/13/560098213.db2.gz BPPUOEZOCNUFTO-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc(OCCO)c1 ZINC000446717206 560150459 /nfs/dbraw/zinc/15/04/59/560150459.db2.gz AETDQMKXUAHFCC-UHFFFAOYSA-N -1 3 356.338 2.403 20 5 FEBDHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451695913 560322764 /nfs/dbraw/zinc/32/27/64/560322764.db2.gz OBUISLAWPURTQL-YPMHNXCESA-N -1 3 374.390 2.134 20 5 FEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451944101 560339754 /nfs/dbraw/zinc/33/97/54/560339754.db2.gz FXTIGQSRUVYTSC-OLZOCXBDSA-N -1 3 370.427 2.222 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)cc1C ZINC000451945210 560339898 /nfs/dbraw/zinc/33/98/98/560339898.db2.gz HXNCWXUHDLCGIK-RYUDHWBXSA-N -1 3 350.400 2.392 20 5 FEBDHM COc1cccnc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000452052202 560348213 /nfs/dbraw/zinc/34/82/13/560348213.db2.gz ZJXSGTVQJMPXAU-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM O=c1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[n-]1 ZINC000459386746 560683797 /nfs/dbraw/zinc/68/37/97/560683797.db2.gz YIUDZYRXXKYAOR-GFCCVEGCSA-N -1 3 356.386 2.049 20 5 FEBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])n1 ZINC000461117615 560761914 /nfs/dbraw/zinc/76/19/14/560761914.db2.gz XIPIYCMZYWZPLO-UHFFFAOYSA-N -1 3 368.268 2.168 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461798202 560784610 /nfs/dbraw/zinc/78/46/10/560784610.db2.gz VUARGYYECOFUPN-ZDUSSCGKSA-N -1 3 372.443 2.071 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C ZINC000461820838 560785027 /nfs/dbraw/zinc/78/50/27/560785027.db2.gz VASPELUKIGQBEO-QWRGUYRKSA-N -1 3 356.400 2.096 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1 ZINC000470266629 560977733 /nfs/dbraw/zinc/97/77/33/560977733.db2.gz KVUAVKZJEAYXJK-UHFFFAOYSA-N -1 3 363.330 2.320 20 5 FEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ncccc1[O-] ZINC000473635420 561054590 /nfs/dbraw/zinc/05/45/90/561054590.db2.gz ASVKINKIERHXMJ-UHFFFAOYSA-N -1 3 366.171 2.317 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000534406279 562533517 /nfs/dbraw/zinc/53/35/17/562533517.db2.gz QZRYWLSLMUKGST-HNNXBMFYSA-N -1 3 364.423 2.033 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000535143180 562551907 /nfs/dbraw/zinc/55/19/07/562551907.db2.gz OQAWQQJKQGBNDN-RULNZOCKSA-N -1 3 368.436 2.372 20 5 FEBDHM CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N(C)C ZINC000568515736 568045784 /nfs/dbraw/zinc/04/57/84/568045784.db2.gz CTCRBPWZUGUNMK-RYUDHWBXSA-N -1 3 359.835 2.071 20 5 FEBDHM Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568987220 568262846 /nfs/dbraw/zinc/26/28/46/568262846.db2.gz TXXNBJATUHBXDS-INIZCTEOSA-N -1 3 364.446 2.285 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000569979393 568445702 /nfs/dbraw/zinc/44/57/02/568445702.db2.gz SZLODRRKSAUJEO-UHFFFAOYSA-N -1 3 364.355 2.171 20 5 FEBDHM O=C([O-])c1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000584722805 568561560 /nfs/dbraw/zinc/56/15/60/568561560.db2.gz RFHYRYRKGGHHNA-MRXNPFEDSA-N -1 3 371.393 2.472 20 5 FEBDHM CSC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOCC1 ZINC000821948925 599053224 /nfs/dbraw/zinc/05/32/24/599053224.db2.gz DPWFZRGSQTYZII-UHFFFAOYSA-N -1 3 350.404 2.099 20 5 FEBDHM CSC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOCC1 ZINC000821948925 599053227 /nfs/dbraw/zinc/05/32/27/599053227.db2.gz DPWFZRGSQTYZII-UHFFFAOYSA-N -1 3 350.404 2.099 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000823645481 599090991 /nfs/dbraw/zinc/09/09/91/599090991.db2.gz QZTXGESLKGVDOB-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000823645481 599090993 /nfs/dbraw/zinc/09/09/93/599090993.db2.gz QZTXGESLKGVDOB-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM Cc1c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cccc1[N+](=O)[O-] ZINC000822020765 599171463 /nfs/dbraw/zinc/17/14/63/599171463.db2.gz IKEDHOFFHAOIBT-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cccc1[N+](=O)[O-] ZINC000822020765 599171465 /nfs/dbraw/zinc/17/14/65/599171465.db2.gz IKEDHOFFHAOIBT-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822067933 607267315 /nfs/dbraw/zinc/26/73/15/607267315.db2.gz LLIKFVRSAKRAKN-UHFFFAOYSA-N -1 3 368.353 2.491 20 5 FEBDHM Cc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822067933 607267316 /nfs/dbraw/zinc/26/73/16/607267316.db2.gz LLIKFVRSAKRAKN-UHFFFAOYSA-N -1 3 368.353 2.491 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000823651470 599275482 /nfs/dbraw/zinc/27/54/82/599275482.db2.gz KYQDUVXJOBHUQI-UHFFFAOYSA-N -1 3 355.314 2.075 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000823651470 599275484 /nfs/dbraw/zinc/27/54/84/599275484.db2.gz KYQDUVXJOBHUQI-UHFFFAOYSA-N -1 3 355.314 2.075 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737284071 598279162 /nfs/dbraw/zinc/27/91/62/598279162.db2.gz YKQHZIXQBJPBBF-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737284071 598279163 /nfs/dbraw/zinc/27/91/63/598279163.db2.gz YKQHZIXQBJPBBF-UHFFFAOYSA-N -1 3 356.317 2.499 20 5 FEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)cc2F)nc2ccccn21 ZINC000738359419 598310981 /nfs/dbraw/zinc/31/09/81/598310981.db2.gz RCXGABUWXRKCGN-UHFFFAOYSA-N -1 3 354.305 2.174 20 5 FEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nn[n-]n3)cc2F)nc2ccccn21 ZINC000738359419 598310983 /nfs/dbraw/zinc/31/09/83/598310983.db2.gz RCXGABUWXRKCGN-UHFFFAOYSA-N -1 3 354.305 2.174 20 5 FEBDHM COCc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC000737016180 598469329 /nfs/dbraw/zinc/46/93/29/598469329.db2.gz KIVRONLQWAYDNB-UHFFFAOYSA-N -1 3 359.321 2.068 20 5 FEBDHM COCc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC000737016180 598469333 /nfs/dbraw/zinc/46/93/33/598469333.db2.gz KIVRONLQWAYDNB-UHFFFAOYSA-N -1 3 359.321 2.068 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737062214 598570486 /nfs/dbraw/zinc/57/04/86/598570486.db2.gz JMJUXDCMQVJMDX-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737062214 598570487 /nfs/dbraw/zinc/57/04/87/598570487.db2.gz JMJUXDCMQVJMDX-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM COC(=O)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736949240 598644417 /nfs/dbraw/zinc/64/44/17/598644417.db2.gz POWQCBYIRKTNRW-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736949240 598644419 /nfs/dbraw/zinc/64/44/19/598644419.db2.gz POWQCBYIRKTNRW-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645945 599483652 /nfs/dbraw/zinc/48/36/52/599483652.db2.gz XIQZWQPBTSLUPG-KOLCDFICSA-N -1 3 355.358 2.039 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645945 599483653 /nfs/dbraw/zinc/48/36/53/599483653.db2.gz XIQZWQPBTSLUPG-KOLCDFICSA-N -1 3 355.358 2.039 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334039 599504610 /nfs/dbraw/zinc/50/46/10/599504610.db2.gz JJTOHOJGRYJESH-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334039 599504613 /nfs/dbraw/zinc/50/46/13/599504613.db2.gz JJTOHOJGRYJESH-NSHDSACASA-N -1 3 352.354 2.195 20 5 FEBDHM CC[C@H](C)[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859494 599552251 /nfs/dbraw/zinc/55/22/51/599552251.db2.gz FIBNHRCOTZGAJU-LKFCYVNXSA-N -1 3 357.374 2.142 20 5 FEBDHM CC[C@H](C)[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859494 599552253 /nfs/dbraw/zinc/55/22/53/599552253.db2.gz FIBNHRCOTZGAJU-LKFCYVNXSA-N -1 3 357.374 2.142 20 5 FEBDHM CO[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821677293 599687451 /nfs/dbraw/zinc/68/74/51/599687451.db2.gz SZAMSBAVMKZSAG-AWEZNQCLSA-N -1 3 357.374 2.406 20 5 FEBDHM CO[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821677293 599687452 /nfs/dbraw/zinc/68/74/52/599687452.db2.gz SZAMSBAVMKZSAG-AWEZNQCLSA-N -1 3 357.374 2.406 20 5 FEBDHM COCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826156070 607522875 /nfs/dbraw/zinc/52/28/75/607522875.db2.gz OHXWWMFLMKGURZ-UHFFFAOYSA-N -1 3 354.754 2.184 20 5 FEBDHM COCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826156070 607522877 /nfs/dbraw/zinc/52/28/77/607522877.db2.gz OHXWWMFLMKGURZ-UHFFFAOYSA-N -1 3 354.754 2.184 20 5 FEBDHM CN1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809810975 674511514 /nfs/dbraw/zinc/51/15/14/674511514.db2.gz UYHPUGASIKPUDJ-QMMMGPOBSA-N -1 3 368.242 2.274 20 5 FEBDHM COc1ccc([C@H](CCO)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821777078 606101446 /nfs/dbraw/zinc/10/14/46/606101446.db2.gz ACPKMNVBMSWNQA-HNNXBMFYSA-N -1 3 370.369 2.319 20 5 FEBDHM COc1ccc([C@H](CCO)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821777078 606101448 /nfs/dbraw/zinc/10/14/48/606101448.db2.gz ACPKMNVBMSWNQA-HNNXBMFYSA-N -1 3 370.369 2.319 20 5 FEBDHM COc1ccc(OCCN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821841185 606644889 /nfs/dbraw/zinc/64/48/89/606644889.db2.gz FOAJKEKLJJUQJG-UHFFFAOYSA-N -1 3 370.369 2.299 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1-c1nnn[n-]1 ZINC000823634805 606645194 /nfs/dbraw/zinc/64/51/94/606645194.db2.gz MJKCSLYBAPJBIA-MRXNPFEDSA-N -1 3 370.344 2.492 20 5 FEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000821690498 606703111 /nfs/dbraw/zinc/70/31/11/606703111.db2.gz NVZLVJRXJLOCHD-UHFFFAOYSA-N -1 3 369.385 2.131 20 5 FEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000821690498 606703112 /nfs/dbraw/zinc/70/31/12/606703112.db2.gz NVZLVJRXJLOCHD-UHFFFAOYSA-N -1 3 369.385 2.131 20 5 FEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000824669947 607850269 /nfs/dbraw/zinc/85/02/69/607850269.db2.gz IYCKVPCKBUPWJX-TVQRCGJNSA-N -1 3 353.342 2.147 20 5 FEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824669947 607850270 /nfs/dbraw/zinc/85/02/70/607850270.db2.gz IYCKVPCKBUPWJX-TVQRCGJNSA-N -1 3 353.342 2.147 20 5 FEBDHM CSC[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826227696 608163795 /nfs/dbraw/zinc/16/37/95/608163795.db2.gz WCJFDKQYFMMWRE-LURJTMIESA-N -1 3 356.795 2.366 20 5 FEBDHM CSC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826227696 608163796 /nfs/dbraw/zinc/16/37/96/608163796.db2.gz WCJFDKQYFMMWRE-LURJTMIESA-N -1 3 356.795 2.366 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826499005 608296495 /nfs/dbraw/zinc/29/64/95/608296495.db2.gz RMORXZIUWMQEPN-QWHCGFSZSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499005 608296497 /nfs/dbraw/zinc/29/64/97/608296497.db2.gz RMORXZIUWMQEPN-QWHCGFSZSA-N -1 3 358.402 2.418 20 5 FEBDHM CN1Cc2cc(Oc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc2C1=O ZINC000826044624 608553592 /nfs/dbraw/zinc/55/35/92/608553592.db2.gz IKQJMMKDFKTBHZ-UHFFFAOYSA-N -1 3 352.310 2.153 20 5 FEBDHM CN1Cc2cc(Oc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc2C1=O ZINC000826044624 608553594 /nfs/dbraw/zinc/55/35/94/608553594.db2.gz IKQJMMKDFKTBHZ-UHFFFAOYSA-N -1 3 352.310 2.153 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826497587 609168778 /nfs/dbraw/zinc/16/87/78/609168778.db2.gz MNRYWEOWLMFXEC-KRWDZBQOSA-N -1 3 370.344 2.012 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826497587 609168780 /nfs/dbraw/zinc/16/87/80/609168780.db2.gz MNRYWEOWLMFXEC-KRWDZBQOSA-N -1 3 370.344 2.012 20 5 FEBDHM C[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCOC1 ZINC000824784256 609283561 /nfs/dbraw/zinc/28/35/61/609283561.db2.gz QAMLZZHOKIKCQQ-AWEZNQCLSA-N -1 3 366.765 2.184 20 5 FEBDHM C[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCOC1 ZINC000824784256 609283562 /nfs/dbraw/zinc/28/35/62/609283562.db2.gz QAMLZZHOKIKCQQ-AWEZNQCLSA-N -1 3 366.765 2.184 20 5 FEBDHM COc1cc(COC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826180161 609459039 /nfs/dbraw/zinc/45/90/39/609459039.db2.gz VBISEMBTNNDFPQ-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(COC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826180161 609459042 /nfs/dbraw/zinc/45/90/42/609459042.db2.gz VBISEMBTNNDFPQ-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000826174355 609499812 /nfs/dbraw/zinc/49/98/12/609499812.db2.gz SVBPIHONASBPPH-UHFFFAOYSA-N -1 3 365.353 2.490 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000826174355 609499813 /nfs/dbraw/zinc/49/98/13/609499813.db2.gz SVBPIHONASBPPH-UHFFFAOYSA-N -1 3 365.353 2.490 20 5 FEBDHM CCn1cnnc1[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000560754124 674614252 /nfs/dbraw/zinc/61/42/52/674614252.db2.gz IVXJYPPXXAOJNX-UHFFFAOYSA-N -1 3 359.264 2.400 20 5 FEBDHM COC(=O)c1cc(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])c[n-]1 ZINC000814532812 674862135 /nfs/dbraw/zinc/86/21/35/674862135.db2.gz DIUXQNUNIDPWAL-UHFFFAOYSA-N -1 3 352.274 2.214 20 5 FEBDHM COCc1nc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cs1 ZINC000571211319 670836133 /nfs/dbraw/zinc/83/61/33/670836133.db2.gz FLPWQCOONHSHTL-UHFFFAOYSA-N -1 3 371.440 2.293 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000126303886 672023073 /nfs/dbraw/zinc/02/30/73/672023073.db2.gz KEFUSHAQIRGDAK-ONGXEEELSA-N -1 3 359.835 2.152 20 5 FEBDHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[nH]c21 ZINC000130034881 672069150 /nfs/dbraw/zinc/06/91/50/672069150.db2.gz QVBXPXBBNTUTFA-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC000192740646 672700530 /nfs/dbraw/zinc/70/05/30/672700530.db2.gz CZQKWMBKVGYEHV-ZDUSSCGKSA-N -1 3 356.787 2.260 20 5 FEBDHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000592073762 672747965 /nfs/dbraw/zinc/74/79/65/672747965.db2.gz AADHDXVLELKUFC-ZDUSSCGKSA-N -1 3 372.443 2.035 20 5 FEBDHM Cn1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000612687260 676093554 /nfs/dbraw/zinc/09/35/54/676093554.db2.gz BDBRLNYLCRSLGU-UHFFFAOYSA-N -1 3 352.397 2.022 20 5 FEBDHM COc1ccnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000595347051 673229238 /nfs/dbraw/zinc/22/92/38/673229238.db2.gz JJEKVTMFHWXBIE-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595380726 673238287 /nfs/dbraw/zinc/23/82/87/673238287.db2.gz BLGKXDDSRNCKPN-ABAIWWIYSA-N -1 3 368.386 2.177 20 5 FEBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000596210668 673368357 /nfs/dbraw/zinc/36/83/57/673368357.db2.gz LVFAJLHFCSTQDS-VIFPVBQESA-N -1 3 357.288 2.376 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734896828 673475902 /nfs/dbraw/zinc/47/59/02/673475902.db2.gz BWGJXKQMFHIKES-UHFFFAOYSA-N -1 3 364.741 2.427 20 5 FEBDHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603673003 675800777 /nfs/dbraw/zinc/80/07/77/675800777.db2.gz GGGYMAYCCKEZDG-UHFFFAOYSA-N -1 3 358.232 2.284 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nccs1 ZINC000619485116 676380092 /nfs/dbraw/zinc/38/00/92/676380092.db2.gz KIVPQNVBWDBLJD-SECBINFHSA-N -1 3 357.413 2.490 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1)C(F)F ZINC000830074408 677023880 /nfs/dbraw/zinc/02/38/80/677023880.db2.gz NXISBBPSKHDYOW-MRVPVSSYSA-N -1 3 367.330 2.095 20 5 FEBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1[O-] ZINC000748124434 679933530 /nfs/dbraw/zinc/93/35/30/679933530.db2.gz DDJDHOSEWIFMDD-UHFFFAOYSA-N -1 3 356.132 2.116 20 5 FEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000779910047 681770063 /nfs/dbraw/zinc/77/00/63/681770063.db2.gz LCDQNKZHDKBZMB-SSDOTTSWSA-N -1 3 360.779 2.288 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000793964314 682921669 /nfs/dbraw/zinc/92/16/69/682921669.db2.gz QPAMTRRZRYBMLW-UHFFFAOYSA-N -1 3 354.269 2.225 20 5 FEBDHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000859322829 683083740 /nfs/dbraw/zinc/08/37/40/683083740.db2.gz JAKNHWMDVOZNBM-UHFFFAOYSA-N -1 3 367.330 2.097 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921860556 683597729 /nfs/dbraw/zinc/59/77/29/683597729.db2.gz MJCYDNDHNINVAG-CABZTGNLSA-N -1 3 368.333 2.149 20 5 FEBDHM Cc1c(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000007137032 539449310 /nfs/dbraw/zinc/44/93/10/539449310.db2.gz CWSAMHLYVSYIMC-UHFFFAOYSA-N -1 3 368.349 2.348 20 5 FEBDHM Cc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000022864164 539701818 /nfs/dbraw/zinc/70/18/18/539701818.db2.gz HEBGOXDCFCWLGC-UHFFFAOYSA-N -1 3 368.349 2.348 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000055214426 540635784 /nfs/dbraw/zinc/63/57/84/540635784.db2.gz UTEVKHUTSAVQMX-ZDUSSCGKSA-N -1 3 373.431 2.377 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c(F)c1 ZINC000055263519 540641827 /nfs/dbraw/zinc/64/18/27/540641827.db2.gz CQPIHDIRLFSNDA-NSHDSACASA-N -1 3 352.343 2.016 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000057925817 540824712 /nfs/dbraw/zinc/82/47/12/540824712.db2.gz WRDLJWQAZKLCTI-UHFFFAOYSA-N -1 3 358.416 2.231 20 5 FEBDHM O=C([N-]c1nc(CN2CCOCC2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000058855360 540857467 /nfs/dbraw/zinc/85/74/67/540857467.db2.gz GAPWMRHOABIZKV-UHFFFAOYSA-N -1 3 354.413 2.197 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)cc1C ZINC000060495905 541114538 /nfs/dbraw/zinc/11/45/38/541114538.db2.gz LLWKONLQNXEORG-UHFFFAOYSA-N -1 3 364.379 2.419 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Cn2cccn2)cc1C ZINC000060500228 541114884 /nfs/dbraw/zinc/11/48/84/541114884.db2.gz OSTNJKPSVNFZPX-NSHDSACASA-N -1 3 352.416 2.023 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000061429315 541130435 /nfs/dbraw/zinc/13/04/35/541130435.db2.gz UOSIARCDKSOSJP-UHFFFAOYSA-N -1 3 358.310 2.004 20 5 FEBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069125369 541661223 /nfs/dbraw/zinc/66/12/23/541661223.db2.gz BDEHBIHVGDGXCF-VIFPVBQESA-N -1 3 358.807 2.330 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000072728895 541859100 /nfs/dbraw/zinc/85/91/00/541859100.db2.gz WKZSMJCHLNXHGW-QWHCGFSZSA-N -1 3 350.400 2.254 20 5 FEBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] ZINC000091430917 542807094 /nfs/dbraw/zinc/80/70/94/542807094.db2.gz ANJBFVCTGMVVQF-CABCVRRESA-N -1 3 359.338 2.374 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCCN(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000101571979 543034557 /nfs/dbraw/zinc/03/45/57/543034557.db2.gz MYPYDQQUVMAQMV-UHFFFAOYSA-N -1 3 369.365 2.066 20 5 FEBDHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c([O-])c1 ZINC000109984152 543345411 /nfs/dbraw/zinc/34/54/11/543345411.db2.gz DAMRLLJHSVNASI-GFCCVEGCSA-N -1 3 359.338 2.445 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1c(C)noc1C ZINC000113947372 543499955 /nfs/dbraw/zinc/49/99/55/543499955.db2.gz NUTPPBABRRKODW-SECBINFHSA-N -1 3 355.372 2.248 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)c1C ZINC000121199722 543690975 /nfs/dbraw/zinc/69/09/75/543690975.db2.gz NWVMPALICGGVLZ-UHFFFAOYSA-N -1 3 370.456 2.213 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000123285156 543752947 /nfs/dbraw/zinc/75/29/47/543752947.db2.gz RXIQIYPBCUMJCQ-UHFFFAOYSA-N -1 3 369.468 2.375 20 5 FEBDHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000136130946 544367295 /nfs/dbraw/zinc/36/72/95/544367295.db2.gz QNROLKUGBDEKQY-UHFFFAOYSA-N -1 3 373.340 2.038 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)c2ccsc2)cc1C ZINC000182469613 327776873 /nfs/dbraw/zinc/77/68/73/327776873.db2.gz VCRYPZBLIMJJOF-CYBMUJFWSA-N -1 3 356.425 2.285 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000188343468 328081979 /nfs/dbraw/zinc/08/19/79/328081979.db2.gz RLKICSPBJUDPSM-WCBMZHEXSA-N -1 3 368.333 2.053 20 5 FEBDHM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000188426471 328086266 /nfs/dbraw/zinc/08/62/66/328086266.db2.gz HKZSDSPLMLWBLR-UHFFFAOYSA-N -1 3 370.409 2.432 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CN1CCC[C@H](C)C1 ZINC000189149800 328131597 /nfs/dbraw/zinc/13/15/97/328131597.db2.gz ZMMPRVTWZMFKJW-GXTWGEPZSA-N -1 3 355.460 2.302 20 5 FEBDHM C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000193691954 328389801 /nfs/dbraw/zinc/38/98/01/328389801.db2.gz FSMALCGSHACQAR-WFASDCNBSA-N -1 3 356.382 2.088 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1nc(C)c(C)s1 ZINC000152210830 326701842 /nfs/dbraw/zinc/70/18/42/326701842.db2.gz PQUZDVXBFSQJLU-UHFFFAOYSA-N -1 3 371.440 2.198 20 5 FEBDHM CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153673694 326739336 /nfs/dbraw/zinc/73/93/36/326739336.db2.gz KZEUUPPUDYKOMZ-UHFFFAOYSA-N -1 3 371.397 2.079 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000162653151 327030978 /nfs/dbraw/zinc/03/09/78/327030978.db2.gz SBDCUZGCCXCANT-UKRRQHHQSA-N -1 3 354.428 2.448 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000266280829 329207568 /nfs/dbraw/zinc/20/75/68/329207568.db2.gz JGKBWHQISDPSKF-QMMMGPOBSA-N -1 3 367.246 2.141 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)cc2)c([N+](=O)[O-])c1 ZINC000269765463 329546945 /nfs/dbraw/zinc/54/69/45/329546945.db2.gz FBZQJRGTKUCUHA-NSHDSACASA-N -1 3 366.395 2.135 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000270039865 329570206 /nfs/dbraw/zinc/57/02/06/329570206.db2.gz ZRDGQLVYWUWYRD-VIFPVBQESA-N -1 3 368.367 2.322 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1([C@@H](C)CCO)CCC1 ZINC000271747932 329721594 /nfs/dbraw/zinc/72/15/94/329721594.db2.gz BGBSKQRSNPBSTK-LBPRGKRZSA-N -1 3 372.443 2.071 20 5 FEBDHM COCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273590103 329877318 /nfs/dbraw/zinc/87/73/18/329877318.db2.gz ISGWRBSVGCOVAE-CYBMUJFWSA-N -1 3 354.384 2.385 20 5 FEBDHM Cc1[n-]c(=NC(=O)c2ccccc2[N+](=O)[O-])sc1SCC(N)=O ZINC000031797990 519462713 /nfs/dbraw/zinc/46/27/13/519462713.db2.gz IXPJJGRCXVHDTQ-UHFFFAOYSA-N -1 3 352.397 2.189 20 5 FEBDHM O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000477711903 561151666 /nfs/dbraw/zinc/15/16/66/561151666.db2.gz LHDHZYFHYHZEDS-UHFFFAOYSA-N -1 3 358.398 2.380 20 5 FEBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158789242 545895057 /nfs/dbraw/zinc/89/50/57/545895057.db2.gz CLIKCLRCQXAVEY-MRVPVSSYSA-N -1 3 357.363 2.421 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478774150 561174612 /nfs/dbraw/zinc/17/46/12/561174612.db2.gz RNXYTWZWHDUMNZ-HIFRSBDPSA-N -1 3 372.443 2.475 20 5 FEBDHM O=C([N-]c1nc(-c2ccc3c(c2)OCCO3)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000479093397 561181421 /nfs/dbraw/zinc/18/14/21/561181421.db2.gz DHBMXMCMLBMOJK-UHFFFAOYSA-N -1 3 373.350 2.465 20 5 FEBDHM Cc1nc(C)c(CCC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(=O)[n-]1 ZINC000176697931 546477690 /nfs/dbraw/zinc/47/76/90/546477690.db2.gz VYFPBRGCLAJAFL-UHFFFAOYSA-N -1 3 367.365 2.414 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000480728218 561215328 /nfs/dbraw/zinc/21/53/28/561215328.db2.gz GDJZWTJKMTUOEW-UHFFFAOYSA-N -1 3 353.444 2.142 20 5 FEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000480866585 561218828 /nfs/dbraw/zinc/21/88/28/561218828.db2.gz JXRHPVGBDRBWOT-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000481054420 561223982 /nfs/dbraw/zinc/22/39/82/561223982.db2.gz HANBFVWKMMLREI-AWEZNQCLSA-N -1 3 362.407 2.494 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)c1[N+](=O)[O-] ZINC000481073502 561224463 /nfs/dbraw/zinc/22/44/63/561224463.db2.gz PLADRXKHXYGYRT-LBPRGKRZSA-N -1 3 358.416 2.078 20 5 FEBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000481221908 561228210 /nfs/dbraw/zinc/22/82/10/561228210.db2.gz 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O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000482249667 561251315 /nfs/dbraw/zinc/25/13/15/561251315.db2.gz ZNADSFUGIYJHKQ-UHFFFAOYSA-N -1 3 370.291 2.236 20 5 FEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000482249667 561251316 /nfs/dbraw/zinc/25/13/16/561251316.db2.gz ZNADSFUGIYJHKQ-UHFFFAOYSA-N -1 3 370.291 2.236 20 5 FEBDHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484243600 561294463 /nfs/dbraw/zinc/29/44/63/561294463.db2.gz IKOGUCPPFULAGL-UHFFFAOYSA-N -1 3 358.232 2.284 20 5 FEBDHM COc1nnc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)[n-]1 ZINC000182983642 547583104 /nfs/dbraw/zinc/58/31/04/547583104.db2.gz MPMOQUBQXBOJTP-QWRGUYRKSA-N -1 3 374.401 2.456 20 5 FEBDHM COc1nc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[n-]1 ZINC000182983642 547583107 /nfs/dbraw/zinc/58/31/07/547583107.db2.gz MPMOQUBQXBOJTP-QWRGUYRKSA-N -1 3 374.401 2.456 20 5 FEBDHM 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ZINC000285618218 551783703 /nfs/dbraw/zinc/78/37/03/551783703.db2.gz NDTUFRGHROIEOP-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000288501731 552164551 /nfs/dbraw/zinc/16/45/51/552164551.db2.gz XGYFQJMETPRUGG-NSHDSACASA-N -1 3 364.379 2.058 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@H](O)c1ccccc1 ZINC000288528273 552169525 /nfs/dbraw/zinc/16/95/25/552169525.db2.gz ZNRAENKNJBDRIT-BZNIZROVSA-N -1 3 366.395 2.004 20 5 FEBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)nn1C ZINC000293734916 552851484 /nfs/dbraw/zinc/85/14/84/552851484.db2.gz QUKFVWAVZQPXDW-UHFFFAOYSA-N -1 3 354.164 2.355 20 5 FEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000295194107 552968830 /nfs/dbraw/zinc/96/88/30/552968830.db2.gz AWNPVPAXCFTZSH-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM C[C@@]1(C[C@H]2CCCN2c2nccc3cc([N+](=O)[O-])ccc32)NC(=O)[N-]C1=O ZINC000295644430 553038513 /nfs/dbraw/zinc/03/85/13/553038513.db2.gz FEPORPZHSVHUGG-ACJLOTCBSA-N -1 3 369.381 2.100 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](OC)c1ccccc1 ZINC000298489310 553431547 /nfs/dbraw/zinc/43/15/47/553431547.db2.gz INNYCOUTDYBHNW-HNNXBMFYSA-N -1 3 366.395 2.269 20 5 FEBDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000330491451 554128295 /nfs/dbraw/zinc/12/82/95/554128295.db2.gz NSGDCNQGNMZFGM-MLGOLLRUSA-N -1 3 370.427 2.303 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000330491450 554128330 /nfs/dbraw/zinc/12/83/30/554128330.db2.gz NSGDCNQGNMZFGM-LRDDRELGSA-N -1 3 370.427 2.303 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC(C)(C)OC1(C)C ZINC000330685897 554157314 /nfs/dbraw/zinc/15/73/14/554157314.db2.gz AIIACZJVFPJMGQ-ZDUSSCGKSA-N -1 3 358.416 2.228 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000330969813 554195805 /nfs/dbraw/zinc/19/58/05/554195805.db2.gz SWVPJYXMXDIYKU-MISXGVKJSA-N -1 3 370.427 2.484 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520017 554279136 /nfs/dbraw/zinc/27/91/36/554279136.db2.gz NUYCXRTVLFRSQM-RNCFNFMXSA-N -1 3 359.835 2.009 20 5 FEBDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CCC2 ZINC000331733332 554317857 /nfs/dbraw/zinc/31/78/57/554317857.db2.gz SEAQTSUFECBONU-CYBMUJFWSA-N -1 3 364.427 2.264 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F ZINC000512405554 561903575 /nfs/dbraw/zinc/90/35/75/561903575.db2.gz LQAOHGYLKGBFPR-UHFFFAOYSA-N -1 3 353.331 2.358 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(C(=O)OC)c(F)c2)n1 ZINC000512567181 561909250 /nfs/dbraw/zinc/90/92/50/561909250.db2.gz ZUQZHEOJNLVTMM-UHFFFAOYSA-N -1 3 354.269 2.128 20 5 FEBDHM CN1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365776819 555665591 /nfs/dbraw/zinc/66/55/91/555665591.db2.gz DGCAQHISYMWSSM-HIFRSBDPSA-N -1 3 360.345 2.010 20 5 FEBDHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000514600723 561969079 /nfs/dbraw/zinc/96/90/79/561969079.db2.gz TWADVLIPFNORRV-CMPLNLGQSA-N -1 3 358.416 2.159 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000515761334 562021377 /nfs/dbraw/zinc/02/13/77/562021377.db2.gz XWLMSDMEUZLHSK-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM O=C(NC1CCN(Cc2ccccc2F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369732644 556680669 /nfs/dbraw/zinc/68/06/69/556680669.db2.gz PVOJNTFXQKITDD-UHFFFAOYSA-N -1 3 374.372 2.229 20 5 FEBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCCN1C1CCCCC1 ZINC000516617688 562050756 /nfs/dbraw/zinc/05/07/56/562050756.db2.gz YDWUATRAYNHZDO-CQSZACIVSA-N -1 3 368.459 2.065 20 5 FEBDHM COC[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000519829947 562145721 /nfs/dbraw/zinc/14/57/21/562145721.db2.gz UTYRQHCIMRMCSC-QGZVFWFLSA-N -1 3 352.387 2.305 20 5 FEBDHM CN1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000373894482 557781786 /nfs/dbraw/zinc/78/17/86/557781786.db2.gz SCZFALOJINYKLY-YGRLFVJLSA-N -1 3 362.411 2.180 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000521937499 562186872 /nfs/dbraw/zinc/18/68/72/562186872.db2.gz KIFOJSVLCCKGHZ-GFCCVEGCSA-N -1 3 364.445 2.176 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416440335 559312950 /nfs/dbraw/zinc/31/29/50/559312950.db2.gz CWPCWWVFYSCLII-JTQLQIEISA-N -1 3 368.333 2.317 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)C ZINC000416510783 559318891 /nfs/dbraw/zinc/31/88/91/559318891.db2.gz YLAIOEIAABBPSL-SNVBAGLBSA-N -1 3 358.416 2.484 20 5 FEBDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000416522202 559319638 /nfs/dbraw/zinc/31/96/38/559319638.db2.gz ZRCIQUQWWGFPSL-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C12CCC2 ZINC000416570447 559322582 /nfs/dbraw/zinc/32/25/82/559322582.db2.gz ZWDDOWIQICZMHH-QWHCGFSZSA-N -1 3 354.428 2.448 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000416605204 559324650 /nfs/dbraw/zinc/32/46/50/559324650.db2.gz MCHXJXQXVMPCPV-MRVPVSSYSA-N -1 3 356.322 2.470 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@](C)(OC)C1CC1 ZINC000416607012 559324808 /nfs/dbraw/zinc/32/48/08/559324808.db2.gz YDUFQJUPBIJWPS-MEBBXXQBSA-N -1 3 358.416 2.085 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416630565 559326343 /nfs/dbraw/zinc/32/63/43/559326343.db2.gz UJTYNRYWZARFQS-ZWNOBZJWSA-N -1 3 350.824 2.322 20 5 FEBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccc([O-])c(F)c1 ZINC000420636474 559494689 /nfs/dbraw/zinc/49/46/89/559494689.db2.gz NPDXEDGHENYLJY-JTQLQIEISA-N -1 3 367.308 2.417 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427148868 559749068 /nfs/dbraw/zinc/74/90/68/559749068.db2.gz ANQFKMCXIORCOU-UHFFFAOYSA-N -1 3 368.733 2.165 20 5 FEBDHM COC(=O)c1cnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]1 ZINC000432664400 559862739 /nfs/dbraw/zinc/86/27/39/559862739.db2.gz NOCWYMMXQGYSPD-UHFFFAOYSA-N -1 3 361.339 2.447 20 5 FEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000435649642 559927376 /nfs/dbraw/zinc/92/73/76/559927376.db2.gz XYIDZZMKEGLDRO-UHFFFAOYSA-N -1 3 351.384 2.039 20 5 FEBDHM COC(=O)c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000436800211 559952413 /nfs/dbraw/zinc/95/24/13/559952413.db2.gz IXQLHLPMLHIPJI-UHFFFAOYSA-N -1 3 356.294 2.216 20 5 FEBDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443327394 560079936 /nfs/dbraw/zinc/07/99/36/560079936.db2.gz GIYXZZBHGSXWRU-VHSXEESVSA-N -1 3 350.824 2.324 20 5 FEBDHM CC(C)NC(=O)Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444862149 560122923 /nfs/dbraw/zinc/12/29/23/560122923.db2.gz VKOVYQCGGDWKGA-UHFFFAOYSA-N -1 3 359.342 2.478 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c([N+](=O)[O-])c1 ZINC000447854538 560171298 /nfs/dbraw/zinc/17/12/98/560171298.db2.gz MBQABRHCYVZRIY-UHFFFAOYSA-N -1 3 373.337 2.378 20 5 FEBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)OC ZINC000451680937 560321717 /nfs/dbraw/zinc/32/17/17/560321717.db2.gz MYALIOFMOAJFLH-TVQRCGJNSA-N -1 3 364.395 2.082 20 5 FEBDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451936566 560339091 /nfs/dbraw/zinc/33/90/91/560339091.db2.gz YGUPIBYSRFIYEO-GFCCVEGCSA-N -1 3 352.416 2.468 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000461401746 560770003 /nfs/dbraw/zinc/77/00/03/560770003.db2.gz URBHSWAZYTZEGY-UHFFFAOYSA-N -1 3 371.349 2.294 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCNc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000467075475 560902976 /nfs/dbraw/zinc/90/29/76/560902976.db2.gz PPOVMESWQRECDX-UHFFFAOYSA-N -1 3 356.429 2.059 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1O ZINC000467077382 560903112 /nfs/dbraw/zinc/90/31/12/560903112.db2.gz AKCJOOOQAUSQIW-UHFFFAOYSA-N -1 3 358.397 2.157 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000468956251 560943212 /nfs/dbraw/zinc/94/32/12/560943212.db2.gz NHPLDXURUMNDEJ-NSHDSACASA-N -1 3 364.379 2.421 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000469186013 560949318 /nfs/dbraw/zinc/94/93/18/560949318.db2.gz MEQSJAUBVUBDAG-MFKMUULPSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC(C)(C)C1 ZINC000469352435 560953078 /nfs/dbraw/zinc/95/30/78/560953078.db2.gz ZWTFGESDQYDMTD-JTQLQIEISA-N -1 3 356.400 2.238 20 5 FEBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000471132752 560999002 /nfs/dbraw/zinc/99/90/02/560999002.db2.gz GQMCJHCHLGYCTG-UHFFFAOYSA-N -1 3 356.314 2.466 20 5 FEBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000477191788 561139065 /nfs/dbraw/zinc/13/90/65/561139065.db2.gz LABORSQUPASVBV-UHFFFAOYSA-N -1 3 364.379 2.153 20 5 FEBDHM CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000530602886 562417347 /nfs/dbraw/zinc/41/73/47/562417347.db2.gz UIHPBVJJLFYQOL-CQSZACIVSA-N -1 3 364.789 2.382 20 5 FEBDHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000535532369 562560628 /nfs/dbraw/zinc/56/06/28/562560628.db2.gz HBSHVAHNJWMHRB-LLVKDONJSA-N -1 3 358.416 2.222 20 5 FEBDHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000537210721 562587751 /nfs/dbraw/zinc/58/77/51/562587751.db2.gz RBSNOOYHYWVJDS-UHFFFAOYSA-N -1 3 356.338 2.472 20 5 FEBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000546071449 562633341 /nfs/dbraw/zinc/63/33/41/562633341.db2.gz VGBXFZQBMPPPAM-SNVBAGLBSA-N -1 3 371.440 2.378 20 5 FEBDHM COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])cnc3N)s2)cc1 ZINC000546146353 562634299 /nfs/dbraw/zinc/63/42/99/562634299.db2.gz CYUPMIFYPQBLOD-UHFFFAOYSA-N -1 3 372.366 2.351 20 5 FEBDHM Cc1cc(N[C@H](C)CCN2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569224132 568315604 /nfs/dbraw/zinc/31/56/04/568315604.db2.gz BWOAPMSCWAKLBK-CYBMUJFWSA-N -1 3 350.419 2.039 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc(O[C@H]3CCOC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374505 598856920 /nfs/dbraw/zinc/85/69/20/598856920.db2.gz PORKUTSSAARYIC-ZDUSSCGKSA-N -1 3 369.341 2.081 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2ccc(O[C@H]3CCOC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374505 598856923 /nfs/dbraw/zinc/85/69/23/598856923.db2.gz PORKUTSSAARYIC-ZDUSSCGKSA-N -1 3 369.341 2.081 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000823651208 599049330 /nfs/dbraw/zinc/04/93/30/599049330.db2.gz IMGOTNGGCHPBPF-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM NC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000737760615 599064251 /nfs/dbraw/zinc/06/42/51/599064251.db2.gz PBGCPSJIUZEWOB-UHFFFAOYSA-N -1 3 374.357 2.305 20 5 FEBDHM NC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000737760615 599064254 /nfs/dbraw/zinc/06/42/54/599064254.db2.gz PBGCPSJIUZEWOB-UHFFFAOYSA-N -1 3 374.357 2.305 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCOC3CCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644007 599084233 /nfs/dbraw/zinc/08/42/33/599084233.db2.gz DRTHHGXDGHICKA-UHFFFAOYSA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCOC3CCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644007 599084235 /nfs/dbraw/zinc/08/42/35/599084235.db2.gz DRTHHGXDGHICKA-UHFFFAOYSA-N -1 3 355.358 2.304 20 5 FEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000738236295 599164185 /nfs/dbraw/zinc/16/41/85/599164185.db2.gz IPTBPAHUWQBGMZ-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000738236295 599164187 /nfs/dbraw/zinc/16/41/87/599164187.db2.gz IPTBPAHUWQBGMZ-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738369594 599169908 /nfs/dbraw/zinc/16/99/08/599169908.db2.gz JQQISUXBQJRKSV-CYBMUJFWSA-N -1 3 362.296 2.199 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738369594 599169909 /nfs/dbraw/zinc/16/99/09/599169909.db2.gz JQQISUXBQJRKSV-CYBMUJFWSA-N -1 3 362.296 2.199 20 5 FEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000738099686 598316735 /nfs/dbraw/zinc/31/67/35/598316735.db2.gz ITNUNPBKDXVNTQ-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000738099686 598316737 /nfs/dbraw/zinc/31/67/37/598316737.db2.gz ITNUNPBKDXVNTQ-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000738368065 598387276 /nfs/dbraw/zinc/38/72/76/598387276.db2.gz CQIGFYCDRFEOLV-UHFFFAOYSA-N -1 3 360.765 2.347 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000738368065 598387277 /nfs/dbraw/zinc/38/72/77/598387277.db2.gz CQIGFYCDRFEOLV-UHFFFAOYSA-N -1 3 360.765 2.347 20 5 FEBDHM Cc1cccc2nc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cn21 ZINC000737417754 598593586 /nfs/dbraw/zinc/59/35/86/598593586.db2.gz KZVNIQCIPCPJNP-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1cccc2nc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cn21 ZINC000737417754 598593588 /nfs/dbraw/zinc/59/35/88/598593588.db2.gz KZVNIQCIPCPJNP-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM COc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737073021 598702872 /nfs/dbraw/zinc/70/28/72/598702872.db2.gz YKBLHRPEOLDCJL-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737073021 598702873 /nfs/dbraw/zinc/70/28/73/598702873.db2.gz YKBLHRPEOLDCJL-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2CCOc1cccc(-c2nnn[n-]2)c1 ZINC000738366594 599326973 /nfs/dbraw/zinc/32/69/73/599326973.db2.gz FRHHSZFWBGRUKC-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC000738366594 599326975 /nfs/dbraw/zinc/32/69/75/599326975.db2.gz FRHHSZFWBGRUKC-UHFFFAOYSA-N -1 3 352.354 2.216 20 5 FEBDHM C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820334947 599544668 /nfs/dbraw/zinc/54/46/68/599544668.db2.gz RINMAOFKEFHVSL-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820334947 599544670 /nfs/dbraw/zinc/54/46/70/599544670.db2.gz RINMAOFKEFHVSL-LLVKDONJSA-N -1 3 352.354 2.195 20 5 FEBDHM CC1(C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820607274 599561477 /nfs/dbraw/zinc/56/14/77/599561477.db2.gz OSDWEYCWUROLSK-UHFFFAOYSA-N -1 3 369.385 2.328 20 5 FEBDHM CC1(C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820607274 599561480 /nfs/dbraw/zinc/56/14/80/599561480.db2.gz OSDWEYCWUROLSK-UHFFFAOYSA-N -1 3 369.385 2.328 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000821745247 607416611 /nfs/dbraw/zinc/41/66/11/607416611.db2.gz LSZQRAUGTXZHCR-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000821745247 607416613 /nfs/dbraw/zinc/41/66/13/607416613.db2.gz LSZQRAUGTXZHCR-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000821745510 607417237 /nfs/dbraw/zinc/41/72/37/607417237.db2.gz ZSXFVCGRHGYFBF-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000821745510 607417239 /nfs/dbraw/zinc/41/72/39/607417239.db2.gz ZSXFVCGRHGYFBF-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826176958 607433971 /nfs/dbraw/zinc/43/39/71/607433971.db2.gz LMLONVFRKHBAAW-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826176958 607433973 /nfs/dbraw/zinc/43/39/73/607433973.db2.gz LMLONVFRKHBAAW-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM CN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825818086 607437116 /nfs/dbraw/zinc/43/71/16/607437116.db2.gz VRYCGXOPUXKRMF-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM CN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825818086 607437118 /nfs/dbraw/zinc/43/71/18/607437118.db2.gz VRYCGXOPUXKRMF-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000826181548 607511833 /nfs/dbraw/zinc/51/18/33/607511833.db2.gz DDOVWSAALKCTCA-UHFFFAOYSA-N -1 3 354.370 2.416 20 5 FEBDHM O=C([O-])N1CCN(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000740526449 602649736 /nfs/dbraw/zinc/64/97/36/602649736.db2.gz FTSUVFOEHYDQHE-UHFFFAOYSA-N -1 3 374.397 2.240 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C ZINC000809821056 674512987 /nfs/dbraw/zinc/51/29/87/674512987.db2.gz HHFQCVBJYICEOP-RKDXNWHRSA-N -1 3 365.814 2.148 20 5 FEBDHM Cc1c(CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826235980 607660055 /nfs/dbraw/zinc/66/00/55/607660055.db2.gz VXRFRFRUKKPNHW-UHFFFAOYSA-N -1 3 366.381 2.284 20 5 FEBDHM Cc1c(CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235980 607660057 /nfs/dbraw/zinc/66/00/57/607660057.db2.gz VXRFRFRUKKPNHW-UHFFFAOYSA-N -1 3 366.381 2.284 20 5 FEBDHM C[C@@](CNC(=O)[O-])(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000824952074 604342205 /nfs/dbraw/zinc/34/22/05/604342205.db2.gz IWOIIOVTAXUFRV-HNNXBMFYSA-N -1 3 370.793 2.213 20 5 FEBDHM O=C([O-])N1CCC[C@H]1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834108874 605817319 /nfs/dbraw/zinc/81/73/19/605817319.db2.gz RXOHQMBXKCVGDE-DLBZAZTESA-N -1 3 363.414 2.483 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834104598 605817363 /nfs/dbraw/zinc/81/73/63/605817363.db2.gz DJNMEZUXCHBLMC-USXIJHARSA-N -1 3 363.414 2.483 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834106284 606028041 /nfs/dbraw/zinc/02/80/41/606028041.db2.gz IVVMNIHGTKJWNN-SJORKVTESA-N -1 3 363.414 2.483 20 5 FEBDHM CC(C)CN(CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087061 606187353 /nfs/dbraw/zinc/18/73/53/606187353.db2.gz KIACNGUXKYDIRB-UHFFFAOYSA-N -1 3 356.390 2.134 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@H]1c1ccccc1 ZINC000823630280 606476643 /nfs/dbraw/zinc/47/66/43/606476643.db2.gz VLHTXVSIUYYTQB-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@H]1c1ccccc1 ZINC000823630280 606476644 /nfs/dbraw/zinc/47/66/44/606476644.db2.gz VLHTXVSIUYYTQB-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM COc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000821824849 606564122 /nfs/dbraw/zinc/56/41/22/606564122.db2.gz OUHVMBZUNZROOM-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000821824849 606564123 /nfs/dbraw/zinc/56/41/23/606564123.db2.gz OUHVMBZUNZROOM-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569515 606673787 /nfs/dbraw/zinc/67/37/87/606673787.db2.gz MSFVGUDGJJZWHG-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569515 606673788 /nfs/dbraw/zinc/67/37/88/606673788.db2.gz MSFVGUDGJJZWHG-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822983088 606686070 /nfs/dbraw/zinc/68/60/70/606686070.db2.gz JNPKIFGOEOPNQI-UHFFFAOYSA-N -1 3 356.317 2.485 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822983088 606686071 /nfs/dbraw/zinc/68/60/71/606686071.db2.gz JNPKIFGOEOPNQI-UHFFFAOYSA-N -1 3 356.317 2.485 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)c1 ZINC000822271281 606721631 /nfs/dbraw/zinc/72/16/31/606721631.db2.gz UTJSXURPEGXQAQ-UHFFFAOYSA-N -1 3 357.399 2.290 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)c1 ZINC000822271281 606721633 /nfs/dbraw/zinc/72/16/33/606721633.db2.gz UTJSXURPEGXQAQ-UHFFFAOYSA-N -1 3 357.399 2.290 20 5 FEBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820121965 606801138 /nfs/dbraw/zinc/80/11/38/606801138.db2.gz WOQOYWFAQHTKCE-UHFFFAOYSA-N -1 3 367.369 2.221 20 5 FEBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820121965 606801140 /nfs/dbraw/zinc/80/11/40/606801140.db2.gz WOQOYWFAQHTKCE-UHFFFAOYSA-N -1 3 367.369 2.221 20 5 FEBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000821466416 606810705 /nfs/dbraw/zinc/81/07/05/606810705.db2.gz WMKKYHKNBSTWJE-UHFFFAOYSA-N -1 3 359.371 2.355 20 5 FEBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000821466416 606810707 /nfs/dbraw/zinc/81/07/07/606810707.db2.gz WMKKYHKNBSTWJE-UHFFFAOYSA-N -1 3 359.371 2.355 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821613568 606861449 /nfs/dbraw/zinc/86/14/49/606861449.db2.gz SHDSQNUICUSONQ-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821613568 606861451 /nfs/dbraw/zinc/86/14/51/606861451.db2.gz SHDSQNUICUSONQ-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820397538 606867211 /nfs/dbraw/zinc/86/72/11/606867211.db2.gz QBZJPEASTPXAHC-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820397538 606867213 /nfs/dbraw/zinc/86/72/13/606867213.db2.gz QBZJPEASTPXAHC-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM Cc1cc(F)cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203510 606925019 /nfs/dbraw/zinc/92/50/19/606925019.db2.gz XKYQYHIIWRXUNR-UHFFFAOYSA-N -1 3 370.344 2.495 20 5 FEBDHM Cc1cc(F)cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203510 606925020 /nfs/dbraw/zinc/92/50/20/606925020.db2.gz XKYQYHIIWRXUNR-UHFFFAOYSA-N -1 3 370.344 2.495 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821702888 606998321 /nfs/dbraw/zinc/99/83/21/606998321.db2.gz FRMIDDKGGPUIGF-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821702888 606998322 /nfs/dbraw/zinc/99/83/22/606998322.db2.gz FRMIDDKGGPUIGF-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821845265 607073784 /nfs/dbraw/zinc/07/37/84/607073784.db2.gz DVUKVTCFRBEVKW-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821845265 607073786 /nfs/dbraw/zinc/07/37/86/607073786.db2.gz DVUKVTCFRBEVKW-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826421784 607985561 /nfs/dbraw/zinc/98/55/61/607985561.db2.gz ZAOIITSRNAIGPV-UHFFFAOYSA-N -1 3 364.321 2.404 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826421784 607985562 /nfs/dbraw/zinc/98/55/62/607985562.db2.gz ZAOIITSRNAIGPV-UHFFFAOYSA-N -1 3 364.321 2.404 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825879133 608128535 /nfs/dbraw/zinc/12/85/35/608128535.db2.gz HRQVQMWXIMXMRR-UHFFFAOYSA-N -1 3 368.353 2.198 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825879133 608128536 /nfs/dbraw/zinc/12/85/36/608128536.db2.gz HRQVQMWXIMXMRR-UHFFFAOYSA-N -1 3 368.353 2.198 20 5 FEBDHM Cc1ccncc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826314781 608163634 /nfs/dbraw/zinc/16/36/34/608163634.db2.gz MJIUVJICEXCWBV-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ccncc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826314781 608163635 /nfs/dbraw/zinc/16/36/35/608163635.db2.gz MJIUVJICEXCWBV-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826263696 609183466 /nfs/dbraw/zinc/18/34/66/609183466.db2.gz MSIZEXFOKNDHLZ-OAHLLOKOSA-N -1 3 368.353 2.064 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826263696 609183468 /nfs/dbraw/zinc/18/34/68/609183468.db2.gz MSIZEXFOKNDHLZ-OAHLLOKOSA-N -1 3 368.353 2.064 20 5 FEBDHM CC(C)(C)Oc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000824124573 609430833 /nfs/dbraw/zinc/43/08/33/609430833.db2.gz VWTHQYBEGMXYDT-UHFFFAOYSA-N -1 3 370.373 2.354 20 5 FEBDHM CC(C)(C)Oc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000824124573 609430834 /nfs/dbraw/zinc/43/08/34/609430834.db2.gz VWTHQYBEGMXYDT-UHFFFAOYSA-N -1 3 370.373 2.354 20 5 FEBDHM Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000826299179 609607286 /nfs/dbraw/zinc/60/72/86/609607286.db2.gz USAGSAYVJMBYRG-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000826299179 609607288 /nfs/dbraw/zinc/60/72/88/609607288.db2.gz USAGSAYVJMBYRG-UHFFFAOYSA-N -1 3 365.397 2.410 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(CC2CC2)C1 ZINC000609387866 675921143 /nfs/dbraw/zinc/92/11/43/675921143.db2.gz LNBWRQZHGRCKDO-NSHDSACASA-N -1 3 359.835 2.011 20 5 FEBDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000578379387 671661072 /nfs/dbraw/zinc/66/10/72/671661072.db2.gz LPMHLMQVHKFNBK-UHFFFAOYSA-N -1 3 372.305 2.460 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000579293752 671725105 /nfs/dbraw/zinc/72/51/05/671725105.db2.gz UJUFREOSXKXBQD-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000579959763 671773404 /nfs/dbraw/zinc/77/34/04/671773404.db2.gz DYIJGIDVSAJEAB-SKDRFNHKSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)cs1 ZINC000120099400 671916861 /nfs/dbraw/zinc/91/68/61/671916861.db2.gz BIITYDGLNYFYLX-UHFFFAOYSA-N -1 3 368.318 2.376 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(F)c1 ZINC000123157780 671975946 /nfs/dbraw/zinc/97/59/46/671975946.db2.gz ZOWUTNIOJFJIIG-AWEZNQCLSA-N -1 3 354.359 2.136 20 5 FEBDHM CC(C)Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000125543471 672013086 /nfs/dbraw/zinc/01/30/86/672013086.db2.gz FXPOWGWRHMQZMU-UHFFFAOYSA-N -1 3 350.400 2.494 20 5 FEBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593535037 672936324 /nfs/dbraw/zinc/93/63/24/672936324.db2.gz SUCXRPUNIDDFDX-LBPRGKRZSA-N -1 3 351.384 2.044 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1OCCc2sccc21 ZINC000593598936 672954594 /nfs/dbraw/zinc/95/45/94/672954594.db2.gz YOZIOANUGSGLIO-OTYXRUKQSA-N -1 3 369.424 2.032 20 5 FEBDHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594788928 673142321 /nfs/dbraw/zinc/14/23/21/673142321.db2.gz ICDZCOBBNLQUEO-LLVKDONJSA-N -1 3 361.851 2.399 20 5 FEBDHM COC(=O)c1occc1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000594859678 673167709 /nfs/dbraw/zinc/16/77/09/673167709.db2.gz HPVLFVJDTZJURP-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000735532623 673496321 /nfs/dbraw/zinc/49/63/21/673496321.db2.gz FYMCQAORXBQAIL-UHFFFAOYSA-N -1 3 360.709 2.489 20 5 FEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598608969 673589674 /nfs/dbraw/zinc/58/96/74/673589674.db2.gz WSVYMDHNODMTFR-SECBINFHSA-N -1 3 356.429 2.411 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)s1 ZINC000599392555 673668711 /nfs/dbraw/zinc/66/87/11/673668711.db2.gz VOCIUEFMOBDPBL-GFCCVEGCSA-N -1 3 359.473 2.342 20 5 FEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000599511221 673686729 /nfs/dbraw/zinc/68/67/29/673686729.db2.gz GRPYEWYAIZNJGO-KYZUINATSA-N -1 3 354.306 2.069 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])s1 ZINC000601453281 673864714 /nfs/dbraw/zinc/86/47/14/673864714.db2.gz HVKVTMAIVMDYCQ-ZDUSSCGKSA-N -1 3 360.457 2.448 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)O1 ZINC000601498836 673870946 /nfs/dbraw/zinc/87/09/46/673870946.db2.gz GHDLLSJPWJCXMK-SOCHQFKDSA-N -1 3 368.333 2.458 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000746916212 673897337 /nfs/dbraw/zinc/89/73/37/673897337.db2.gz UNAWUTISOCZHGF-UHFFFAOYSA-N -1 3 368.342 2.462 20 5 FEBDHM CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604031550 675803027 /nfs/dbraw/zinc/80/30/27/675803027.db2.gz IZKASOVZBMKICI-UHFFFAOYSA-N -1 3 373.475 2.289 20 5 FEBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC000604126490 675803749 /nfs/dbraw/zinc/80/37/49/675803749.db2.gz CSTQCBDQVOVKKQ-UHFFFAOYSA-N -1 3 364.358 2.169 20 5 FEBDHM Cc1ccc2cccc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])c2n1 ZINC000759169568 680632682 /nfs/dbraw/zinc/63/26/82/680632682.db2.gz OKOXVHBLSTYQNY-UHFFFAOYSA-N -1 3 359.367 2.152 20 5 FEBDHM CCCCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000767811087 680927512 /nfs/dbraw/zinc/92/75/12/680927512.db2.gz LUONGKZKERKUAP-JTQLQIEISA-N -1 3 364.445 2.365 20 5 FEBDHM CC(C)(C)N1CC[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000843617052 681011326 /nfs/dbraw/zinc/01/13/26/681011326.db2.gz OAERJIFTFXOIPJ-GFCCVEGCSA-N -1 3 355.341 2.202 20 5 FEBDHM O=C([N-][C@H]1CCCc2c[nH]nc21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584576 681583261 /nfs/dbraw/zinc/58/32/61/681583261.db2.gz CASWRADXMQAZQM-LBPRGKRZSA-N -1 3 352.297 2.483 20 5 FEBDHM CC(C)c1nnc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000848589881 681584752 /nfs/dbraw/zinc/58/47/52/681584752.db2.gz HOXWEVDYAABCDS-UHFFFAOYSA-N -1 3 355.301 2.124 20 5 FEBDHM O=C(OCc1cc(=O)c([O-])co1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778890506 681660205 /nfs/dbraw/zinc/66/02/05/681660205.db2.gz IOYRAUVGPDXDIY-UHFFFAOYSA-N -1 3 357.221 2.212 20 5 FEBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000782272857 682023590 /nfs/dbraw/zinc/02/35/90/682023590.db2.gz XCTRQEFVDDRION-UHFFFAOYSA-N -1 3 368.342 2.462 20 5 FEBDHM O=C(O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000851178328 682030209 /nfs/dbraw/zinc/03/02/09/682030209.db2.gz KGRGDGOJJXNIEX-DDHJBXDOSA-N -1 3 358.272 2.059 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000028042000 539824402 /nfs/dbraw/zinc/82/44/02/539824402.db2.gz CAXIIGKGYXCBBU-UHFFFAOYSA-N -1 3 365.411 2.484 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccccc1C ZINC000032405969 539937516 /nfs/dbraw/zinc/93/75/16/539937516.db2.gz XUGIVKQCFBAUCH-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000045310020 540209671 /nfs/dbraw/zinc/20/96/71/540209671.db2.gz YZZRJWSERRBHMA-UHFFFAOYSA-N -1 3 366.337 2.253 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)N1CCC[C@H](C)C1 ZINC000046034339 540238631 /nfs/dbraw/zinc/23/86/31/540238631.db2.gz XWHZKFVXGYHFEB-JSGCOSHPSA-N -1 3 355.460 2.302 20 5 FEBDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000060509716 541115374 /nfs/dbraw/zinc/11/53/74/541115374.db2.gz RVRUOPVEQQUUDV-NSHDSACASA-N -1 3 354.359 2.480 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060498983 541114444 /nfs/dbraw/zinc/11/44/44/541114444.db2.gz VOORVVUUTNMFPB-UHFFFAOYSA-N -1 3 365.411 2.484 20 5 FEBDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066938469 541397960 /nfs/dbraw/zinc/39/79/60/541397960.db2.gz YXWHNXVIEOTMRX-UHFFFAOYSA-N -1 3 369.374 2.233 20 5 FEBDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000072074544 541782649 /nfs/dbraw/zinc/78/26/49/541782649.db2.gz IRHHKEVSLUSMKC-UHFFFAOYSA-N -1 3 363.395 2.074 20 5 FEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000107309992 543266322 /nfs/dbraw/zinc/26/63/22/543266322.db2.gz XDHQOWTVNYJVKW-UHFFFAOYSA-N -1 3 359.791 2.374 20 5 FEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000107310114 543266380 /nfs/dbraw/zinc/26/63/80/543266380.db2.gz SUAVWKROOOCJRJ-UHFFFAOYSA-N 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C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000123716968 543779301 /nfs/dbraw/zinc/77/93/01/543779301.db2.gz WJNQTBQDVFJWSW-NEPJUHHUSA-N -1 3 359.423 2.133 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000125867422 543906138 /nfs/dbraw/zinc/90/61/38/543906138.db2.gz TUXKESZVGYZXSG-GFCCVEGCSA-N -1 3 370.814 2.130 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000129201978 544097362 /nfs/dbraw/zinc/09/73/62/544097362.db2.gz ALKFZCBSXQMNNN-NQBHXWOUSA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1noc(C)c1S(=O)(=O)[N-]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000151688667 544569210 /nfs/dbraw/zinc/56/92/10/544569210.db2.gz YSNRMHFWSYIMAM-UHFFFAOYSA-N -1 3 368.415 2.289 20 5 FEBDHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000188382680 328083682 /nfs/dbraw/zinc/08/36/82/328083682.db2.gz CPYBYLKEZKYFSY-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CC2)c(C(F)(F)F)c1 ZINC000188945885 328119313 /nfs/dbraw/zinc/11/93/13/328119313.db2.gz FHWIVAACYQYVFU-UHFFFAOYSA-N -1 3 368.333 2.055 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000192505937 328322948 /nfs/dbraw/zinc/32/29/48/328322948.db2.gz QXPOWYHMTYAZFY-UHFFFAOYSA-N -1 3 368.849 2.157 20 5 FEBDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000119832266 326203108 /nfs/dbraw/zinc/20/31/08/326203108.db2.gz BXZFUYOWKCAYJI-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@H]1O ZINC000124826134 326460855 /nfs/dbraw/zinc/46/08/55/326460855.db2.gz MQVVXXPOVADEMB-ZIAGYGMSSA-N -1 3 362.835 2.468 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)cc1C ZINC000125424502 326471556 /nfs/dbraw/zinc/47/15/56/326471556.db2.gz KJLRYZFIQHJNMB-HNNXBMFYSA-N -1 3 364.423 2.266 20 5 FEBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000267623780 329344177 /nfs/dbraw/zinc/34/41/77/329344177.db2.gz 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C[C@@]1(C[C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000286496227 551892721 /nfs/dbraw/zinc/89/27/21/551892721.db2.gz WCFAZTSKEGTZAX-SGTLLEGYSA-N -1 3 369.381 2.100 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ncc[nH]1)C(C)C ZINC000289005724 552251273 /nfs/dbraw/zinc/25/12/73/552251273.db2.gz UIZUZKUDWKYWOO-ZDUSSCGKSA-N -1 3 354.388 2.002 20 5 FEBDHM CCN1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289614033 552349681 /nfs/dbraw/zinc/34/96/81/552349681.db2.gz XLRISSDUIBUAGQ-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(C)C)C1(CO)CCC1 ZINC000292298276 552713442 /nfs/dbraw/zinc/71/34/42/552713442.db2.gz MSXAFAOSCPOAKF-OAHLLOKOSA-N -1 3 372.443 2.069 20 5 FEBDHM CCOc1cc(C(=O)[N-]c2nnc(C)n2C2CC2)c([N+](=O)[O-])cc1OC ZINC000501871623 561607175 /nfs/dbraw/zinc/60/71/75/561607175.db2.gz GDMFGLOGNQPVSS-UHFFFAOYSA-N -1 3 361.358 2.489 20 5 FEBDHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000296009176 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COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436735215 559950483 /nfs/dbraw/zinc/95/04/83/559950483.db2.gz MAOAUBLNLQPPFB-HNNXBMFYSA-N -1 3 359.382 2.342 20 5 FEBDHM COC(=O)c1cccc2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000438347669 559977600 /nfs/dbraw/zinc/97/76/00/559977600.db2.gz HHASOEBTICENHW-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM COC(=O)c1cccc2[n-]c(NC(=O)COc3cccc([N+](=O)[O-])c3)nc21 ZINC000438347669 559977601 /nfs/dbraw/zinc/97/76/01/559977601.db2.gz HHASOEBTICENHW-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000439890750 560001612 /nfs/dbraw/zinc/00/16/12/560001612.db2.gz BJFUVLRFAUTOOC-UHFFFAOYSA-N -1 3 374.279 2.452 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000439890750 560001613 /nfs/dbraw/zinc/00/16/13/560001613.db2.gz BJFUVLRFAUTOOC-UHFFFAOYSA-N -1 3 374.279 2.452 20 5 FEBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000439890750 560001614 /nfs/dbraw/zinc/00/16/14/560001614.db2.gz BJFUVLRFAUTOOC-UHFFFAOYSA-N -1 3 374.279 2.452 20 5 FEBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443291932 560078199 /nfs/dbraw/zinc/07/81/99/560078199.db2.gz BVHRWNMJKZGTBD-GFCCVEGCSA-N -1 3 370.349 2.443 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000443310323 560079065 /nfs/dbraw/zinc/07/90/65/560079065.db2.gz UPVYXNRNTPQCHT-AWEZNQCLSA-N -1 3 372.443 2.213 20 5 FEBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cn2ccnc2s1 ZINC000443633863 560088946 /nfs/dbraw/zinc/08/89/46/560088946.db2.gz WZGNXTPSBVUYMR-UHFFFAOYSA-N -1 3 355.339 2.341 20 5 FEBDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445195002 560130501 /nfs/dbraw/zinc/13/05/01/560130501.db2.gz ZEXMMUYWWYVCAM-JTQLQIEISA-N -1 3 358.354 2.476 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000447845381 560170916 /nfs/dbraw/zinc/17/09/16/560170916.db2.gz RSDDJLPWWVRMRL-UHFFFAOYSA-N -1 3 359.310 2.070 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000451665407 560320675 /nfs/dbraw/zinc/32/06/75/560320675.db2.gz QMCCSOWUZCZFCY-HNNXBMFYSA-N -1 3 364.423 2.439 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)c1C ZINC000451853942 560332541 /nfs/dbraw/zinc/33/25/41/560332541.db2.gz MKHVSNIIUIFQOV-GDBMZVCRSA-N -1 3 368.455 2.287 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)cc1C ZINC000451859346 560332994 /nfs/dbraw/zinc/33/29/94/560332994.db2.gz SRSLNEGEHIZUIP-RHSMWYFYSA-N -1 3 368.455 2.287 20 5 FEBDHM C[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000455204884 560473836 /nfs/dbraw/zinc/47/38/36/560473836.db2.gz IKEOVBAZUUXJNG-QMMMGPOBSA-N -1 3 355.301 2.812 20 5 FEBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000461023437 560759776 /nfs/dbraw/zinc/75/97/76/560759776.db2.gz NBHMVQXZSGRIPZ-UHFFFAOYSA-N -1 3 364.383 2.230 20 5 FEBDHM Cn1c2cc([O-])c(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000461614590 560776834 /nfs/dbraw/zinc/77/68/34/560776834.db2.gz PWGQBIUJQKVZGE-UHFFFAOYSA-N -1 3 370.365 2.062 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000467055022 560902547 /nfs/dbraw/zinc/90/25/47/560902547.db2.gz ZIPQGHPIKZTSPE-UHFFFAOYSA-N -1 3 354.409 2.473 20 5 FEBDHM CO[C@H](CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000468927317 560942514 /nfs/dbraw/zinc/94/25/14/560942514.db2.gz KGOPRFVPZLEODU-SNVBAGLBSA-N -1 3 356.322 2.149 20 5 FEBDHM COc1ccc(CSCC(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000473644819 561054968 /nfs/dbraw/zinc/05/49/68/561054968.db2.gz VVMISQFXGCTCMM-UHFFFAOYSA-N -1 3 363.395 2.254 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2nn(C)c3ccccc23)c([N+](=O)[O-])c1 ZINC000476204679 561113151 /nfs/dbraw/zinc/11/31/51/561113151.db2.gz NSGGEXCSHBHGGP-UHFFFAOYSA-N -1 3 374.422 2.311 20 5 FEBDHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882982 562459909 /nfs/dbraw/zinc/45/99/09/562459909.db2.gz FWDKWQOPSXXDFZ-UHFFFAOYSA-N -1 3 355.759 2.299 20 5 FEBDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000534018117 562523603 /nfs/dbraw/zinc/52/36/03/562523603.db2.gz DNZNFQJZFCKQSI-UHFFFAOYSA-N -1 3 358.354 2.119 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000541340591 562609756 /nfs/dbraw/zinc/60/97/56/562609756.db2.gz MQCIABKRNDEEEV-UHFFFAOYSA-N -1 3 357.413 2.155 20 5 FEBDHM COC(=O)c1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc([N+](=O)[O-])c1 ZINC000569481031 568403082 /nfs/dbraw/zinc/40/30/82/568403082.db2.gz ZDMHQTMKYUXYTO-UHFFFAOYSA-N -1 3 357.282 2.012 20 5 FEBDHM COC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc([N+](=O)[O-])c1 ZINC000569481031 568403083 /nfs/dbraw/zinc/40/30/83/568403083.db2.gz ZDMHQTMKYUXYTO-UHFFFAOYSA-N -1 3 357.282 2.012 20 5 FEBDHM CNC(=O)c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821635059 599057434 /nfs/dbraw/zinc/05/74/34/599057434.db2.gz JZVRPQSQICXJIG-UHFFFAOYSA-N -1 3 374.357 2.425 20 5 FEBDHM CNC(=O)c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821635059 599057437 /nfs/dbraw/zinc/05/74/37/599057437.db2.gz JZVRPQSQICXJIG-UHFFFAOYSA-N -1 3 374.357 2.425 20 5 FEBDHM C[S@@](=O)Cc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737173903 599062949 /nfs/dbraw/zinc/06/29/49/599062949.db2.gz QQFVGAPSINMAJC-RUZDIDTESA-N -1 3 358.383 2.397 20 5 FEBDHM C[S@@](=O)Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737173903 599062952 /nfs/dbraw/zinc/06/29/52/599062952.db2.gz QQFVGAPSINMAJC-RUZDIDTESA-N -1 3 358.383 2.397 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCCn3cccn3)cc(-c3nnn[n-]3)c2c1 ZINC000738367633 599271557 /nfs/dbraw/zinc/27/15/57/599271557.db2.gz WTCSSSXWCQXFGV-UHFFFAOYSA-N -1 3 365.357 2.022 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCCCn3cccn3)cc(-c3nn[n-]n3)c2c1 ZINC000738367633 599271559 /nfs/dbraw/zinc/27/15/59/599271559.db2.gz WTCSSSXWCQXFGV-UHFFFAOYSA-N -1 3 365.357 2.022 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000738370915 598235067 /nfs/dbraw/zinc/23/50/67/598235067.db2.gz SJWQHJBJFDHOMY-UHFFFAOYSA-N -1 3 369.360 2.241 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000738368018 598593126 /nfs/dbraw/zinc/59/31/26/598593126.db2.gz YQWREKDFYXQWAC-UHFFFAOYSA-N -1 3 367.369 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc(OCCNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000738368018 598593128 /nfs/dbraw/zinc/59/31/28/598593128.db2.gz YQWREKDFYXQWAC-UHFFFAOYSA-N -1 3 367.369 2.150 20 5 FEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000736140352 598679208 /nfs/dbraw/zinc/67/92/08/598679208.db2.gz ULUGTSWPGLOSHU-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000736140352 598679209 /nfs/dbraw/zinc/67/92/09/598679209.db2.gz ULUGTSWPGLOSHU-BJOHPYRUSA-N -1 3 358.333 2.448 20 5 FEBDHM CC(C)(C)OC(=O)NCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735636591 598755553 /nfs/dbraw/zinc/75/55/53/598755553.db2.gz ZVZBWCNOOVPWRX-UHFFFAOYSA-N -1 3 363.378 2.102 20 5 FEBDHM CC(C)(C)OC(=O)NCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735636591 598755555 /nfs/dbraw/zinc/75/55/55/598755555.db2.gz ZVZBWCNOOVPWRX-UHFFFAOYSA-N -1 3 363.378 2.102 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820455730 599353588 /nfs/dbraw/zinc/35/35/88/599353588.db2.gz MQKDJKLFZREEEA-MRVPVSSYSA-N -1 3 352.314 2.484 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820455730 599353590 /nfs/dbraw/zinc/35/35/90/599353590.db2.gz MQKDJKLFZREEEA-MRVPVSSYSA-N -1 3 352.314 2.484 20 5 FEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000737986522 599365199 /nfs/dbraw/zinc/36/51/99/599365199.db2.gz KXWXKMYSACWJSM-UHFFFAOYSA-N -1 3 363.337 2.368 20 5 FEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000737986522 599365201 /nfs/dbraw/zinc/36/52/01/599365201.db2.gz KXWXKMYSACWJSM-UHFFFAOYSA-N -1 3 363.337 2.368 20 5 FEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000823238300 599555552 /nfs/dbraw/zinc/55/55/52/599555552.db2.gz MDBBXOLNCLYNII-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000823238300 599555554 /nfs/dbraw/zinc/55/55/54/599555554.db2.gz MDBBXOLNCLYNII-UHFFFAOYSA-N -1 3 357.305 2.236 20 5 FEBDHM CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000584116292 601545289 /nfs/dbraw/zinc/54/52/89/601545289.db2.gz RLBIUDPKQIMNIB-ZDUSSCGKSA-N -1 3 350.419 2.039 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(CNC(=O)[O-])C(C)C ZINC000830137895 603563903 /nfs/dbraw/zinc/56/39/03/603563903.db2.gz HMVOQNZBIRLQCF-MRXNPFEDSA-N -1 3 352.391 2.114 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824296048 607704626 /nfs/dbraw/zinc/70/46/26/607704626.db2.gz DJPDNOYHOTZTMI-UHFFFAOYSA-N -1 3 355.358 2.154 20 5 FEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824296048 607704627 /nfs/dbraw/zinc/70/46/27/607704627.db2.gz DJPDNOYHOTZTMI-UHFFFAOYSA-N -1 3 355.358 2.154 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCS[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826501039 607728669 /nfs/dbraw/zinc/72/86/69/607728669.db2.gz XADXBLXAWJOHOD-AWEZNQCLSA-N -1 3 369.410 2.464 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCS[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826501039 607728672 /nfs/dbraw/zinc/72/86/72/607728672.db2.gz XADXBLXAWJOHOD-AWEZNQCLSA-N -1 3 369.410 2.464 20 5 FEBDHM O=[N+]([O-])c1cnn(CCSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000823651710 606047022 /nfs/dbraw/zinc/04/70/22/606047022.db2.gz ODPFJIKBAYPFRQ-UHFFFAOYSA-N -1 3 372.414 2.038 20 5 FEBDHM O=[N+]([O-])c1cnn(CCSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000823651710 606047027 /nfs/dbraw/zinc/04/70/27/606047027.db2.gz ODPFJIKBAYPFRQ-UHFFFAOYSA-N -1 3 372.414 2.038 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000820462617 606136485 /nfs/dbraw/zinc/13/64/85/606136485.db2.gz ZBAGZODMOWNDHF-SNVBAGLBSA-N -1 3 369.389 2.266 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000820462617 606136487 /nfs/dbraw/zinc/13/64/87/606136487.db2.gz ZBAGZODMOWNDHF-SNVBAGLBSA-N -1 3 369.389 2.266 20 5 FEBDHM Cc1nnc(NCc2cc([N+](=O)[O-])ccc2Cl)c(-c2nnn[n-]2)c1C ZINC000822514728 606801347 /nfs/dbraw/zinc/80/13/47/606801347.db2.gz GVUNCTPTJSGHAZ-UHFFFAOYSA-N -1 3 360.765 2.447 20 5 FEBDHM Cc1nnc(NCc2cc([N+](=O)[O-])ccc2Cl)c(-c2nn[n-]n2)c1C ZINC000822514728 606801348 /nfs/dbraw/zinc/80/13/48/606801348.db2.gz GVUNCTPTJSGHAZ-UHFFFAOYSA-N -1 3 360.765 2.447 20 5 FEBDHM CN(CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821603765 606807000 /nfs/dbraw/zinc/80/70/00/606807000.db2.gz NTGYLRKUBBICOH-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM CN(CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821603765 606807002 /nfs/dbraw/zinc/80/70/02/606807002.db2.gz NTGYLRKUBBICOH-UHFFFAOYSA-N -1 3 354.370 2.428 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823426926 607004560 /nfs/dbraw/zinc/00/45/60/607004560.db2.gz RAGAFKNHTCCNJD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823426926 607004561 /nfs/dbraw/zinc/00/45/61/607004561.db2.gz RAGAFKNHTCCNJD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000823512134 607035292 /nfs/dbraw/zinc/03/52/92/607035292.db2.gz LFPSUBWOYMXMRE-AWEZNQCLSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000823512134 607035294 /nfs/dbraw/zinc/03/52/94/607035294.db2.gz LFPSUBWOYMXMRE-AWEZNQCLSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000823512135 607035366 /nfs/dbraw/zinc/03/53/66/607035366.db2.gz LFPSUBWOYMXMRE-CQSZACIVSA-N -1 3 371.401 2.120 20 5 FEBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000823512135 607035367 /nfs/dbraw/zinc/03/53/67/607035367.db2.gz LFPSUBWOYMXMRE-CQSZACIVSA-N -1 3 371.401 2.120 20 5 FEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000821304928 607100987 /nfs/dbraw/zinc/10/09/87/607100987.db2.gz ULKMXTLPLHOLAI-UHFFFAOYSA-N -1 3 353.342 2.459 20 5 FEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000821304930 607101225 /nfs/dbraw/zinc/10/12/25/607101225.db2.gz UMPBLASUDKDOOO-UHFFFAOYSA-N -1 3 367.369 2.388 20 5 FEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823032152 607159221 /nfs/dbraw/zinc/15/92/21/607159221.db2.gz OTIXPRJXPIYANI-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823032152 607159222 /nfs/dbraw/zinc/15/92/22/607159222.db2.gz OTIXPRJXPIYANI-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822471442 607240926 /nfs/dbraw/zinc/24/09/26/607240926.db2.gz BYPHSBTVEOIMNZ-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822471442 607240927 /nfs/dbraw/zinc/24/09/27/607240927.db2.gz BYPHSBTVEOIMNZ-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824009909 607981574 /nfs/dbraw/zinc/98/15/74/607981574.db2.gz FFCAGOBZAPEYKI-OAHLLOKOSA-N -1 3 369.337 2.090 20 5 FEBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824009909 607981575 /nfs/dbraw/zinc/98/15/75/607981575.db2.gz FFCAGOBZAPEYKI-OAHLLOKOSA-N -1 3 369.337 2.090 20 5 FEBDHM CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000824783144 608162937 /nfs/dbraw/zinc/16/29/37/608162937.db2.gz DKQKARCPXCVNQX-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000824783144 608162939 /nfs/dbraw/zinc/16/29/39/608162939.db2.gz DKQKARCPXCVNQX-UHFFFAOYSA-N -1 3 366.765 2.184 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501008 608194920 /nfs/dbraw/zinc/19/49/20/608194920.db2.gz VJNIFKYDXGFSSI-UHFFFAOYSA-N -1 3 366.385 2.024 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826501008 608194921 /nfs/dbraw/zinc/19/49/21/608194921.db2.gz VJNIFKYDXGFSSI-UHFFFAOYSA-N -1 3 366.385 2.024 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000826500639 608232849 /nfs/dbraw/zinc/23/28/49/608232849.db2.gz GHFXWIPKFREEGP-UHFFFAOYSA-N -1 3 372.414 2.160 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2nc3c(s2)CCCC3)c(-c2nn[n-]n2)c1 ZINC000826500639 608232851 /nfs/dbraw/zinc/23/28/51/608232851.db2.gz GHFXWIPKFREEGP-UHFFFAOYSA-N -1 3 372.414 2.160 20 5 FEBDHM COc1ccc2c(c1)OC[C@@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000826213438 608440413 /nfs/dbraw/zinc/44/04/13/608440413.db2.gz WVDTVRGAHCADFV-LBPRGKRZSA-N -1 3 368.353 2.199 20 5 FEBDHM COc1ccc2c(c1)OC[C@@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000826213438 608440414 /nfs/dbraw/zinc/44/04/14/608440414.db2.gz WVDTVRGAHCADFV-LBPRGKRZSA-N -1 3 368.353 2.199 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826497588 609168688 /nfs/dbraw/zinc/16/86/88/609168688.db2.gz MNRYWEOWLMFXEC-QGZVFWFLSA-N -1 3 370.344 2.012 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826497588 609168689 /nfs/dbraw/zinc/16/86/89/609168689.db2.gz MNRYWEOWLMFXEC-QGZVFWFLSA-N -1 3 370.344 2.012 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826263914 609436271 /nfs/dbraw/zinc/43/62/71/609436271.db2.gz VTTZEVXRFUPGLR-UHFFFAOYSA-N -1 3 356.342 2.245 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826263914 609436273 /nfs/dbraw/zinc/43/62/73/609436273.db2.gz VTTZEVXRFUPGLR-UHFFFAOYSA-N -1 3 356.342 2.245 20 5 FEBDHM COc1ccc2c(c1)CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000826212194 609590523 /nfs/dbraw/zinc/59/05/23/609590523.db2.gz JPRXIZNKZLDCAN-LBPRGKRZSA-N -1 3 367.369 2.148 20 5 FEBDHM COc1ccc2c(c1)CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000826212194 609590525 /nfs/dbraw/zinc/59/05/25/609590525.db2.gz JPRXIZNKZLDCAN-LBPRGKRZSA-N -1 3 367.369 2.148 20 5 FEBDHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824715712 609631543 /nfs/dbraw/zinc/63/15/43/609631543.db2.gz UMUMPZMRJHKKQD-BONVTDFDSA-N -1 3 369.337 2.113 20 5 FEBDHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824715712 609631544 /nfs/dbraw/zinc/63/15/44/609631544.db2.gz UMUMPZMRJHKKQD-BONVTDFDSA-N -1 3 369.337 2.113 20 5 FEBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036179 674904981 /nfs/dbraw/zinc/90/49/81/674904981.db2.gz SBKGPCCBKJYNQF-VIFPVBQESA-N -1 3 367.830 2.396 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000098078773 670765279 /nfs/dbraw/zinc/76/52/79/670765279.db2.gz XGAPWHGNGPGCNS-UHFFFAOYSA-N -1 3 360.208 2.201 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000098078773 670765282 /nfs/dbraw/zinc/76/52/82/670765282.db2.gz XGAPWHGNGPGCNS-UHFFFAOYSA-N -1 3 360.208 2.201 20 5 FEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000098078773 670765286 /nfs/dbraw/zinc/76/52/86/670765286.db2.gz XGAPWHGNGPGCNS-UHFFFAOYSA-N -1 3 360.208 2.201 20 5 FEBDHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000101572035 670768997 /nfs/dbraw/zinc/76/89/97/670768997.db2.gz SXQKGPQANDSVQK-NSHDSACASA-N -1 3 361.851 2.258 20 5 FEBDHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000579737801 671757266 /nfs/dbraw/zinc/75/72/66/671757266.db2.gz KJOSLBAHEOJSNJ-ZETCQYMHSA-N -1 3 355.185 2.384 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000118953915 671889462 /nfs/dbraw/zinc/88/94/62/671889462.db2.gz FICHBOYPEHLERR-OAHLLOKOSA-N -1 3 370.814 2.434 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000585708026 672226388 /nfs/dbraw/zinc/22/63/88/672226388.db2.gz DGXMTQPYZPKYDB-JQWIXIFHSA-N -1 3 370.349 2.129 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)c(Cl)c1 ZINC000159108485 672277409 /nfs/dbraw/zinc/27/74/09/672277409.db2.gz XSVTYRIPIRZVOR-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c(F)cc1[N+](=O)[O-] ZINC000590588685 672592925 /nfs/dbraw/zinc/59/29/25/672592925.db2.gz MWSKRHUTDLTUOQ-LBPRGKRZSA-N -1 3 368.390 2.132 20 5 FEBDHM CN(CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593534187 672935811 /nfs/dbraw/zinc/93/58/11/672935811.db2.gz GXWJYTNSJWMMMX-UHFFFAOYSA-N -1 3 364.427 2.185 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c(F)c1 ZINC000594474754 673081059 /nfs/dbraw/zinc/08/10/59/673081059.db2.gz RYDXYVBNQQIYCW-DZGCQCFKSA-N -1 3 358.391 2.360 20 5 FEBDHM COCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000594476324 673082567 /nfs/dbraw/zinc/08/25/67/673082567.db2.gz LWDYZRAIXWLAPQ-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732223589 673359401 /nfs/dbraw/zinc/35/94/01/673359401.db2.gz IOSBTXGKIVFGEF-LBPRGKRZSA-N -1 3 361.851 2.401 20 5 FEBDHM COC(=O)c1cnc(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)s1 ZINC000599136800 673635834 /nfs/dbraw/zinc/63/58/34/673635834.db2.gz UEBSCJVLVXWYRJ-UHFFFAOYSA-N -1 3 364.383 2.323 20 5 FEBDHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599409415 673671321 /nfs/dbraw/zinc/67/13/21/673671321.db2.gz CJEQBOCOCSMGCJ-SNVBAGLBSA-N -1 3 350.824 2.324 20 5 FEBDHM COc1cnccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000566493136 675218977 /nfs/dbraw/zinc/21/89/77/675218977.db2.gz MFSVAFFGLGJCJL-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000819927242 675325082 /nfs/dbraw/zinc/32/50/82/675325082.db2.gz ZOOHIIQHVHKNHY-AYMMMOKOSA-N -1 3 361.217 2.434 20 5 FEBDHM CCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000751989533 680216322 /nfs/dbraw/zinc/21/63/22/680216322.db2.gz PNNBKZQTUIMTHY-LBPRGKRZSA-N -1 3 362.379 2.134 20 5 FEBDHM Cc1nc2ccc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])cc2s1 ZINC000793404290 682886760 /nfs/dbraw/zinc/88/67/60/682886760.db2.gz GHLCVPHWKUWCCA-UHFFFAOYSA-N -1 3 365.396 2.213 20 5 FEBDHM CCOC(=O)c1ncc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000793962553 682921264 /nfs/dbraw/zinc/92/12/64/682921264.db2.gz SATZDELVIBNNBP-UHFFFAOYSA-N -1 3 370.724 2.468 20 5 FEBDHM CCOC(=O)c1nc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c[n-]1 ZINC000793962553 682921267 /nfs/dbraw/zinc/92/12/67/682921267.db2.gz SATZDELVIBNNBP-UHFFFAOYSA-N -1 3 370.724 2.468 20 5 FEBDHM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]C(CF)CF ZINC000885416738 688069539 /nfs/dbraw/zinc/06/95/39/688069539.db2.gz LXJRLZPRKOVEPD-UHFFFAOYSA-N -1 3 373.175 2.252 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]12C[C@H]1COC21CCC1 ZINC000908115036 691616931 /nfs/dbraw/zinc/61/69/31/691616931.db2.gz SQCBQXMKJWQCKA-IINYFYTJSA-N -1 3 372.830 2.486 20 5 FEBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000008791197 539493040 /nfs/dbraw/zinc/49/30/40/539493040.db2.gz PYKZNGQRPKBVDX-UHFFFAOYSA-N -1 3 368.396 2.354 20 5 FEBDHM CC(C)NC(=O)C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000029979165 539871640 /nfs/dbraw/zinc/87/16/40/539871640.db2.gz FXJNAVGTZDTHMB-UHFFFAOYSA-N -1 3 350.253 2.458 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCCCO2 ZINC000066938225 541397178 /nfs/dbraw/zinc/39/71/78/541397178.db2.gz OPINTVFEFAPPHS-UHFFFAOYSA-N -1 3 364.379 2.235 20 5 FEBDHM Cc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1[O-] ZINC000122717500 543719584 /nfs/dbraw/zinc/71/95/84/543719584.db2.gz URUDOOYKEAHZBY-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000123976132 543794051 /nfs/dbraw/zinc/79/40/51/543794051.db2.gz ALNGBRSYUJHMTR-VIFPVBQESA-N -1 3 369.424 2.270 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1 ZINC000126006201 543912729 /nfs/dbraw/zinc/91/27/29/543912729.db2.gz DULKKXSUWFRDDU-ZDUSSCGKSA-N -1 3 370.814 2.130 20 5 FEBDHM COc1ccsc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1 ZINC000154169631 544872974 /nfs/dbraw/zinc/87/29/74/544872974.db2.gz RAHAJQTUEKQHNX-UHFFFAOYSA-N -1 3 357.413 2.055 20 5 FEBDHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000553547768 674269885 /nfs/dbraw/zinc/26/98/85/674269885.db2.gz LHCQQXXJURZTKN-AWEZNQCLSA-N -1 3 367.402 2.315 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000179864245 327662504 /nfs/dbraw/zinc/66/25/04/327662504.db2.gz YUDCQKHIQXKUSE-UHFFFAOYSA-N -1 3 371.393 2.385 20 5 FEBDHM CCn1cnnc1-c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188166899 328070799 /nfs/dbraw/zinc/07/07/99/328070799.db2.gz XMLJZKAJFGNWON-UHFFFAOYSA-N -1 3 354.326 2.226 20 5 FEBDHM C[C@@](O)(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000188851788 328114218 /nfs/dbraw/zinc/11/42/18/328114218.db2.gz NXMDSBFLKKVSRU-MRXNPFEDSA-N -1 3 350.396 2.171 20 5 FEBDHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189126346 328129745 /nfs/dbraw/zinc/12/97/45/328129745.db2.gz KLUHCQMWDDBFNO-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC000190079987 328186441 /nfs/dbraw/zinc/18/64/41/328186441.db2.gz FUAMYONELLDXHS-LSDHHAIUSA-N -1 3 362.407 2.148 20 5 FEBDHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000194624896 328433146 /nfs/dbraw/zinc/43/31/46/328433146.db2.gz NBQCUCSONJAJDQ-UHFFFAOYSA-N -1 3 373.394 2.426 20 5 FEBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000079911652 325109871 /nfs/dbraw/zinc/10/98/71/325109871.db2.gz QXUANKBNOSMAKJ-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1 ZINC000101579233 325473474 /nfs/dbraw/zinc/47/34/74/325473474.db2.gz 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c1C ZINC000151925376 326694694 /nfs/dbraw/zinc/69/46/94/326694694.db2.gz UAGMWGSYMLBVAN-JKSUJKDBSA-N -1 3 362.407 2.148 20 5 FEBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157896190 326878662 /nfs/dbraw/zinc/87/86/62/326878662.db2.gz UMKIXYXDSZWMFN-ZETCQYMHSA-N -1 3 369.262 2.387 20 5 FEBDHM COC(=O)CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000267681691 329349564 /nfs/dbraw/zinc/34/95/64/329349564.db2.gz QCTLIFIXLYRLSM-UHFFFAOYSA-N -1 3 364.807 2.178 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)cc2)c([N+](=O)[O-])c1 ZINC000269765455 329546999 /nfs/dbraw/zinc/54/69/99/329546999.db2.gz FBZQJRGTKUCUHA-LLVKDONJSA-N -1 3 366.395 2.135 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cnn(C)c2)c1 ZINC000272429166 329780529 /nfs/dbraw/zinc/78/05/29/329780529.db2.gz GIEGECDMFLLHTM-VIFPVBQESA-N -1 3 358.807 2.330 20 5 FEBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275503358 330056231 /nfs/dbraw/zinc/05/62/31/330056231.db2.gz ZWNKVOFSISQTTE-QMMMGPOBSA-N -1 3 352.409 2.162 20 5 FEBDHM C[C@H]1NCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836273 330276039 /nfs/dbraw/zinc/27/60/39/330276039.db2.gz ZEVOSKOWVVCTKQ-XCBNKYQSSA-N -1 3 368.242 2.320 20 5 FEBDHM Cc1cn(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)c(=O)[nH]1 ZINC000477810139 561153656 /nfs/dbraw/zinc/15/36/56/561153656.db2.gz DWVCPLUKXLQWCO-UHFFFAOYSA-N -1 3 355.310 2.147 20 5 FEBDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000175651213 546328222 /nfs/dbraw/zinc/32/82/22/546328222.db2.gz IHTROHWUZGHLKF-VQNPYFGKSA-N -1 3 374.484 2.261 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000480757432 561216123 /nfs/dbraw/zinc/21/61/23/561216123.db2.gz QXNARPJPEIXHDB-LBPRGKRZSA-N -1 3 358.416 2.302 20 5 FEBDHM C[C@](CO)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000480875123 561219058 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AZFMBOXTYGBKHE-UHFFFAOYSA-N -1 3 370.364 2.041 20 5 FEBDHM Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000262136337 549791572 /nfs/dbraw/zinc/79/15/72/549791572.db2.gz LLBYAHQVTZENBV-ZJNRKIDTSA-N -1 3 361.398 2.417 20 5 FEBDHM COCc1nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000268511922 550079477 /nfs/dbraw/zinc/07/94/77/550079477.db2.gz WUVVUGASEOSRFJ-UHFFFAOYSA-N -1 3 357.779 2.244 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@H](C)O)cc1 ZINC000269821266 550228111 /nfs/dbraw/zinc/22/81/11/550228111.db2.gz SIKHKZUHXDTRST-NSHDSACASA-N -1 3 366.395 2.135 20 5 FEBDHM COC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCSCC1 ZINC000272177423 550427309 /nfs/dbraw/zinc/42/73/09/550427309.db2.gz RTFXKUNWVHKLSF-UHFFFAOYSA-N -1 3 374.365 2.242 20 5 FEBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000272412118 550445690 /nfs/dbraw/zinc/44/56/90/550445690.db2.gz CMWYEXPDTKVBTC-QMMMGPOBSA-N -1 3 373.822 2.277 20 5 FEBDHM CCOC(CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])OCC ZINC000276763196 550593221 /nfs/dbraw/zinc/59/32/21/550593221.db2.gz GKSLMKSQVSNCKG-UHFFFAOYSA-N -1 3 360.432 2.279 20 5 FEBDHM CCOC(=O)c1nnc(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)[n-]1 ZINC000277766572 550711431 /nfs/dbraw/zinc/71/14/31/550711431.db2.gz MSCCWALQCMKSMI-UHFFFAOYSA-N -1 3 365.415 2.331 20 5 FEBDHM CCOC(=O)c1nc(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n[n-]1 ZINC000277766572 550711432 /nfs/dbraw/zinc/71/14/32/550711432.db2.gz MSCCWALQCMKSMI-UHFFFAOYSA-N -1 3 365.415 2.331 20 5 FEBDHM CCOC(=O)c1n[n-]c(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000277766572 550711434 /nfs/dbraw/zinc/71/14/34/550711434.db2.gz MSCCWALQCMKSMI-UHFFFAOYSA-N -1 3 365.415 2.331 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000495285606 561486084 /nfs/dbraw/zinc/48/60/84/561486084.db2.gz UROJWYZXSBIYQW-UHFFFAOYSA-N -1 3 373.350 2.433 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H](O)c1ccccc1 ZINC000288454311 552156161 /nfs/dbraw/zinc/15/61/61/552156161.db2.gz RRYWUQMDRXLYHF-BDJLRTHQSA-N -1 3 366.395 2.004 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@@H](O)c1ccccc1 ZINC000288528269 552169770 /nfs/dbraw/zinc/16/97/70/552169770.db2.gz ZNRAENKNJBDRIT-BDJLRTHQSA-N -1 3 366.395 2.004 20 5 FEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000289718238 552367309 /nfs/dbraw/zinc/36/73/09/552367309.db2.gz YXBDWGLDQRINLB-SECBINFHSA-N -1 3 356.322 2.317 20 5 FEBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000289747232 552372131 /nfs/dbraw/zinc/37/21/31/552372131.db2.gz YMJHTJCIUMAUIB-SFYZADRCSA-N -1 3 367.221 2.059 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000290204328 552442068 /nfs/dbraw/zinc/44/20/68/552442068.db2.gz NDXFUUXFEDDMEB-RHSMWYFYSA-N -1 3 362.407 2.039 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)cc1C ZINC000325328947 553775948 /nfs/dbraw/zinc/77/59/48/553775948.db2.gz FPKLHFALEHPYBK-NSHDSACASA-N -1 3 358.416 2.220 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cscc1C ZINC000326331992 553780125 /nfs/dbraw/zinc/78/01/25/553780125.db2.gz DUASDIZPMDJQTB-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000330435701 554121613 /nfs/dbraw/zinc/12/16/13/554121613.db2.gz MBENPWZAXNBBTQ-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000330952994 554193397 /nfs/dbraw/zinc/19/33/97/554193397.db2.gz LCNUEMGQSWWUJD-IJLUTSLNSA-N -1 3 370.427 2.484 20 5 FEBDHM COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000508765723 561772097 /nfs/dbraw/zinc/77/20/97/561772097.db2.gz SBMRQHPVQTWPAB-UHFFFAOYSA-N -1 3 351.290 2.112 20 5 FEBDHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331299031 554243695 /nfs/dbraw/zinc/24/36/95/554243695.db2.gz OHFAPFOCEBWNBT-NSHDSACASA-N -1 3 361.851 2.399 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000510636088 561841516 /nfs/dbraw/zinc/84/15/16/561841516.db2.gz AMWPFTKDFNQMGG-LLVKDONJSA-N -1 3 356.429 2.054 20 5 FEBDHM CCOc1ccc(C(=O)[N-]c2ncn(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000366744372 555923439 /nfs/dbraw/zinc/92/34/39/555923439.db2.gz YVEZJYOSFSWOKT-UHFFFAOYSA-N -1 3 354.326 2.222 20 5 FEBDHM Cn1cc(-c2nn(C)cc2C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC000368643243 556372013 /nfs/dbraw/zinc/37/20/13/556372013.db2.gz MGSGBEJPALCLQJ-UHFFFAOYSA-N -1 3 362.296 2.259 20 5 FEBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000532347412 562474751 /nfs/dbraw/zinc/47/47/51/562474751.db2.gz XNMMDMYIIXZRBJ-ZDUSSCGKSA-N -1 3 358.464 2.025 20 5 FEBDHM CCN1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000519614297 562137158 /nfs/dbraw/zinc/13/71/58/562137158.db2.gz YHWQDJPXHXZAOP-CYBMUJFWSA-N -1 3 364.446 2.287 20 5 FEBDHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000519623036 562137364 /nfs/dbraw/zinc/13/73/64/562137364.db2.gz QVUHXYBYUJVTKB-UHFFFAOYSA-N -1 3 354.116 2.416 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COc3cccc(F)c32)c1 ZINC000374658103 557912878 /nfs/dbraw/zinc/91/28/78/557912878.db2.gz BAJHABKQFGDYKH-CYBMUJFWSA-N -1 3 352.343 2.287 20 5 FEBDHM C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000521640051 562181060 /nfs/dbraw/zinc/18/10/60/562181060.db2.gz ADCVPPJHAFUVGJ-CYBMUJFWSA-N -1 3 361.423 2.324 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000378281452 558518650 /nfs/dbraw/zinc/51/86/50/558518650.db2.gz SLFZYLRIFKAWCL-UHFFFAOYSA-N -1 3 359.367 2.489 20 5 FEBDHM COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1C(C)C ZINC000412391177 559032666 /nfs/dbraw/zinc/03/26/66/559032666.db2.gz KPGRJYBNVGZNSB-UHFFFAOYSA-N -1 3 366.355 2.314 20 5 FEBDHM COC[C@](C)([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(F)(F)F ZINC000414455365 559164880 /nfs/dbraw/zinc/16/48/80/559164880.db2.gz POIDSYKPGMPHRP-LBPRGKRZSA-N -1 3 370.349 2.457 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1CCOCC1 ZINC000416373388 559308246 /nfs/dbraw/zinc/30/82/46/559308246.db2.gz QUZDJJVMZSHXIT-UHFFFAOYSA-N -1 3 354.306 2.071 20 5 FEBDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCc3ccc([N+](=O)[O-])cc3)cn21 ZINC000416376062 559308364 /nfs/dbraw/zinc/30/83/64/559308364.db2.gz XOCSKTKXHZAGAJ-GFCCVEGCSA-N -1 3 364.427 2.210 20 5 FEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000416458851 559314382 /nfs/dbraw/zinc/31/43/82/559314382.db2.gz RAXRCDKTJWRIBF-SECBINFHSA-N -1 3 356.429 2.411 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000416469692 559315510 /nfs/dbraw/zinc/31/55/10/559315510.db2.gz DRMVVJOCQWYZCD-UHFFFAOYSA-N -1 3 368.333 2.055 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000416492280 559317319 /nfs/dbraw/zinc/31/73/19/559317319.db2.gz CLBSUIQJVCVPGO-VXNVDRBHSA-N -1 3 356.322 2.051 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC000416493811 559317514 /nfs/dbraw/zinc/31/75/14/559317514.db2.gz GKWSKOFBUZQASQ-LLVKDONJSA-N -1 3 368.333 2.053 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCOC(C)(C)C1 ZINC000416502649 559318187 /nfs/dbraw/zinc/31/81/87/559318187.db2.gz MRXQSRPZQYRDCF-NSHDSACASA-N -1 3 358.416 2.087 20 5 FEBDHM CCc1ccccc1[C@@H](N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467473 559489113 /nfs/dbraw/zinc/48/91/13/559489113.db2.gz SPLLGKLJQKHKSV-LBPRGKRZSA-N -1 3 355.441 2.197 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425325535 559696810 /nfs/dbraw/zinc/69/68/10/559696810.db2.gz OPQNXEVLGRQYGN-WMLDXEAASA-N -1 3 368.393 2.042 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427143280 559748973 /nfs/dbraw/zinc/74/89/73/559748973.db2.gz HYUGJNPNQJIILK-SSDOTTSWSA-N -1 3 368.733 2.164 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC000428380657 559774289 /nfs/dbraw/zinc/77/42/89/559774289.db2.gz DIMGPMBZPQBVSB-CYBMUJFWSA-N -1 3 362.407 2.363 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428546130 559777916 /nfs/dbraw/zinc/77/79/16/559777916.db2.gz WOMULAXZUJASJZ-MRXNPFEDSA-N -1 3 357.366 2.119 20 5 FEBDHM CCc1nn(C)c(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000436747780 559950868 /nfs/dbraw/zinc/95/08/68/559950868.db2.gz CJSCIWVEALRJGQ-UHFFFAOYSA-N -1 3 373.413 2.313 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436833504 559953581 /nfs/dbraw/zinc/95/35/81/559953581.db2.gz MGUWUSFCBTYGPL-OAHLLOKOSA-N -1 3 357.366 2.119 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000443153071 560072947 /nfs/dbraw/zinc/07/29/47/560072947.db2.gz LFCOKAWKQLBLDR-UHFFFAOYSA-N -1 3 354.388 2.062 20 5 FEBDHM COc1ccsc1S(=O)(=O)[N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000443976599 560097947 /nfs/dbraw/zinc/09/79/47/560097947.db2.gz FJUWTLBECUDJQV-UHFFFAOYSA-N -1 3 368.396 2.020 20 5 FEBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c[n-]c2ccccc2c1=O ZINC000444639800 560117395 /nfs/dbraw/zinc/11/73/95/560117395.db2.gz QJKNIYUIHGOFNQ-UHFFFAOYSA-N -1 3 363.333 2.243 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000447033399 560155432 /nfs/dbraw/zinc/15/54/32/560155432.db2.gz HMNBTFOWLZYVIG-LBPRGKRZSA-N -1 3 368.333 2.319 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1=CCCCC1 ZINC000451633906 560318321 /nfs/dbraw/zinc/31/83/21/560318321.db2.gz QGIOYWHEEGBCCX-UHFFFAOYSA-N -1 3 354.384 2.160 20 5 FEBDHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451691441 560322336 /nfs/dbraw/zinc/32/23/36/560322336.db2.gz BZLKOBRQDSJAGR-OLZOCXBDSA-N -1 3 370.427 2.303 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nn(C)cc2Cl)c1[N+](=O)[O-] ZINC000451800844 560329389 /nfs/dbraw/zinc/32/93/89/560329389.db2.gz KBJUZYRUGSDDFL-UHFFFAOYSA-N -1 3 358.807 2.077 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1C ZINC000451817787 560330391 /nfs/dbraw/zinc/33/03/91/560330391.db2.gz UATXWMLDMDTFEN-UHFFFAOYSA-N -1 3 360.407 2.256 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451863318 560333118 /nfs/dbraw/zinc/33/31/18/560333118.db2.gz VZIDOIPOWZKKNJ-XJKSGUPXSA-N -1 3 358.460 2.471 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000461799329 560784575 /nfs/dbraw/zinc/78/45/75/560784575.db2.gz YJKKCSXBDZDCPN-LBPRGKRZSA-N -1 3 362.473 2.432 20 5 FEBDHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461853744 560785348 /nfs/dbraw/zinc/78/53/48/560785348.db2.gz OPLQMQRVXWEUGB-GHMZBOCLSA-N -1 3 356.400 2.081 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000466553702 560889736 /nfs/dbraw/zinc/88/97/36/560889736.db2.gz YBXGAABOIPNCTQ-CVEARBPZSA-N -1 3 354.428 2.387 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000467059669 560902588 /nfs/dbraw/zinc/90/25/88/560902588.db2.gz VFUYWUTWAMPRLR-SNVBAGLBSA-N -1 3 362.473 2.432 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467072781 560902843 /nfs/dbraw/zinc/90/28/43/560902843.db2.gz OSNMAQZVYDZBBT-UHFFFAOYSA-N -1 3 364.445 2.365 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473956480 561062207 /nfs/dbraw/zinc/06/22/07/561062207.db2.gz MLNHZNYVGSXLFU-MNOVXSKESA-N -1 3 361.489 2.363 20 5 FEBDHM CN(C)S(=O)(=O)c1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000477102501 561136675 /nfs/dbraw/zinc/13/66/75/561136675.db2.gz RAJQHEYNOPCQCT-UHFFFAOYSA-N -1 3 369.374 2.302 20 5 FEBDHM COc1ccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1[N+](=O)[O-] ZINC000532191924 562470356 /nfs/dbraw/zinc/47/03/56/562470356.db2.gz JVNISUJRCBDPKN-UHFFFAOYSA-N -1 3 357.326 2.471 20 5 FEBDHM COc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1[N+](=O)[O-] ZINC000532191924 562470357 /nfs/dbraw/zinc/47/03/57/562470357.db2.gz JVNISUJRCBDPKN-UHFFFAOYSA-N -1 3 357.326 2.471 20 5 FEBDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1[N+](=O)[O-] ZINC000532191924 562470358 /nfs/dbraw/zinc/47/03/58/562470358.db2.gz JVNISUJRCBDPKN-UHFFFAOYSA-N -1 3 357.326 2.471 20 5 FEBDHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532398062 562476520 /nfs/dbraw/zinc/47/65/20/562476520.db2.gz CYEORFHFEUIBNZ-UHFFFAOYSA-N -1 3 355.759 2.299 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533006146 562495366 /nfs/dbraw/zinc/49/53/66/562495366.db2.gz UNNGCZRGFCQGDJ-UHFFFAOYSA-N -1 3 369.377 2.221 20 5 FEBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000535689873 562564318 /nfs/dbraw/zinc/56/43/18/562564318.db2.gz LWAJYNKPHJAPHW-QMMMGPOBSA-N -1 3 373.822 2.277 20 5 FEBDHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000545690622 562629973 /nfs/dbraw/zinc/62/99/73/562629973.db2.gz IPZMJYFNYJEBOT-UHFFFAOYSA-N -1 3 354.388 2.173 20 5 FEBDHM O=C([O-])CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(F)(F)F)cc1 ZINC000568402377 568030559 /nfs/dbraw/zinc/03/05/59/568030559.db2.gz DZLGCMKUNSDQTE-UHFFFAOYSA-N -1 3 372.303 2.397 20 5 FEBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000569047933 568285455 /nfs/dbraw/zinc/28/54/55/568285455.db2.gz OBHNVAGKSUNOCQ-JTQLQIEISA-N -1 3 360.395 2.156 20 5 FEBDHM COc1cc(C(=O)[N-]c2ccnnc2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000569505138 568404151 /nfs/dbraw/zinc/40/41/51/568404151.db2.gz AMEVRZJBUIIRLD-UHFFFAOYSA-N -1 3 370.268 2.256 20 5 FEBDHM C[S@](=O)Cc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737173908 599063273 /nfs/dbraw/zinc/06/32/73/599063273.db2.gz QQFVGAPSINMAJC-VWLOTQADSA-N -1 3 358.383 2.397 20 5 FEBDHM C[S@](=O)Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737173908 599063276 /nfs/dbraw/zinc/06/32/76/599063276.db2.gz QQFVGAPSINMAJC-VWLOTQADSA-N -1 3 358.383 2.397 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000738369834 599172621 /nfs/dbraw/zinc/17/26/21/599172621.db2.gz PTAORJIDOKPHSW-PRHODGIISA-N -1 3 359.296 2.416 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000738369834 599172624 /nfs/dbraw/zinc/17/26/24/599172624.db2.gz PTAORJIDOKPHSW-PRHODGIISA-N -1 3 359.296 2.416 20 5 FEBDHM O=[N+]([O-])c1sccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738373857 598460232 /nfs/dbraw/zinc/46/02/32/598460232.db2.gz IKPBPEASKOPDQV-UHFFFAOYSA-N -1 3 372.414 2.312 20 5 FEBDHM O=[N+]([O-])c1sccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738373857 598460234 /nfs/dbraw/zinc/46/02/34/598460234.db2.gz IKPBPEASKOPDQV-UHFFFAOYSA-N -1 3 372.414 2.312 20 5 FEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737919693 598498755 /nfs/dbraw/zinc/49/87/55/598498755.db2.gz XHLWIWVIKNUEOG-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C1CCCN1c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000738303748 598498845 /nfs/dbraw/zinc/49/88/45/598498845.db2.gz GINFIJFCAVHKEJ-UHFFFAOYSA-N -1 3 366.341 2.040 20 5 FEBDHM O=C1CCCN1c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000738303748 598498847 /nfs/dbraw/zinc/49/88/47/598498847.db2.gz GINFIJFCAVHKEJ-UHFFFAOYSA-N -1 3 366.341 2.040 20 5 FEBDHM CNc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736887837 598599165 /nfs/dbraw/zinc/59/91/65/598599165.db2.gz SXAMHKAYQYVUDP-UHFFFAOYSA-N -1 3 357.305 2.208 20 5 FEBDHM CNc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736887837 598599167 /nfs/dbraw/zinc/59/91/67/598599167.db2.gz SXAMHKAYQYVUDP-UHFFFAOYSA-N -1 3 357.305 2.208 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737974676 598703680 /nfs/dbraw/zinc/70/36/80/598703680.db2.gz QYANZIWFPUEKHI-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737974676 598703681 /nfs/dbraw/zinc/70/36/81/598703681.db2.gz QYANZIWFPUEKHI-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000823651119 599295334 /nfs/dbraw/zinc/29/53/34/599295334.db2.gz GLCKTXQSFBTTTK-UHFFFAOYSA-N -1 3 354.355 2.392 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000823651119 599295336 /nfs/dbraw/zinc/29/53/36/599295336.db2.gz GLCKTXQSFBTTTK-UHFFFAOYSA-N -1 3 354.355 2.392 20 5 FEBDHM CCN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505645 599311790 /nfs/dbraw/zinc/31/17/90/599311790.db2.gz PQSJBIMRPRFTTN-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM CCN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505645 599311795 /nfs/dbraw/zinc/31/17/95/599311795.db2.gz PQSJBIMRPRFTTN-UHFFFAOYSA-N -1 3 368.353 2.207 20 5 FEBDHM Cc1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000822262669 599316930 /nfs/dbraw/zinc/31/69/30/599316930.db2.gz CSINABBENSYZTA-UHFFFAOYSA-N -1 3 355.358 2.278 20 5 FEBDHM Cc1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000822262669 599316933 /nfs/dbraw/zinc/31/69/33/599316933.db2.gz CSINABBENSYZTA-UHFFFAOYSA-N -1 3 355.358 2.278 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000821732838 607369380 /nfs/dbraw/zinc/36/93/80/607369380.db2.gz VKDUQCZJNRQQJV-UHFFFAOYSA-N -1 3 352.354 2.346 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000821732838 607369381 /nfs/dbraw/zinc/36/93/81/607369381.db2.gz VKDUQCZJNRQQJV-UHFFFAOYSA-N -1 3 352.354 2.346 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821846564 599430216 /nfs/dbraw/zinc/43/02/16/599430216.db2.gz ULYROQTYAZKGDN-UHFFFAOYSA-N -1 3 370.369 2.082 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[C@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823643780 599571771 /nfs/dbraw/zinc/57/17/71/599571771.db2.gz AQGMORJBJDXTTJ-MEBBXXQBSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[C@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000823643780 599571773 /nfs/dbraw/zinc/57/17/73/599571773.db2.gz AQGMORJBJDXTTJ-MEBBXXQBSA-N -1 3 369.385 2.286 20 5 FEBDHM Cc1cc([C@](C)(O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)o1 ZINC000822191508 599577244 /nfs/dbraw/zinc/57/72/44/599577244.db2.gz JXBSNMGMLYELHC-MRXNPFEDSA-N -1 3 358.358 2.304 20 5 FEBDHM Cc1cc([C@](C)(O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)o1 ZINC000822191508 599577247 /nfs/dbraw/zinc/57/72/47/599577247.db2.gz JXBSNMGMLYELHC-MRXNPFEDSA-N -1 3 358.358 2.304 20 5 FEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000823414506 599695457 /nfs/dbraw/zinc/69/54/57/599695457.db2.gz XYPZNTBEKVRBLS-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cn1 ZINC000823414506 599695458 /nfs/dbraw/zinc/69/54/58/599695458.db2.gz XYPZNTBEKVRBLS-UHFFFAOYSA-N -1 3 360.717 2.180 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2C)cc1-c1nnn[n-]1 ZINC000826206410 607606024 /nfs/dbraw/zinc/60/60/24/607606024.db2.gz RQECMBBWPSWUOT-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2C)cc1-c1nn[n-]n1 ZINC000826206410 607606026 /nfs/dbraw/zinc/60/60/26/607606026.db2.gz RQECMBBWPSWUOT-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@](C)(CNC(=O)[O-])C(C)C ZINC000740151336 603138671 /nfs/dbraw/zinc/13/86/71/603138671.db2.gz AHRGPYZDAUTRFE-MRXNPFEDSA-N -1 3 352.391 2.114 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1cccc(F)c1 ZINC000820462295 606425398 /nfs/dbraw/zinc/42/53/98/606425398.db2.gz XAXJPVUUPKNRLX-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1cccc(F)c1 ZINC000820462295 606425400 /nfs/dbraw/zinc/42/54/00/606425400.db2.gz XAXJPVUUPKNRLX-RFAUZJTJSA-N -1 3 358.333 2.448 20 5 FEBDHM O=[N+]([O-])c1cc(N2CCO[C@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000823634982 606645184 /nfs/dbraw/zinc/64/51/84/606645184.db2.gz PDOSMYUYFSJMKH-INIZCTEOSA-N -1 3 352.354 2.353 20 5 FEBDHM Cc1nc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000822449522 606813168 /nfs/dbraw/zinc/81/31/68/606813168.db2.gz CFPWOHBOFRGENV-UHFFFAOYSA-N -1 3 361.268 2.009 20 5 FEBDHM Cc1nc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000822449522 606813170 /nfs/dbraw/zinc/81/31/70/606813170.db2.gz CFPWOHBOFRGENV-UHFFFAOYSA-N -1 3 361.268 2.009 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nnn[n-]1 ZINC000821569266 606971130 /nfs/dbraw/zinc/97/11/30/606971130.db2.gz DARFLYVZUJDJBW-DHZHZOJOSA-N -1 3 350.338 2.451 20 5 FEBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nn[n-]n1 ZINC000821569266 606971132 /nfs/dbraw/zinc/97/11/32/606971132.db2.gz DARFLYVZUJDJBW-DHZHZOJOSA-N -1 3 350.338 2.451 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823055361 607074231 /nfs/dbraw/zinc/07/42/31/607074231.db2.gz NAWOKCQLQSNJJF-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823055361 607074233 /nfs/dbraw/zinc/07/42/33/607074233.db2.gz NAWOKCQLQSNJJF-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640175 607177073 /nfs/dbraw/zinc/17/70/73/607177073.db2.gz WMNPWVRQHJILEV-ZUZCIYMTSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640175 607177074 /nfs/dbraw/zinc/17/70/74/607177074.db2.gz WMNPWVRQHJILEV-ZUZCIYMTSA-N -1 3 362.415 2.242 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000823629661 607226123 /nfs/dbraw/zinc/22/61/23/607226123.db2.gz DKKZDLYWLQHCBS-MRXNPFEDSA-N -1 3 368.353 2.058 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000823629661 607226124 /nfs/dbraw/zinc/22/61/24/607226124.db2.gz DKKZDLYWLQHCBS-MRXNPFEDSA-N -1 3 368.353 2.058 20 5 FEBDHM CC(C)c1nc2c(n1C)CCN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)C2 ZINC000824364970 607841730 /nfs/dbraw/zinc/84/17/30/607841730.db2.gz XIHVYVVXZVJTCU-UHFFFAOYSA-N -1 3 368.401 2.195 20 5 FEBDHM CC(C)c1nc2c(n1C)CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC000824364970 607841731 /nfs/dbraw/zinc/84/17/31/607841731.db2.gz XIHVYVVXZVJTCU-UHFFFAOYSA-N -1 3 368.401 2.195 20 5 FEBDHM O=[N+]([O-])c1cnn(CCSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826500807 607845137 /nfs/dbraw/zinc/84/51/37/607845137.db2.gz MWTLBBFWYPXYRT-UHFFFAOYSA-N -1 3 351.779 2.417 20 5 FEBDHM O=[N+]([O-])c1cnn(CCSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826500807 607845138 /nfs/dbraw/zinc/84/51/38/607845138.db2.gz MWTLBBFWYPXYRT-UHFFFAOYSA-N -1 3 351.779 2.417 20 5 FEBDHM CN(Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826004085 607846292 /nfs/dbraw/zinc/84/62/92/607846292.db2.gz IAOWIZBONQJPJC-UHFFFAOYSA-N -1 3 350.342 2.219 20 5 FEBDHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826281878 607952522 /nfs/dbraw/zinc/95/25/22/607952522.db2.gz NUEACLGRDPHBMB-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826281878 607952523 /nfs/dbraw/zinc/95/25/23/607952523.db2.gz NUEACLGRDPHBMB-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM CCc1nnc(NCCc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1CC ZINC000825771846 607967827 /nfs/dbraw/zinc/96/78/27/607967827.db2.gz UGYSCVDPKZIKBH-UHFFFAOYSA-N -1 3 368.401 2.344 20 5 FEBDHM CCc1nnc(NCCc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1CC ZINC000825771846 607967828 /nfs/dbraw/zinc/96/78/28/607967828.db2.gz UGYSCVDPKZIKBH-UHFFFAOYSA-N -1 3 368.401 2.344 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCSC1 ZINC000826450913 608162547 /nfs/dbraw/zinc/16/25/47/608162547.db2.gz ISCJQXOYQZGKPQ-ZCFIWIBFSA-N -1 3 354.779 2.120 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCSC1 ZINC000826450913 608162550 /nfs/dbraw/zinc/16/25/50/608162550.db2.gz ISCJQXOYQZGKPQ-ZCFIWIBFSA-N -1 3 354.779 2.120 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cccc(-c4nnn[n-]4)c3F)n2)c1 ZINC000826499830 608398483 /nfs/dbraw/zinc/39/84/83/608398483.db2.gz ZKXWAWQWTFZABU-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cccc(-c4nn[n-]n4)c3F)n2)c1 ZINC000826499830 608398484 /nfs/dbraw/zinc/39/84/84/608398484.db2.gz ZKXWAWQWTFZABU-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ncccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826500877 608410912 /nfs/dbraw/zinc/41/09/12/608410912.db2.gz PUKIGGCVAVWKNO-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM O=[N+]([O-])c1ncccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826500877 608410913 /nfs/dbraw/zinc/41/09/13/608410913.db2.gz PUKIGGCVAVWKNO-UHFFFAOYSA-N -1 3 363.341 2.172 20 5 FEBDHM C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824477629 608432728 /nfs/dbraw/zinc/43/27/28/608432728.db2.gz BCRXWGWEFBBPHF-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824477629 608432729 /nfs/dbraw/zinc/43/27/29/608432729.db2.gz BCRXWGWEFBBPHF-LLVKDONJSA-N -1 3 368.353 2.031 20 5 FEBDHM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826179759 609460459 /nfs/dbraw/zinc/46/04/59/609460459.db2.gz CVNKRGGXDNWPFS-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179759 609460462 /nfs/dbraw/zinc/46/04/62/609460462.db2.gz CVNKRGGXDNWPFS-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000610265494 675962710 /nfs/dbraw/zinc/96/27/10/675962710.db2.gz PXYNDYXCPRBFNZ-UHFFFAOYSA-N -1 3 355.397 2.093 20 5 FEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000125489097 672012442 /nfs/dbraw/zinc/01/24/42/672012442.db2.gz DNSIQKFQKNVPAK-UHFFFAOYSA-N -1 3 362.289 2.314 20 5 FEBDHM O=C(NCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([O-])cc1 ZINC000154964571 672225245 /nfs/dbraw/zinc/22/52/45/672225245.db2.gz RVPMOACGWYMJBW-UHFFFAOYSA-N -1 3 363.757 2.114 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)O ZINC000611020788 676011696 /nfs/dbraw/zinc/01/16/96/676011696.db2.gz PDWSUYRDNVIAIA-SSDOTTSWSA-N -1 3 356.322 2.051 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000192740421 672700539 /nfs/dbraw/zinc/70/05/39/672700539.db2.gz PBBMWORWYZWYIB-CYBMUJFWSA-N -1 3 356.787 2.260 20 5 FEBDHM Cc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(=O)[n-]1 ZINC000193206399 672716807 /nfs/dbraw/zinc/71/68/07/672716807.db2.gz HWDRWLOCKUJAAN-UHFFFAOYSA-N -1 3 352.297 2.144 20 5 FEBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592084856 672751348 /nfs/dbraw/zinc/75/13/48/672751348.db2.gz XSRLAZGMEVXBLA-GXSJLCMTSA-N -1 3 350.824 2.324 20 5 FEBDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593571550 672947060 /nfs/dbraw/zinc/94/70/60/672947060.db2.gz GZCVTLPGMADOAW-ZUZCIYMTSA-N -1 3 369.374 2.183 20 5 FEBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593571703 672947175 /nfs/dbraw/zinc/94/71/75/672947175.db2.gz AGUISDABEFLBGL-OCCSQVGLSA-N -1 3 357.432 2.252 20 5 FEBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000594474451 673081083 /nfs/dbraw/zinc/08/10/83/673081083.db2.gz JMTGWXLQLNDFIJ-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000594863308 673169626 /nfs/dbraw/zinc/16/96/26/673169626.db2.gz HGXAOBNDYPFJFY-QWHCGFSZSA-N -1 3 369.443 2.394 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000538285950 673431925 /nfs/dbraw/zinc/43/19/25/673431925.db2.gz BCZSHDUODBDSRM-XHDPSFHLSA-N -1 3 374.390 2.134 20 5 FEBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000539469689 673491917 /nfs/dbraw/zinc/49/19/17/673491917.db2.gz VWVDAURPORIPJH-UHFFFAOYSA-N -1 3 358.339 2.217 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601393740 673854384 /nfs/dbraw/zinc/85/43/84/673854384.db2.gz KFTDBVBKXYHOFL-SMDDNHRTSA-N -1 3 358.391 2.278 20 5 FEBDHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000764597955 680816367 /nfs/dbraw/zinc/81/63/67/680816367.db2.gz PHTDVKPRWMEJAY-MFKMUULPSA-N -1 3 358.416 2.163 20 5 FEBDHM Cn1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000769869776 680997832 /nfs/dbraw/zinc/99/78/32/680997832.db2.gz RVQSDWLGGHIYIN-UHFFFAOYSA-N -1 3 350.400 2.190 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccc(F)c2)c(F)c1 ZINC000917651932 685533467 /nfs/dbraw/zinc/53/34/67/685533467.db2.gz HDTKIOWIHQRGFW-UHFFFAOYSA-N -1 3 358.322 2.230 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000917760705 685534508 /nfs/dbraw/zinc/53/45/08/685534508.db2.gz ITQQZQUFYHZADL-LLVKDONJSA-N -1 3 361.851 2.401 20 5 FEBDHM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000794406763 682966284 /nfs/dbraw/zinc/96/62/84/682966284.db2.gz OUGVBZOYJUHNNJ-UHFFFAOYSA-N -1 3 355.341 2.204 20 5 FEBDHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1)OCO2 ZINC000794867576 683000567 /nfs/dbraw/zinc/00/05/67/683000567.db2.gz YLNZGZSYIDELID-UHFFFAOYSA-N -1 3 351.340 2.015 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921862385 683598544 /nfs/dbraw/zinc/59/85/44/683598544.db2.gz QTJMFIVSRGORRQ-JOYOIKCWSA-N -1 3 368.333 2.149 20 5 FEBDHM CCN1CCN(CCCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000910344485 691918647 /nfs/dbraw/zinc/91/86/47/691918647.db2.gz DFWWJEZDDGUVKV-UHFFFAOYSA-N -1 3 350.419 2.041 20 5 FEBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000549210975 674025962 /nfs/dbraw/zinc/02/59/62/674025962.db2.gz UNOJGLVQFKUIGW-UHFFFAOYSA-N -1 3 366.355 2.274 20 5 FEBDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000026829177 539793702 /nfs/dbraw/zinc/79/37/02/539793702.db2.gz ZBEMROKUBIENFU-QMMMGPOBSA-N -1 3 358.807 2.330 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032441181 539939537 /nfs/dbraw/zinc/93/95/37/539939537.db2.gz AXNHIQRLIYIYAY-STQMWFEESA-N -1 3 371.459 2.145 20 5 FEBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000041835332 540035678 /nfs/dbraw/zinc/03/56/78/540035678.db2.gz IERXKTWZAOPEGT-UHFFFAOYSA-N -1 3 352.350 2.278 20 5 FEBDHM CCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044667893 540135725 /nfs/dbraw/zinc/13/57/25/540135725.db2.gz PDKPWHSKOHGABN-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM COC(=O)c1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc([N+](=O)[O-])c1 ZINC000535880551 540524828 /nfs/dbraw/zinc/52/48/28/540524828.db2.gz SOFOKFXYTKWFFS-UHFFFAOYSA-N -1 3 367.321 2.419 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000055240507 540639283 /nfs/dbraw/zinc/63/92/83/540639283.db2.gz SJECJCAAXNQLJZ-RYUDHWBXSA-N -1 3 359.423 2.133 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c(F)c1 ZINC000055241851 540639474 /nfs/dbraw/zinc/63/94/74/540639474.db2.gz OZBCTFAEBQROPJ-UHFFFAOYSA-N -1 3 354.359 2.481 20 5 FEBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cn2c1 ZINC000055295918 540644931 /nfs/dbraw/zinc/64/49/31/540644931.db2.gz PNRGKGJKSLKTEZ-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000056036856 540695740 /nfs/dbraw/zinc/69/57/40/540695740.db2.gz TYXDWGKZPYRWQV-UHFFFAOYSA-N -1 3 362.791 2.012 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cnn(Cc2ccccc2)c1 ZINC000056064519 540698526 /nfs/dbraw/zinc/69/85/26/540698526.db2.gz OHTZCBQYEPFKIM-UHFFFAOYSA-N -1 3 372.406 2.318 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000057925549 540824152 /nfs/dbraw/zinc/82/41/52/540824152.db2.gz RIXULXBSKHOPPC-UHFFFAOYSA-N -1 3 358.416 2.231 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)cc1C ZINC000060508828 541115595 /nfs/dbraw/zinc/11/55/95/541115595.db2.gz YWHUZUUMRUKGMB-UHFFFAOYSA-N -1 3 364.379 2.419 20 5 FEBDHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066577048 541340093 /nfs/dbraw/zinc/34/00/93/541340093.db2.gz RNBKBIKNSUUWFN-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000020003028 220308304 /nfs/dbraw/zinc/30/83/04/220308304.db2.gz RUMUQDHUBRQVKB-GFCCVEGCSA-N -1 3 373.394 2.215 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000092264635 542852623 /nfs/dbraw/zinc/85/26/23/542852623.db2.gz CVVWVDDOWOKBMR-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])OC)c1 ZINC000096390266 542998875 /nfs/dbraw/zinc/99/88/75/542998875.db2.gz IUCNSOFSILLYHF-OAHLLOKOSA-N -1 3 366.395 2.269 20 5 FEBDHM COc1cc(CNc2ccc(-c3nncn3C)cn2)c([N+](=O)[O-])cc1[O-] ZINC000123979845 543794292 /nfs/dbraw/zinc/79/42/92/543794292.db2.gz VSOGZFQIMRKGPS-UHFFFAOYSA-N -1 3 356.342 2.112 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000124011902 543796112 /nfs/dbraw/zinc/79/61/12/543796112.db2.gz DNAMAPVEXMJYFD-ZJUUUORDSA-N -1 3 359.835 2.152 20 5 FEBDHM CCCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000131244206 544182042 /nfs/dbraw/zinc/18/20/42/544182042.db2.gz FZYNZUVFUALODB-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1nn(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1[N+](=O)[O-] ZINC000135163116 544336782 /nfs/dbraw/zinc/33/67/82/544336782.db2.gz LOCVOGACZGPYSA-UHFFFAOYSA-N -1 3 361.749 2.328 20 5 FEBDHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135185008 544337569 /nfs/dbraw/zinc/33/75/69/544337569.db2.gz IUXAFLASUYZMHF-UHFFFAOYSA-N -1 3 365.345 2.283 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c1[N+](=O)[O-] ZINC000189819639 328170033 /nfs/dbraw/zinc/17/00/33/328170033.db2.gz LJBMIJHNYDITBE-UHFFFAOYSA-N -1 3 374.422 2.380 20 5 FEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189954186 328178469 /nfs/dbraw/zinc/17/84/69/328178469.db2.gz AVAFCXFWPPRJGT-UHFFFAOYSA-N -1 3 353.400 2.337 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000189994903 328180981 /nfs/dbraw/zinc/18/09/81/328180981.db2.gz FNHGUMAUNCZFAP-OAHLLOKOSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000189994918 328181141 /nfs/dbraw/zinc/18/11/41/328181141.db2.gz FNHGUMAUNCZFAP-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c1[N+](=O)[O-] ZINC000190076269 328186109 /nfs/dbraw/zinc/18/61/09/328186109.db2.gz YSHFFZAOFWHNKG-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000191858800 328285362 /nfs/dbraw/zinc/28/53/62/328285362.db2.gz AWXNNDCNSJKUEI-UHFFFAOYSA-N -1 3 369.175 2.209 20 5 FEBDHM O=C1CCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(F)cc2N1 ZINC000194666262 328434780 /nfs/dbraw/zinc/43/47/80/328434780.db2.gz FLQBDWJXCCMREM-UHFFFAOYSA-N -1 3 365.342 2.419 20 5 FEBDHM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000116902947 326041894 /nfs/dbraw/zinc/04/18/94/326041894.db2.gz VOLFMAQVXUXRRA-NRFANRHFSA-N -1 3 368.864 2.074 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)c1C ZINC000119704319 326189662 /nfs/dbraw/zinc/18/96/62/326189662.db2.gz HXMCHSFEMMALAR-LLVKDONJSA-N -1 3 352.416 2.023 20 5 FEBDHM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)[N-]N2CCCCC2=O)CC1 ZINC000121755799 326364396 /nfs/dbraw/zinc/36/43/96/326364396.db2.gz LGUBYLDFIBJGJI-UHFFFAOYSA-N -1 3 360.414 2.488 20 5 FEBDHM O=[N+]([O-])c1cc(F)c(NCC[N-]S(=O)(=O)c2cccs2)c(F)c1 ZINC000121791442 326367507 /nfs/dbraw/zinc/36/75/07/326367507.db2.gz HJTQRJSMYOFYSQ-UHFFFAOYSA-N -1 3 363.367 2.325 20 5 FEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)nc1 ZINC000128735052 326528983 /nfs/dbraw/zinc/52/89/83/326528983.db2.gz SXRDCFATAZEHDR-UHFFFAOYSA-N -1 3 362.820 2.095 20 5 FEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153351609 326730829 /nfs/dbraw/zinc/73/08/29/326730829.db2.gz XZJZIVWHDGYBEA-BIMULSAOSA-N -1 3 360.819 2.340 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000156047782 326815851 /nfs/dbraw/zinc/81/58/51/326815851.db2.gz YHMPXOVTTOPNMV-UHFFFAOYSA-N -1 3 369.399 2.195 20 5 FEBDHM O=C(NC1CCN(CCc2ccncc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160197784 326956923 /nfs/dbraw/zinc/95/69/23/326956923.db2.gz HZRIYZQLVHOFBQ-UHFFFAOYSA-N -1 3 370.409 2.132 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000162761628 327034133 /nfs/dbraw/zinc/03/41/33/327034133.db2.gz IJHKQEAWINRILS-KCJUWKMLSA-N -1 3 368.333 2.459 20 5 FEBDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)CCCC2)no1 ZINC000172017383 327176329 /nfs/dbraw/zinc/17/63/29/327176329.db2.gz KFQKMFBBJNXSGH-UHFFFAOYSA-N -1 3 366.399 2.342 20 5 FEBDHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000172600435 327210502 /nfs/dbraw/zinc/21/05/02/327210502.db2.gz IGKHMQJFGWWXCI-UHFFFAOYSA-N -1 3 373.387 2.298 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174667821 327342322 /nfs/dbraw/zinc/34/23/22/327342322.db2.gz YXNPYDPNWANUHI-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175127478 327375667 /nfs/dbraw/zinc/37/56/67/327375667.db2.gz HKFZVQOCTRSLNX-XHDPSFHLSA-N -1 3 360.407 2.463 20 5 FEBDHM COc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000266074543 329187560 /nfs/dbraw/zinc/18/75/60/329187560.db2.gz ADJYNWZPFSPUSF-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000267826285 329360958 /nfs/dbraw/zinc/36/09/58/329360958.db2.gz ZACLDTOPXLUEBA-BLLLJJGKSA-N -1 3 372.443 2.333 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc2c1OCCCO2 ZINC000269315354 329506949 /nfs/dbraw/zinc/50/69/49/329506949.db2.gz WZPVHFWYYVDOPY-UHFFFAOYSA-N -1 3 364.379 2.235 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000269795898 329549738 /nfs/dbraw/zinc/54/97/38/329549738.db2.gz RNBWGQPGPHGHGM-CYBMUJFWSA-N -1 3 354.384 2.125 20 5 FEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271290245 329680525 /nfs/dbraw/zinc/68/05/25/329680525.db2.gz RUBPXRYXJDJYQB-BDAKNGLRSA-N -1 3 368.333 2.459 20 5 FEBDHM O=C(NC1CCN(CCc2ccncc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367137339 330221467 /nfs/dbraw/zinc/22/14/67/330221467.db2.gz HOSHHRZUARUJKF-UHFFFAOYSA-N -1 3 370.409 2.132 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1C ZINC000155879447 545579180 /nfs/dbraw/zinc/57/91/80/545579180.db2.gz HIWNKNHDUPJYAT-WQVCFCJDSA-N -1 3 366.439 2.448 20 5 FEBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000158890963 545903880 /nfs/dbraw/zinc/90/38/80/545903880.db2.gz IQJXTODLNKENMU-UHFFFAOYSA-N -1 3 369.786 2.409 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCO[C@H]1CC(C)C ZINC000478764419 561174452 /nfs/dbraw/zinc/17/44/52/561174452.db2.gz IPVGDPAEQSKKNZ-HIFRSBDPSA-N -1 3 372.443 2.475 20 5 FEBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176728385 546481025 /nfs/dbraw/zinc/48/10/25/546481025.db2.gz XEHLDFPGTBHCNP-UHFFFAOYSA-N -1 3 372.834 2.385 20 5 FEBDHM Cn1ccnc1C(=O)c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000480581796 561212505 /nfs/dbraw/zinc/21/25/05/561212505.db2.gz NLXYTIFPILGUGR-UHFFFAOYSA-N -1 3 353.338 2.272 20 5 FEBDHM CCCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OC ZINC000480717815 561215213 /nfs/dbraw/zinc/21/52/13/561215213.db2.gz BZKDJXLWRHOVEY-LBPRGKRZSA-N -1 3 358.416 2.222 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000480883380 561219383 /nfs/dbraw/zinc/21/93/83/561219383.db2.gz UWLCDRCLHWOZGV-MRXNPFEDSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)c1C ZINC000480967997 561221576 /nfs/dbraw/zinc/22/15/76/561221576.db2.gz ZGWWYKNKCPCSTD-NSHDSACASA-N -1 3 358.416 2.078 20 5 FEBDHM COc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000481292783 561229765 /nfs/dbraw/zinc/22/97/65/561229765.db2.gz XXKNSRKRBGWETF-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000481292783 561229766 /nfs/dbraw/zinc/22/97/66/561229766.db2.gz XXKNSRKRBGWETF-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM COc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000481292783 561229767 /nfs/dbraw/zinc/22/97/67/561229767.db2.gz XXKNSRKRBGWETF-UHFFFAOYSA-N -1 3 360.252 2.062 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1O ZINC000178620353 546822040 /nfs/dbraw/zinc/82/20/40/546822040.db2.gz PCWAVAZURLMSPF-UHFFFAOYSA-N -1 3 356.787 2.475 20 5 FEBDHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184552769 547844613 /nfs/dbraw/zinc/84/46/13/547844613.db2.gz YSIQUNQRNXUPSP-MRXNPFEDSA-N -1 3 350.396 2.056 20 5 FEBDHM O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186935180 548223870 /nfs/dbraw/zinc/22/38/70/548223870.db2.gz RDBAFTLJWWWCKY-UHFFFAOYSA-N -1 3 360.717 2.386 20 5 FEBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000487081313 561363185 /nfs/dbraw/zinc/36/31/85/561363185.db2.gz AAAWDBIIKSWNKK-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000488406118 561389479 /nfs/dbraw/zinc/38/94/79/561389479.db2.gz XAAHVEHEWGXMEF-UHFFFAOYSA-N -1 3 371.397 2.001 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246912358 549241392 /nfs/dbraw/zinc/24/13/92/549241392.db2.gz MRBMWXMGDOCDHW-IIDMSEBBSA-N -1 3 374.418 2.468 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000490533950 561434572 /nfs/dbraw/zinc/43/45/72/561434572.db2.gz HOFZCPVFFBQUOE-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM COC(=O)c1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000494509712 561470882 /nfs/dbraw/zinc/47/08/82/561470882.db2.gz CZASSLKBJDZVCA-UHFFFAOYSA-N -1 3 364.379 2.366 20 5 FEBDHM COc1ccc(CN[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC000277403783 550666120 /nfs/dbraw/zinc/66/61/20/550666120.db2.gz SABDNRKXIFRYBK-INIZCTEOSA-N -1 3 360.366 2.398 20 5 FEBDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000285337004 551740646 /nfs/dbraw/zinc/74/06/46/551740646.db2.gz KGKTXYMXQIFLFC-ZETCQYMHSA-N -1 3 359.795 2.023 20 5 FEBDHM COc1ccc([C@H](CN(C)C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000286287490 551870024 /nfs/dbraw/zinc/87/00/24/551870024.db2.gz WTUNIERYVNWYSY-KRWDZBQOSA-N -1 3 359.382 2.342 20 5 FEBDHM C[C@]1(C[C@@H]2CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)NC(=O)[N-]C1=O ZINC000286446872 551886429 /nfs/dbraw/zinc/88/64/29/551886429.db2.gz RRHJRKAPLXZCET-SCLBCKFNSA-N -1 3 369.381 2.100 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)c([N+](=O)[O-])c1 ZINC000288935802 552239320 /nfs/dbraw/zinc/23/93/20/552239320.db2.gz NLWQBMHGIMAZDY-CYBMUJFWSA-N -1 3 354.388 2.002 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000501457577 561597899 /nfs/dbraw/zinc/59/78/99/561597899.db2.gz XOOPPYXRFGRVQY-NXEZZACHSA-N -1 3 366.342 2.042 20 5 FEBDHM COc1cc(CNCc2cccc(N3CCOCC3)c2)c([N+](=O)[O-])cc1[O-] ZINC000293040258 552783139 /nfs/dbraw/zinc/78/31/39/552783139.db2.gz SFUHBUAAHVCWTP-UHFFFAOYSA-N -1 3 373.409 2.435 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCc2nccnc2C)c1 ZINC000293821761 552859402 /nfs/dbraw/zinc/85/94/02/552859402.db2.gz PAELJOGQEMFWAT-UHFFFAOYSA-N -1 3 370.818 2.176 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cn3cccc(C)c3n2)c([N+](=O)[O-])c1 ZINC000503706357 561647369 /nfs/dbraw/zinc/64/73/69/561647369.db2.gz WHTFNEUNHXJUPV-UHFFFAOYSA-N -1 3 360.395 2.338 20 5 FEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000301380344 553647301 /nfs/dbraw/zinc/64/73/01/553647301.db2.gz ZUPKYEZEBXPKEZ-UHFFFAOYSA-N -1 3 371.393 2.409 20 5 FEBDHM C[C@](CO)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000325884323 553778366 /nfs/dbraw/zinc/77/83/66/553778366.db2.gz IYIBJOLPDMNFCN-OAHLLOKOSA-N -1 3 370.814 2.434 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@](C)(CO)c1ccccc1 ZINC000326117517 553779216 /nfs/dbraw/zinc/77/92/16/553779216.db2.gz HCWRCNGKIKCIKX-MRXNPFEDSA-N -1 3 350.396 2.089 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000326304188 553780077 /nfs/dbraw/zinc/78/00/77/553780077.db2.gz IPWGOKBCGXTJNL-UHFFFAOYSA-N -1 3 356.400 2.383 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C1CCCC1 ZINC000326427486 553780493 /nfs/dbraw/zinc/78/04/93/553780493.db2.gz NZTPEMDNJRSKEW-JTQLQIEISA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCCCC1 ZINC000507544884 561732446 /nfs/dbraw/zinc/73/24/46/561732446.db2.gz YXUHKRQOWWMJDK-UHFFFAOYSA-N -1 3 370.427 2.448 20 5 FEBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000507594338 561734542 /nfs/dbraw/zinc/73/45/42/561734542.db2.gz ABRPZGYPHLPKAD-GXTWGEPZSA-N -1 3 356.382 2.261 20 5 FEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1[N+](=O)[O-] ZINC000508071129 561750311 /nfs/dbraw/zinc/75/03/11/561750311.db2.gz XROKKFFDDPSVAW-GFCCVEGCSA-N -1 3 368.333 2.211 20 5 FEBDHM CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000331546586 554283081 /nfs/dbraw/zinc/28/30/81/554283081.db2.gz RFKDXBCHHDBZQB-UHFFFAOYSA-N -1 3 369.443 2.054 20 5 FEBDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CCC2 ZINC000331733333 554317771 /nfs/dbraw/zinc/31/77/71/554317771.db2.gz SEAQTSUFECBONU-ZDUSSCGKSA-N -1 3 364.427 2.264 20 5 FEBDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332210106 554401759 /nfs/dbraw/zinc/40/17/59/554401759.db2.gz ZSMVKZMGMYDGFZ-GHMZBOCLSA-N -1 3 356.400 2.223 20 5 FEBDHM O=C(NCCc1nc(-c2ccc([O-])cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000350572153 554798756 /nfs/dbraw/zinc/79/87/56/554798756.db2.gz DZYPVDWEXVKBTO-UHFFFAOYSA-N -1 3 354.322 2.323 20 5 FEBDHM Cc1cc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367387867 556035302 /nfs/dbraw/zinc/03/53/02/556035302.db2.gz JMZAOFJRRVMRJY-AWEZNQCLSA-N -1 3 361.329 2.357 20 5 FEBDHM CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514707477 561975118 /nfs/dbraw/zinc/97/51/18/561975118.db2.gz BNHBKJPMUSMVJF-QMMMGPOBSA-N -1 3 367.387 2.040 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000368314336 556275646 /nfs/dbraw/zinc/27/56/46/556275646.db2.gz CWUASFHFDZBBDS-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FEBDHM CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000368711517 556394045 /nfs/dbraw/zinc/39/40/45/556394045.db2.gz FMMMTSRMFUGRDF-YOEHRIQHSA-N -1 3 370.409 2.460 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](CO)c3ccccc32)c(F)c1 ZINC000368957709 556459279 /nfs/dbraw/zinc/45/92/79/556459279.db2.gz FMVMRYZVTDICER-MEBBXXQBSA-N -1 3 366.370 2.233 20 5 FEBDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414942 562089724 /nfs/dbraw/zinc/08/97/24/562089724.db2.gz MFZKLALUEDBOBC-RYUDHWBXSA-N -1 3 359.423 2.275 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000518336705 562108829 /nfs/dbraw/zinc/10/88/29/562108829.db2.gz IUCJAEHEXKQCFA-UHFFFAOYSA-N -1 3 359.338 2.068 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H](CO)c2ccccc21 ZINC000373727461 557746210 /nfs/dbraw/zinc/74/62/10/557746210.db2.gz LBVSMBMBCVXBTE-IUODEOHRSA-N -1 3 362.407 2.402 20 5 FEBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000520529474 562158259 /nfs/dbraw/zinc/15/82/59/562158259.db2.gz MCCNHXMJGGOTIF-UHFFFAOYSA-N -1 3 366.305 2.203 20 5 FEBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000520529474 562158260 /nfs/dbraw/zinc/15/82/60/562158260.db2.gz MCCNHXMJGGOTIF-UHFFFAOYSA-N -1 3 366.305 2.203 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000522879923 562205449 /nfs/dbraw/zinc/20/54/49/562205449.db2.gz GHVJGQQSHLESIP-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM Cn1ccnc1COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000524169932 562224906 /nfs/dbraw/zinc/22/49/06/562224906.db2.gz KLVOYXYHJOVOGU-UHFFFAOYSA-N -1 3 369.337 2.260 20 5 FEBDHM COc1ccc([O-])c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000524713823 562232917 /nfs/dbraw/zinc/23/29/17/562232917.db2.gz MSJZKSKXAXWMFC-LLVKDONJSA-N -1 3 358.354 2.031 20 5 FEBDHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416469316 559315513 /nfs/dbraw/zinc/31/55/13/559315513.db2.gz JAXCGOCUKFATNV-SCZZXKLOSA-N -1 3 368.333 2.317 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000416670860 559328947 /nfs/dbraw/zinc/32/89/47/559328947.db2.gz ZQFHCHGHKILZLF-ZDUSSCGKSA-N -1 3 365.386 2.291 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(C)nc(C)c1 ZINC000420703816 559499377 /nfs/dbraw/zinc/49/93/77/559499377.db2.gz VIXOCGLGEMRHKD-UHFFFAOYSA-N -1 3 351.384 2.094 20 5 FEBDHM Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]c(=O)n1 ZINC000427596098 559758477 /nfs/dbraw/zinc/75/84/77/559758477.db2.gz HQFQYLIEEWNTNY-UHFFFAOYSA-N -1 3 356.260 2.348 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000431277373 559836779 /nfs/dbraw/zinc/83/67/79/559836779.db2.gz ZYYHCFRNQYIRKC-UHFFFAOYSA-N -1 3 364.379 2.112 20 5 FEBDHM CCC[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000433441776 559881275 /nfs/dbraw/zinc/88/12/75/559881275.db2.gz FBPDOQYTABJVKD-CYBMUJFWSA-N -1 3 372.443 2.469 20 5 FEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000433464786 559882204 /nfs/dbraw/zinc/88/22/04/559882204.db2.gz DPHNDTWWVQGVJL-LBPRGKRZSA-N -1 3 358.416 2.161 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c(F)c1 ZINC000434769292 559908996 /nfs/dbraw/zinc/90/89/96/559908996.db2.gz VMLJGAGQLLJAGL-ZDUSSCGKSA-N -1 3 357.407 2.029 20 5 FEBDHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1 ZINC000436526937 559944214 /nfs/dbraw/zinc/94/42/14/559944214.db2.gz HCLZMVIBHQJTRA-NSHDSACASA-N -1 3 358.354 2.031 20 5 FEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000436678610 559948537 /nfs/dbraw/zinc/94/85/37/559948537.db2.gz HGHANEQNAIUQQE-OAHLLOKOSA-N -1 3 363.414 2.017 20 5 FEBDHM COC(=O)c1cc([N-]S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000438722530 559982767 /nfs/dbraw/zinc/98/27/67/559982767.db2.gz MLNWOFRGKRWHIL-QWRGUYRKSA-N -1 3 371.415 2.016 20 5 FEBDHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000442843425 560059539 /nfs/dbraw/zinc/05/95/39/560059539.db2.gz SQDAOXCVKWMQGD-UHFFFAOYSA-N -1 3 352.368 2.293 20 5 FEBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000527483819 562289609 /nfs/dbraw/zinc/28/96/09/562289609.db2.gz VBCULAVGRAELHA-UHFFFAOYSA-N -1 3 361.301 2.487 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1O ZINC000443153740 560072888 /nfs/dbraw/zinc/07/28/88/560072888.db2.gz DZLGPZXWDCQSSX-UHFFFAOYSA-N -1 3 352.368 2.096 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c(F)c1 ZINC000443202863 560074491 /nfs/dbraw/zinc/07/44/91/560074491.db2.gz LHFIJJLEWRXZEW-ZDUSSCGKSA-N -1 3 352.343 2.405 20 5 FEBDHM Cn1cc(Nc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)cn1 ZINC000445006003 560126581 /nfs/dbraw/zinc/12/65/81/560126581.db2.gz SURISKNUIZGVQK-UHFFFAOYSA-N -1 3 354.326 2.425 20 5 FEBDHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000448712152 560195849 /nfs/dbraw/zinc/19/58/49/560195849.db2.gz DDJYFCCCWYADPC-UHFFFAOYSA-N -1 3 359.357 2.331 20 5 FEBDHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449888145 560244409 /nfs/dbraw/zinc/24/44/09/560244409.db2.gz OUKBBBCWIHMJAZ-GFCCVEGCSA-N -1 3 360.345 2.090 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000451807201 560329855 /nfs/dbraw/zinc/32/98/55/560329855.db2.gz YBLCVXUOYMBXHY-LBPRGKRZSA-N -1 3 370.427 2.231 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000451811444 560330036 /nfs/dbraw/zinc/33/00/36/560330036.db2.gz FLDZVLSUYUFLPA-UHFFFAOYSA-N -1 3 352.409 2.009 20 5 FEBDHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451985538 560342576 /nfs/dbraw/zinc/34/25/76/560342576.db2.gz WSGSRWQTUGDIGN-QWRGUYRKSA-N -1 3 370.349 2.441 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461792547 560784079 /nfs/dbraw/zinc/78/40/79/560784079.db2.gz WHIGGRNIXLPLKI-CYBMUJFWSA-N -1 3 372.443 2.071 20 5 FEBDHM CO[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(O)cc1 ZINC000463452523 560815169 /nfs/dbraw/zinc/81/51/69/560815169.db2.gz BXXSAOLSBGGELM-KRWDZBQOSA-N -1 3 368.349 3.017 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC1CC1 ZINC000468805141 560939300 /nfs/dbraw/zinc/93/93/00/560939300.db2.gz CDLKSQDQGKYRLG-JTQLQIEISA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000468956022 560943193 /nfs/dbraw/zinc/94/31/93/560943193.db2.gz NHPLDXURUMNDEJ-LLVKDONJSA-N -1 3 364.379 2.421 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000469237109 560950619 /nfs/dbraw/zinc/95/06/19/560950619.db2.gz SWKIPKNKWATWRM-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616747 560986000 /nfs/dbraw/zinc/98/60/00/560986000.db2.gz DYXGSTZQQZLVDD-XQQFMLRXSA-N -1 3 373.450 2.379 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473337197 561047804 /nfs/dbraw/zinc/04/78/04/561047804.db2.gz BFYUTRHRTDGGEY-QMMMGPOBSA-N -1 3 373.387 2.101 20 5 FEBDHM Cc1cccc(F)c1S(=O)(=O)[N-]CCNc1ccccc1[N+](=O)[O-] ZINC000475562854 561099985 /nfs/dbraw/zinc/09/99/85/561099985.db2.gz FIDLEJDGLCJIRW-UHFFFAOYSA-N -1 3 353.375 2.433 20 5 FEBDHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143731 561137882 /nfs/dbraw/zinc/13/78/82/561137882.db2.gz YCPBXBRRPJOSNP-SCXUMTSISA-N -1 3 370.427 2.388 20 5 FEBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C ZINC000477180699 561138612 /nfs/dbraw/zinc/13/86/12/561138612.db2.gz UXHFBAZPOSRBNA-GRYCIOLGSA-N -1 3 370.427 2.469 20 5 FEBDHM Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000531468803 562446899 /nfs/dbraw/zinc/44/68/99/562446899.db2.gz LMKDPKGSFXCRFN-GFCCVEGCSA-N -1 3 357.366 2.216 20 5 FEBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000534772961 562542159 /nfs/dbraw/zinc/54/21/59/562542159.db2.gz SEPPXWNIMQKRID-UHFFFAOYSA-N -1 3 353.356 2.109 20 5 FEBDHM Cn1cnc2cc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000540696559 562591465 /nfs/dbraw/zinc/59/14/65/562591465.db2.gz SBVLEROZBRRAIH-UHFFFAOYSA-N -1 3 360.395 2.466 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@H](CC(C)C)C1 ZINC000540737999 562592313 /nfs/dbraw/zinc/59/23/13/562592313.db2.gz TXFCDSJPUNEPLL-GXTWGEPZSA-N -1 3 372.443 2.475 20 5 FEBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000540952280 562598240 /nfs/dbraw/zinc/59/82/40/562598240.db2.gz CYJRBPTWWKUVDL-GFCCVEGCSA-N -1 3 364.427 2.339 20 5 FEBDHM CC1(C)[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000820584340 599049745 /nfs/dbraw/zinc/04/97/45/599049745.db2.gz HYEDVYIEILSMSK-BETUJISGSA-N -1 3 351.370 2.415 20 5 FEBDHM CC1(C)[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000820584340 599049749 /nfs/dbraw/zinc/04/97/49/599049749.db2.gz HYEDVYIEILSMSK-BETUJISGSA-N -1 3 351.370 2.415 20 5 FEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000822216734 599149118 /nfs/dbraw/zinc/14/91/18/599149118.db2.gz YCCIPZVINDNAFU-UHFFFAOYSA-N -1 3 367.369 2.158 20 5 FEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000822216734 599149120 /nfs/dbraw/zinc/14/91/20/599149120.db2.gz YCCIPZVINDNAFU-UHFFFAOYSA-N -1 3 367.369 2.158 20 5 FEBDHM O=[N+]([O-])c1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000738369822 599159920 /nfs/dbraw/zinc/15/99/20/599159920.db2.gz PKPMLOYKSWEOMI-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM O=[N+]([O-])c1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000738369822 599159922 /nfs/dbraw/zinc/15/99/22/599159922.db2.gz PKPMLOYKSWEOMI-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822270986 607263059 /nfs/dbraw/zinc/26/30/59/607263059.db2.gz HBDBJBCUCWVAFY-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822270986 607263060 /nfs/dbraw/zinc/26/30/60/607263060.db2.gz HBDBJBCUCWVAFY-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823336893 607263473 /nfs/dbraw/zinc/26/34/73/607263473.db2.gz BQZWXCBXOWYKKH-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823336893 607263474 /nfs/dbraw/zinc/26/34/74/607263474.db2.gz BQZWXCBXOWYKKH-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821773050 607269263 /nfs/dbraw/zinc/26/92/63/607269263.db2.gz YCAZPXCVDYRLDQ-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821773050 607269264 /nfs/dbraw/zinc/26/92/64/607269264.db2.gz YCAZPXCVDYRLDQ-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM Cc1c(NC(=O)NCc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822102902 607281086 /nfs/dbraw/zinc/28/10/86/607281086.db2.gz FCONESUSLJFSFK-UHFFFAOYSA-N -1 3 353.342 2.405 20 5 FEBDHM Cc1c(NC(=O)NCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822102902 607281087 /nfs/dbraw/zinc/28/10/87/607281087.db2.gz FCONESUSLJFSFK-UHFFFAOYSA-N -1 3 353.342 2.405 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000738366644 598377854 /nfs/dbraw/zinc/37/78/54/598377854.db2.gz GQHBEAABQJHDLX-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000738366644 598377855 /nfs/dbraw/zinc/37/78/55/598377855.db2.gz GQHBEAABQJHDLX-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737928743 598703554 /nfs/dbraw/zinc/70/35/54/598703554.db2.gz GDZYPNMQKSKZSD-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737928743 598703556 /nfs/dbraw/zinc/70/35/56/598703556.db2.gz GDZYPNMQKSKZSD-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000808341369 674454414 /nfs/dbraw/zinc/45/44/14/674454414.db2.gz WFYVYOOBPGOMKB-BMIGLBTASA-N -1 3 354.359 2.134 20 5 FEBDHM CN(CCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821604904 599323191 /nfs/dbraw/zinc/32/31/91/599323191.db2.gz MKTGVFCQVXZNEV-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM CN(CCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821604904 599323194 /nfs/dbraw/zinc/32/31/94/599323194.db2.gz MKTGVFCQVXZNEV-UHFFFAOYSA-N -1 3 358.333 2.429 20 5 FEBDHM O=[N+]([O-])c1ccc(Oc2cccc(-n3cncn3)c2)c(-c2nnn[n-]2)c1 ZINC000738366950 599473423 /nfs/dbraw/zinc/47/34/23/599473423.db2.gz LEARPBDQEIQRNX-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM O=[N+]([O-])c1ccc(Oc2cccc(-n3cncn3)c2)c(-c2nn[n-]n2)c1 ZINC000738366950 599473426 /nfs/dbraw/zinc/47/34/26/599473426.db2.gz LEARPBDQEIQRNX-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nn[n-]n3)cc2C)c1[N+](=O)[O-] ZINC000736603486 599524447 /nfs/dbraw/zinc/52/44/47/599524447.db2.gz XIEJMKYNOQWAFT-UHFFFAOYSA-N -1 3 370.325 2.447 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc(-n2cncn2)cc1 ZINC000738358596 599527481 /nfs/dbraw/zinc/52/74/81/599527481.db2.gz NISNRPOIWNKEEB-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc(-n2cncn2)cc1 ZINC000738358596 599527483 /nfs/dbraw/zinc/52/74/83/599527483.db2.gz NISNRPOIWNKEEB-UHFFFAOYSA-N -1 3 350.298 2.148 20 5 FEBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000820994389 599549017 /nfs/dbraw/zinc/54/90/17/599549017.db2.gz HGIYKADHQGABDS-JQWIXIFHSA-N -1 3 369.385 2.327 20 5 FEBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000820994389 599549021 /nfs/dbraw/zinc/54/90/21/599549021.db2.gz HGIYKADHQGABDS-JQWIXIFHSA-N -1 3 369.385 2.327 20 5 FEBDHM C[C@H]1CSCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820813222 599565580 /nfs/dbraw/zinc/56/55/80/599565580.db2.gz BJLRTLGZHITRIV-VIFPVBQESA-N -1 3 357.399 2.265 20 5 FEBDHM C[C@H]1CSCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820813222 599565584 /nfs/dbraw/zinc/56/55/84/599565584.db2.gz BJLRTLGZHITRIV-VIFPVBQESA-N -1 3 357.399 2.265 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000826252318 607390135 /nfs/dbraw/zinc/39/01/35/607390135.db2.gz YXCZUVBDMJCIEH-UHFFFAOYSA-N -1 3 353.338 2.483 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000826252318 607390137 /nfs/dbraw/zinc/39/01/37/607390137.db2.gz YXCZUVBDMJCIEH-UHFFFAOYSA-N -1 3 353.338 2.483 20 5 FEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccnc(F)c1 ZINC000826450878 607525391 /nfs/dbraw/zinc/52/53/91/607525391.db2.gz HLUXUIHQMKEJBJ-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccnc(F)c1 ZINC000826450878 607525393 /nfs/dbraw/zinc/52/53/93/607525393.db2.gz HLUXUIHQMKEJBJ-UHFFFAOYSA-N -1 3 363.696 2.215 20 5 FEBDHM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837289 674515152 /nfs/dbraw/zinc/51/51/52/674515152.db2.gz WVADHUVKEKSJCS-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM COc1ccc(COC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205867 607603928 /nfs/dbraw/zinc/60/39/28/607603928.db2.gz RAHNEXJVVIDETO-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM 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LGPCSQNSPGCRQF-UHFFFAOYSA-N -1 3 358.289 2.175 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000820455312 606424643 /nfs/dbraw/zinc/42/46/43/606424643.db2.gz GQIBBUGHUMJICE-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000820455312 606424645 /nfs/dbraw/zinc/42/46/45/606424645.db2.gz GQIBBUGHUMJICE-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000822230246 606623072 /nfs/dbraw/zinc/62/30/72/606623072.db2.gz AGQCPYJXPCNUHJ-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000822230246 606623074 /nfs/dbraw/zinc/62/30/74/606623074.db2.gz AGQCPYJXPCNUHJ-JTQLQIEISA-N -1 3 354.326 2.396 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCOc2ncccc2Cl)c(-c2nnn[n-]2)c1 ZINC000823639992 606723606 /nfs/dbraw/zinc/72/36/06/606723606.db2.gz OKVIEYDILIOYCN-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCOc2ncccc2Cl)c(-c2nn[n-]n2)c1 ZINC000823639992 606723608 /nfs/dbraw/zinc/72/36/08/606723608.db2.gz OKVIEYDILIOYCN-UHFFFAOYSA-N -1 3 361.749 2.314 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@@H]1COc2ccccc2O1 ZINC000823629673 607039132 /nfs/dbraw/zinc/03/91/32/607039132.db2.gz DVJDGGFXXXOWCO-GFCCVEGCSA-N -1 3 368.353 2.417 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@@H]1COc2ccccc2O1 ZINC000823629673 607039134 /nfs/dbraw/zinc/03/91/34/607039134.db2.gz DVJDGGFXXXOWCO-GFCCVEGCSA-N -1 3 368.353 2.417 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823112349 607086362 /nfs/dbraw/zinc/08/63/62/607086362.db2.gz XYINTDPYINXFDZ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823112349 607086364 /nfs/dbraw/zinc/08/63/64/607086364.db2.gz XYINTDPYINXFDZ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820536038 607139674 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COc1cccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000826215561 608585553 /nfs/dbraw/zinc/58/55/53/608585553.db2.gz SILGHEGORZZQIK-UHFFFAOYSA-N -1 3 365.353 2.082 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1CNc1cccc(-c3nnn[n-]3)c1)OCCO2 ZINC000826498337 608869411 /nfs/dbraw/zinc/86/94/11/608869411.db2.gz QGQNMTRNBYBMQI-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM O=[N+]([O-])c1cc2c(cc1CNc1cccc(-c3nn[n-]n3)c1)OCCO2 ZINC000826498337 608869412 /nfs/dbraw/zinc/86/94/12/608869412.db2.gz QGQNMTRNBYBMQI-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM Cc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC000826336982 609306841 /nfs/dbraw/zinc/30/68/41/609306841.db2.gz WWXWNELWGCOHDF-UHFFFAOYSA-N -1 3 371.382 2.157 20 5 FEBDHM Cc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC000826336982 609306843 /nfs/dbraw/zinc/30/68/43/609306843.db2.gz WWXWNELWGCOHDF-UHFFFAOYSA-N -1 3 371.382 2.157 20 5 FEBDHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564406729 675011251 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O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1 ZINC000161060299 326986549 /nfs/dbraw/zinc/98/65/49/326986549.db2.gz BGAJSUZWQIIHIU-CYBMUJFWSA-N -1 3 370.814 2.130 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000162773145 327034353 /nfs/dbraw/zinc/03/43/53/327034353.db2.gz ZRCJWDBJFJMPAG-YPMHNXCESA-N -1 3 360.819 2.484 20 5 FEBDHM O=C(NCCCN1CCc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164171830 327065871 /nfs/dbraw/zinc/06/58/71/327065871.db2.gz YEZZQPFTCIWTAD-UHFFFAOYSA-N -1 3 355.394 2.479 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000175621951 327402732 /nfs/dbraw/zinc/40/27/32/327402732.db2.gz RYDOWDZJAKQYTI-SECBINFHSA-N -1 3 357.413 2.408 20 5 FEBDHM CCc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000266940251 329274929 /nfs/dbraw/zinc/27/49/29/329274929.db2.gz POYCUCDWWJOTFP-UHFFFAOYSA-N -1 3 360.370 2.057 20 5 FEBDHM COc1cccc([C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N(C)C)c1 ZINC000269159354 329491596 /nfs/dbraw/zinc/49/15/96/329491596.db2.gz WWERVPMQZCDGJU-KRWDZBQOSA-N -1 3 359.382 2.342 20 5 FEBDHM CCOC(=O)c1csc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000269436660 329520001 /nfs/dbraw/zinc/52/00/01/329520001.db2.gz OLHMDUMZYCNSJP-UHFFFAOYSA-N -1 3 353.360 2.327 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC[C@H](C)CO)c1 ZINC000272494822 329785786 /nfs/dbraw/zinc/78/57/86/329785786.db2.gz QLFQFOKUZGCTDV-VIFPVBQESA-N -1 3 350.824 2.244 20 5 FEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000276103682 330119775 /nfs/dbraw/zinc/11/97/75/330119775.db2.gz TZFUQBPSQJJOQM-UHFFFAOYSA-N -1 3 371.393 2.409 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000276236497 330132188 /nfs/dbraw/zinc/13/21/88/330132188.db2.gz PSZFFHWVYIUQPC-LLVKDONJSA-N -1 3 354.384 2.016 20 5 FEBDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000156712926 545650862 /nfs/dbraw/zinc/65/08/62/545650862.db2.gz 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Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c1[N+](=O)[O-] ZINC000481062351 561224248 /nfs/dbraw/zinc/22/42/48/561224248.db2.gz SFDQMCGTTQYGDD-SNVBAGLBSA-N -1 3 370.349 2.457 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1C(C)(C)C1(C)C ZINC000481498680 561234189 /nfs/dbraw/zinc/23/41/89/561234189.db2.gz ZXUMWXVUNZWYRG-UHFFFAOYSA-N -1 3 370.427 2.342 20 5 FEBDHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178746611 546843563 /nfs/dbraw/zinc/84/35/63/546843563.db2.gz JNCKTZKRYSYSKB-GFCCVEGCSA-N -1 3 370.349 2.299 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000178828908 546856926 /nfs/dbraw/zinc/85/69/26/546856926.db2.gz RZUDNOWSFYLBIZ-UHFFFAOYSA-N -1 3 350.824 2.244 20 5 FEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482203836 561250132 /nfs/dbraw/zinc/25/01/32/561250132.db2.gz CTNDUJZEZTUONR-UHFFFAOYSA-N -1 3 372.307 2.240 20 5 FEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482203836 561250133 /nfs/dbraw/zinc/25/01/33/561250133.db2.gz CTNDUJZEZTUONR-UHFFFAOYSA-N -1 3 372.307 2.240 20 5 FEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482203836 561250134 /nfs/dbraw/zinc/25/01/34/561250134.db2.gz CTNDUJZEZTUONR-UHFFFAOYSA-N -1 3 372.307 2.240 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c1 ZINC000182522188 547507588 /nfs/dbraw/zinc/50/75/88/547507588.db2.gz LDQCARAPEOEKIL-UHFFFAOYSA-N -1 3 373.862 2.462 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1CNCC[N-]S(=O)(=O)c1cccs1 ZINC000183610726 547689617 /nfs/dbraw/zinc/68/96/17/547689617.db2.gz MHPKNQMYIMHRHU-UHFFFAOYSA-N -1 3 355.441 2.033 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000190952909 548337318 /nfs/dbraw/zinc/33/73/18/548337318.db2.gz GZGDHIOLPKAKDH-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM C[C@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000194035950 548425891 /nfs/dbraw/zinc/42/58/91/548425891.db2.gz QESAJOOGAYVKHK-LJQANCHMSA-N -1 3 370.409 2.480 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Cl)c1 ZINC000245531280 548940261 /nfs/dbraw/zinc/94/02/61/548940261.db2.gz GXWUCXAXIHUCGT-ZLKJLUDKSA-N -1 3 372.830 2.484 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000249339500 549582538 /nfs/dbraw/zinc/58/25/38/549582538.db2.gz DDQLFVZMEODLCL-KCPJHIHWSA-N -1 3 354.428 2.303 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000490083809 561426088 /nfs/dbraw/zinc/42/60/88/561426088.db2.gz FWGHZRUJXIWGAK-ZDUSSCGKSA-N -1 3 362.473 2.430 20 5 FEBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000490568129 561435362 /nfs/dbraw/zinc/43/53/62/561435362.db2.gz QBWWMWCPAHESTO-UHFFFAOYSA-N -1 3 369.428 2.162 20 5 FEBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000490568129 561435363 /nfs/dbraw/zinc/43/53/63/561435363.db2.gz QBWWMWCPAHESTO-UHFFFAOYSA-N -1 3 369.428 2.162 20 5 FEBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000490647974 561436757 /nfs/dbraw/zinc/43/67/57/561436757.db2.gz UBZSAAVGLCESTH-UHFFFAOYSA-N -1 3 374.415 2.004 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CC2)c(C(F)(F)F)c1 ZINC000269456917 550198343 /nfs/dbraw/zinc/19/83/43/550198343.db2.gz FTIAQAXHPOZICD-UHFFFAOYSA-N -1 3 368.333 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)cc1C ZINC000270611052 550289056 /nfs/dbraw/zinc/28/90/56/550289056.db2.gz YFEAPJGOSFDHMU-LLVKDONJSA-N -1 3 367.431 2.493 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H](O)C(F)(F)F ZINC000272105077 550423082 /nfs/dbraw/zinc/42/30/82/550423082.db2.gz HVLDDWKFMPDENE-KCJUWKMLSA-N -1 3 374.312 2.022 20 5 FEBDHM O=[N+]([O-])c1cc2ccccc2nc1[N-]c1cnn(CCN2CCOCC2)c1 ZINC000276635169 550580085 /nfs/dbraw/zinc/58/00/85/550580085.db2.gz ORHYQYXCNVODJB-UHFFFAOYSA-N -1 3 368.397 2.415 20 5 FEBDHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000281105875 551063840 /nfs/dbraw/zinc/06/38/40/551063840.db2.gz WPXHWHNTUUNTFO-SJCJKPOMSA-N -1 3 358.354 2.332 20 5 FEBDHM CC(C)(C)n1ncnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000282725388 551263794 /nfs/dbraw/zinc/26/37/94/551263794.db2.gz QPGWCTJVMRVQEV-UHFFFAOYSA-N -1 3 353.329 2.350 20 5 FEBDHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000282775736 551268939 /nfs/dbraw/zinc/26/89/39/551268939.db2.gz OQFRWPMUUVJCGC-CYBMUJFWSA-N -1 3 370.818 2.338 20 5 FEBDHM O=C(Nc1nc(C2CCOCC2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000286205518 551860990 /nfs/dbraw/zinc/86/09/90/551860990.db2.gz BEQGNYRIRNTOFC-UHFFFAOYSA-N -1 3 350.356 2.298 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC000500965087 561586632 /nfs/dbraw/zinc/58/66/32/561586632.db2.gz NCPRXIGTPGAPKO-SWLSCSKDSA-N -1 3 372.443 2.035 20 5 FEBDHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295410625 553001754 /nfs/dbraw/zinc/00/17/54/553001754.db2.gz HREYBNXTBIECHP-QMMMGPOBSA-N -1 3 370.349 2.441 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@@H](O)C(F)F ZINC000295884311 553071336 /nfs/dbraw/zinc/07/13/36/553071336.db2.gz ZZZAIPWNCYEQSR-WRWORJQWSA-N -1 3 372.777 2.240 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(-c2ncccn2)c1 ZINC000301688365 553671774 /nfs/dbraw/zinc/67/17/74/553671774.db2.gz MOAVCDLSFGLPFE-UHFFFAOYSA-N -1 3 362.147 2.472 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000326104117 553779192 /nfs/dbraw/zinc/77/91/92/553779192.db2.gz BECXRRQJVJSFNK-NSHDSACASA-N -1 3 358.416 2.484 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)OC1(C)C ZINC000330693402 554158587 /nfs/dbraw/zinc/15/85/87/554158587.db2.gz HVXJAUNMXVJBSB-CYBMUJFWSA-N -1 3 358.416 2.228 20 5 FEBDHM Cc1c(C(=O)NCCCNC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000508380010 561760791 /nfs/dbraw/zinc/76/07/91/561760791.db2.gz CLZLZXGIZWFVPU-UHFFFAOYSA-N -1 3 357.366 2.159 20 5 FEBDHM Cc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000508390388 561760995 /nfs/dbraw/zinc/76/09/95/561760995.db2.gz PZFUXVBZUNVHQJ-UHFFFAOYSA-N -1 3 357.366 2.159 20 5 FEBDHM Cc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000508395883 561761251 /nfs/dbraw/zinc/76/12/51/561761251.db2.gz FBVAVPFUAGCYQD-UHFFFAOYSA-N -1 3 357.366 2.159 20 5 FEBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280512 554240636 /nfs/dbraw/zinc/24/06/36/554240636.db2.gz FFAYUIZPGLSDNT-VXGBXAGGSA-N -1 3 359.423 2.133 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccncc1F ZINC000510621214 561840744 /nfs/dbraw/zinc/84/07/44/561840744.db2.gz FGXHJEOVUAVCDI-VIFPVBQESA-N -1 3 355.347 2.177 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1c(F)cncc1F ZINC000511030850 561854277 /nfs/dbraw/zinc/85/42/77/561854277.db2.gz PEQHCRMYLIZXEJ-MRVPVSSYSA-N -1 3 373.337 2.316 20 5 FEBDHM CS(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1[N+](=O)[O-] ZINC000350583643 554800022 /nfs/dbraw/zinc/80/00/22/554800022.db2.gz OTBZULKJHOQORY-UHFFFAOYSA-N -1 3 361.335 2.421 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)cc1C ZINC000364857366 555416828 /nfs/dbraw/zinc/41/68/28/555416828.db2.gz PQNHHPQYIBDTBE-UHFFFAOYSA-N -1 3 354.428 2.449 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC000366139453 555762325 /nfs/dbraw/zinc/76/23/25/555762325.db2.gz CZCRSAWWDWGXBE-UHFFFAOYSA-N -1 3 351.322 2.301 20 5 FEBDHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413613 556301197 /nfs/dbraw/zinc/30/11/97/556301197.db2.gz SLJAWBCYIUQHLC-GFCCVEGCSA-N -1 3 367.365 2.110 20 5 FEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CCN(c3ccncc3)CC2)n1 ZINC000518540631 562114069 /nfs/dbraw/zinc/11/40/69/562114069.db2.gz UZSJSIBVLAYXIJ-UHFFFAOYSA-N -1 3 357.370 2.412 20 5 FEBDHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000519792143 562144046 /nfs/dbraw/zinc/14/40/46/562144046.db2.gz SGLDMXKQXXVPDF-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000519792143 562144047 /nfs/dbraw/zinc/14/40/47/562144047.db2.gz SGLDMXKQXXVPDF-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000408026496 558639549 /nfs/dbraw/zinc/63/95/49/558639549.db2.gz YMCZHGQAFOMJSZ-GHMZBOCLSA-N -1 3 356.400 2.223 20 5 FEBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000525184610 562242160 /nfs/dbraw/zinc/24/21/60/562242160.db2.gz MOZSUVXJPNILSO-UHFFFAOYSA-N -1 3 367.358 2.171 20 5 FEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000416360864 559307437 /nfs/dbraw/zinc/30/74/37/559307437.db2.gz LKOMNQIFPFXVBW-SECBINFHSA-N -1 3 354.306 2.071 20 5 FEBDHM C[C@H](CCCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416421466 559311931 /nfs/dbraw/zinc/31/19/31/559311931.db2.gz CNGXNYIOHKHOME-MRVPVSSYSA-N -1 3 356.322 2.053 20 5 FEBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455945 559314099 /nfs/dbraw/zinc/31/40/99/559314099.db2.gz KWIKFKQLOLHKJO-UFBFGSQYSA-N -1 3 368.333 2.459 20 5 FEBDHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416476740 559316138 /nfs/dbraw/zinc/31/61/38/559316138.db2.gz OPKAKGRFJYSYLS-QMMMGPOBSA-N -1 3 356.322 2.053 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000416504810 559318312 /nfs/dbraw/zinc/31/83/12/559318312.db2.gz YHVDIIVUUZYODQ-NSHDSACASA-N -1 3 358.416 2.087 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC000416510201 559318686 /nfs/dbraw/zinc/31/86/86/559318686.db2.gz HPVFTYOEWUAEMS-OAHLLOKOSA-N -1 3 368.411 2.238 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000416592437 559323720 /nfs/dbraw/zinc/32/37/20/559323720.db2.gz KZGFEQWNMRMMPF-MEBBXXQBSA-N -1 3 358.416 2.085 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)[C@@H]1CC1(C)C ZINC000416641808 559326986 /nfs/dbraw/zinc/32/69/86/559326986.db2.gz DZQOLJPNHHXILV-STQMWFEESA-N -1 3 370.427 2.484 20 5 FEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425368050 559698468 /nfs/dbraw/zinc/69/84/68/559698468.db2.gz DGXMVJZPUFLREU-QGZVFWFLSA-N -1 3 350.415 2.348 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc([O-])c3nc(C)ccc23)c1 ZINC000427247718 559751416 /nfs/dbraw/zinc/75/14/16/559751416.db2.gz CGIKMTNRBXIHKW-UHFFFAOYSA-N -1 3 369.333 2.154 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000427274681 559751913 /nfs/dbraw/zinc/75/19/13/559751913.db2.gz QOZWJEFTDBQBAR-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000428545812 559777708 /nfs/dbraw/zinc/77/77/08/559777708.db2.gz LCLLGVJIGINBMY-AWEZNQCLSA-N -1 3 357.366 2.119 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1 ZINC000431086756 559833830 /nfs/dbraw/zinc/83/38/30/559833830.db2.gz SCEUDFAPELGLKY-HNNXBMFYSA-N -1 3 364.423 2.033 20 5 FEBDHM CCc1onc(C)c1[N-]C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431798761 559846196 /nfs/dbraw/zinc/84/61/96/559846196.db2.gz RBIBWGBVBQRKDV-UHFFFAOYSA-N -1 3 372.337 2.359 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(Br)ccn1 ZINC000432281800 559855499 /nfs/dbraw/zinc/85/54/99/559855499.db2.gz ZCQPOGYZUGRRDC-UHFFFAOYSA-N -1 3 372.200 2.231 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000432661067 559862698 /nfs/dbraw/zinc/86/26/98/559862698.db2.gz VTFOFSPHDJBCIS-UHFFFAOYSA-N -1 3 350.356 2.144 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)cc1C ZINC000433368273 559878848 /nfs/dbraw/zinc/87/88/48/559878848.db2.gz WRCARQBASKZVNK-UHFFFAOYSA-N -1 3 368.455 2.433 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C ZINC000443232239 560075569 /nfs/dbraw/zinc/07/55/69/560075569.db2.gz BMBBZZMQAPZQTD-HNNXBMFYSA-N -1 3 360.432 2.069 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443262609 560076687 /nfs/dbraw/zinc/07/66/87/560076687.db2.gz NWYICZSEDIXPKS-GFCCVEGCSA-N -1 3 372.349 2.193 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000443290120 560078129 /nfs/dbraw/zinc/07/81/29/560078129.db2.gz OEMSSTSNFXPSOU-CQSZACIVSA-N -1 3 372.443 2.213 20 5 FEBDHM CCc1[nH]nc(C(=O)[N-]c2nc(C(=O)OC)c(C3CC3)s2)c1[N+](=O)[O-] ZINC000444403879 560113167 /nfs/dbraw/zinc/11/31/67/560113167.db2.gz JRJWFIVWOAGOAR-UHFFFAOYSA-N -1 3 365.371 2.253 20 5 FEBDHM Cn1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000447021582 560155259 /nfs/dbraw/zinc/15/52/59/560155259.db2.gz TVIOAUXIUFTXNT-UHFFFAOYSA-N -1 3 374.216 2.174 20 5 FEBDHM Cc1cc([C@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000447578513 560164857 /nfs/dbraw/zinc/16/48/57/560164857.db2.gz FXUVGOOYCVUFEP-LBPRGKRZSA-N -1 3 367.427 2.434 20 5 FEBDHM CC[C@H](CC(C)C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449889817 560244369 /nfs/dbraw/zinc/24/43/69/560244369.db2.gz RHLIIFSQNRCNMT-CYBMUJFWSA-N -1 3 371.459 2.062 20 5 FEBDHM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000451746534 560326183 /nfs/dbraw/zinc/32/61/83/560326183.db2.gz INNGZBRGVQCEQI-RYUDHWBXSA-N -1 3 370.427 2.486 20 5 FEBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451936568 560339231 /nfs/dbraw/zinc/33/92/31/560339231.db2.gz YGUPIBYSRFIYEO-LBPRGKRZSA-N -1 3 352.416 2.468 20 5 FEBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000464183524 560834969 /nfs/dbraw/zinc/83/49/69/560834969.db2.gz BMGUHQFAWQRYPQ-UHFFFAOYSA-N -1 3 354.771 2.409 20 5 FEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c1 ZINC000466520285 560888771 /nfs/dbraw/zinc/88/87/71/560888771.db2.gz COMQFCUULRDHIF-AWEZNQCLSA-N -1 3 352.343 2.287 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(F)c1 ZINC000467777769 560917147 /nfs/dbraw/zinc/91/71/47/560917147.db2.gz NIQKTVBEHJKACC-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000468953498 560943257 /nfs/dbraw/zinc/94/32/57/560943257.db2.gz JSVHBFNRQXNVJN-NEPJUHHUSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000469070000 560946449 /nfs/dbraw/zinc/94/64/49/560946449.db2.gz UQYLYUUQUMHQRE-VXGBXAGGSA-N -1 3 370.427 2.486 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(C)C ZINC000469299384 560951967 /nfs/dbraw/zinc/95/19/67/560951967.db2.gz RTZHYUBUZGUPGT-UHFFFAOYSA-N -1 3 358.416 2.342 20 5 FEBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000474175247 561067584 /nfs/dbraw/zinc/06/75/84/561067584.db2.gz BNVSYSUADDQGMW-ZDUSSCGKSA-N -1 3 368.386 2.270 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC2(OC)CCCCC2)c([N+](=O)[O-])c1 ZINC000476215583 561113498 /nfs/dbraw/zinc/11/34/98/561113498.db2.gz IHRFCOXDUDEPAH-UHFFFAOYSA-N -1 3 358.416 2.231 20 5 FEBDHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476949302 561132678 /nfs/dbraw/zinc/13/26/78/561132678.db2.gz IDFZCZBVCDIYTJ-VXGBXAGGSA-N -1 3 370.427 2.471 20 5 FEBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCN(C2CCCCC2)CC1 ZINC000530618036 562417980 /nfs/dbraw/zinc/41/79/80/562417980.db2.gz XAJFESDESOXKMK-UHFFFAOYSA-N -1 3 368.459 2.065 20 5 FEBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000534973025 562546530 /nfs/dbraw/zinc/54/65/30/562546530.db2.gz YZUACXNUPRYTND-UHFFFAOYSA-N -1 3 363.326 2.339 20 5 FEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]n1ccccc1=O ZINC000807199323 674409043 /nfs/dbraw/zinc/40/90/43/674409043.db2.gz XFXBJFFVRZXXDO-UHFFFAOYSA-N -1 3 352.144 2.211 20 5 FEBDHM CC(C)C[C@@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820056546 599104490 /nfs/dbraw/zinc/10/44/90/599104490.db2.gz QLWKHYGPWLHKOG-JTQLQIEISA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)C[C@@H](CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820056546 599104494 /nfs/dbraw/zinc/10/44/94/599104494.db2.gz QLWKHYGPWLHKOG-JTQLQIEISA-N -1 3 357.374 2.142 20 5 FEBDHM CN(C)c1cccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821591010 607306815 /nfs/dbraw/zinc/30/68/15/607306815.db2.gz QEMMWSYKCYRBLJ-UHFFFAOYSA-N -1 3 353.386 2.477 20 5 FEBDHM CN(C)c1cccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821591010 607306816 /nfs/dbraw/zinc/30/68/16/607306816.db2.gz QEMMWSYKCYRBLJ-UHFFFAOYSA-N -1 3 353.386 2.477 20 5 FEBDHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737511247 598339497 /nfs/dbraw/zinc/33/94/97/598339497.db2.gz QMDHQWTUWJDVIY-OAHLLOKOSA-N -1 3 368.401 2.467 20 5 FEBDHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737511247 598339499 /nfs/dbraw/zinc/33/94/99/598339499.db2.gz QMDHQWTUWJDVIY-OAHLLOKOSA-N -1 3 368.401 2.467 20 5 FEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccccc1[N+](=O)[O-] ZINC000738319313 598381337 /nfs/dbraw/zinc/38/13/37/598381337.db2.gz NRXLLMZTSGHNDT-UKTHLTGXSA-N -1 3 362.305 2.119 20 5 FEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccccc1[N+](=O)[O-] ZINC000738319313 598381338 /nfs/dbraw/zinc/38/13/38/598381338.db2.gz NRXLLMZTSGHNDT-UKTHLTGXSA-N -1 3 362.305 2.119 20 5 FEBDHM C[C@H]1c2ccccc2OCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736301769 598500735 /nfs/dbraw/zinc/50/07/35/598500735.db2.gz DZLCZHPLQHMAHF-JTQLQIEISA-N -1 3 353.342 2.130 20 5 FEBDHM C[C@H]1c2ccccc2OCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736301769 598500737 /nfs/dbraw/zinc/50/07/37/598500737.db2.gz DZLCZHPLQHMAHF-JTQLQIEISA-N -1 3 353.342 2.130 20 5 FEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120313 598578273 /nfs/dbraw/zinc/57/82/73/598578273.db2.gz XFLGPPPYULDEIK-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120313 598578275 /nfs/dbraw/zinc/57/82/75/598578275.db2.gz XFLGPPPYULDEIK-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738236473 598584664 /nfs/dbraw/zinc/58/46/64/598584664.db2.gz JQONQQSGLJUXCD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738236473 598584665 /nfs/dbraw/zinc/58/46/65/598584665.db2.gz JQONQQSGLJUXCD-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736191993 598805593 /nfs/dbraw/zinc/80/55/93/598805593.db2.gz JQYBVUWHVUTUNZ-VIFPVBQESA-N -1 3 371.382 2.289 20 5 FEBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736191993 598805594 /nfs/dbraw/zinc/80/55/94/598805594.db2.gz JQYBVUWHVUTUNZ-VIFPVBQESA-N -1 3 371.382 2.289 20 5 FEBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735597843 599304902 /nfs/dbraw/zinc/30/49/02/599304902.db2.gz SPGKJMXUVPNPBH-ZWNOBZJWSA-N -1 3 361.406 2.423 20 5 FEBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735597843 599304904 /nfs/dbraw/zinc/30/49/04/599304904.db2.gz SPGKJMXUVPNPBH-ZWNOBZJWSA-N -1 3 361.406 2.423 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370656 599473278 /nfs/dbraw/zinc/47/32/78/599473278.db2.gz XMGNIKDJYIFMKP-LBPRGKRZSA-N -1 3 369.360 2.378 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370656 599473280 /nfs/dbraw/zinc/47/32/80/599473280.db2.gz XMGNIKDJYIFMKP-LBPRGKRZSA-N -1 3 369.360 2.378 20 5 FEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737852508 599546643 /nfs/dbraw/zinc/54/66/43/599546643.db2.gz MORVPHYACHXFEH-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737852508 599546644 /nfs/dbraw/zinc/54/66/44/599546644.db2.gz MORVPHYACHXFEH-UHFFFAOYSA-N -1 3 364.365 2.297 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822271175 599623964 /nfs/dbraw/zinc/62/39/64/599623964.db2.gz PITGHTFWYHLNSP-UHFFFAOYSA-N -1 3 369.337 2.319 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826246203 607431182 /nfs/dbraw/zinc/43/11/82/607431182.db2.gz WAJKLYLRDGHDCU-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826246203 607431183 /nfs/dbraw/zinc/43/11/83/607431183.db2.gz WAJKLYLRDGHDCU-UHFFFAOYSA-N -1 3 350.338 2.286 20 5 FEBDHM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCOC3)CC2)cc1Cl ZINC000833306734 604271356 /nfs/dbraw/zinc/27/13/56/604271356.db2.gz DHJIWMJPZYFDRD-NSHDSACASA-N -1 3 369.805 2.105 20 5 FEBDHM CN(Cc1nccs1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821618065 606045184 /nfs/dbraw/zinc/04/51/84/606045184.db2.gz OVCWCDNGJOOQNW-UHFFFAOYSA-N -1 3 368.382 2.416 20 5 FEBDHM CN(Cc1nccs1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821618065 606045189 /nfs/dbraw/zinc/04/51/89/606045189.db2.gz OVCWCDNGJOOQNW-UHFFFAOYSA-N -1 3 368.382 2.416 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822201064 606254943 /nfs/dbraw/zinc/25/49/43/606254943.db2.gz PDNKUFUCRHODBB-UHFFFAOYSA-N -1 3 362.733 2.294 20 5 FEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822201064 606254944 /nfs/dbraw/zinc/25/49/44/606254944.db2.gz PDNKUFUCRHODBB-UHFFFAOYSA-N -1 3 362.733 2.294 20 5 FEBDHM O=[N+]([O-])c1ccn(CCSc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000823646944 606328356 /nfs/dbraw/zinc/32/83/56/606328356.db2.gz DPNDEGXEMFLMDU-UHFFFAOYSA-N -1 3 372.414 2.038 20 5 FEBDHM O=[N+]([O-])c1ccn(CCSc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000823646944 606328358 /nfs/dbraw/zinc/32/83/58/606328358.db2.gz DPNDEGXEMFLMDU-UHFFFAOYSA-N -1 3 372.414 2.038 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822271424 606638713 /nfs/dbraw/zinc/63/87/13/606638713.db2.gz ZOYJKAVRDKWEMY-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822271424 606638714 /nfs/dbraw/zinc/63/87/14/606638714.db2.gz ZOYJKAVRDKWEMY-UHFFFAOYSA-N -1 3 367.369 2.442 20 5 FEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821609748 606861432 /nfs/dbraw/zinc/86/14/32/606861432.db2.gz KFASUZVFMZHFDH-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821609748 606861434 /nfs/dbraw/zinc/86/14/34/606861434.db2.gz KFASUZVFMZHFDH-UHFFFAOYSA-N -1 3 356.317 2.186 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](c2ccsc2)C1 ZINC000823629820 606949574 /nfs/dbraw/zinc/94/95/74/606949574.db2.gz IOZPKRSQAKULEA-CQSZACIVSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccsc2)C1 ZINC000823629820 606949575 /nfs/dbraw/zinc/94/95/75/606949575.db2.gz IOZPKRSQAKULEA-CQSZACIVSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823640250 606951361 /nfs/dbraw/zinc/95/13/61/606951361.db2.gz YYGLJZCQASOMTO-NHYWBVRUSA-N -1 3 370.369 2.460 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823640250 606951363 /nfs/dbraw/zinc/95/13/63/606951363.db2.gz YYGLJZCQASOMTO-NHYWBVRUSA-N -1 3 370.369 2.460 20 5 FEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826452031 607933178 /nfs/dbraw/zinc/93/31/78/607933178.db2.gz FVOCMVJHGWOIFE-UHFFFAOYSA-N -1 3 365.353 2.365 20 5 FEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826452031 607933179 /nfs/dbraw/zinc/93/31/79/607933179.db2.gz FVOCMVJHGWOIFE-UHFFFAOYSA-N -1 3 365.353 2.365 20 5 FEBDHM Cc1c(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cccc1[N+](=O)[O-] ZINC000826235906 607954047 /nfs/dbraw/zinc/95/40/47/607954047.db2.gz UIIIBHDQQRQJIP-UHFFFAOYSA-N -1 3 364.365 2.215 20 5 FEBDHM Cc1c(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cccc1[N+](=O)[O-] ZINC000826235906 607954048 /nfs/dbraw/zinc/95/40/48/607954048.db2.gz UIIIBHDQQRQJIP-UHFFFAOYSA-N -1 3 364.365 2.215 20 5 FEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826358326 608143809 /nfs/dbraw/zinc/14/38/09/608143809.db2.gz PASXPEKLKORCKB-UHFFFAOYSA-N -1 3 374.382 2.063 20 5 FEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826358326 608143810 /nfs/dbraw/zinc/14/38/10/608143810.db2.gz PASXPEKLKORCKB-UHFFFAOYSA-N -1 3 374.382 2.063 20 5 FEBDHM C[C@@H](OCC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824728681 608163104 /nfs/dbraw/zinc/16/31/04/608163104.db2.gz GPPWLAFIBDPEII-SSDOTTSWSA-N -1 3 366.765 2.182 20 5 FEBDHM C[C@@H](OCC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824728681 608163106 /nfs/dbraw/zinc/16/31/06/608163106.db2.gz GPPWLAFIBDPEII-SSDOTTSWSA-N -1 3 366.765 2.182 20 5 FEBDHM CSC[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826227697 608163273 /nfs/dbraw/zinc/16/32/73/608163273.db2.gz WCJFDKQYFMMWRE-ZCFIWIBFSA-N -1 3 356.795 2.366 20 5 FEBDHM CSC[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826227697 608163275 /nfs/dbraw/zinc/16/32/75/608163275.db2.gz WCJFDKQYFMMWRE-ZCFIWIBFSA-N -1 3 356.795 2.366 20 5 FEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778221199 608212457 /nfs/dbraw/zinc/21/24/57/608212457.db2.gz AGEAGHLHHNWZRY-UHFFFAOYSA-N -1 3 368.338 2.032 20 5 FEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778221199 608212458 /nfs/dbraw/zinc/21/24/58/608212458.db2.gz AGEAGHLHHNWZRY-UHFFFAOYSA-N -1 3 368.338 2.032 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000826172214 608349750 /nfs/dbraw/zinc/34/97/50/608349750.db2.gz TYGPABLTNMNHTM-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000826172214 608349752 /nfs/dbraw/zinc/34/97/52/608349752.db2.gz TYGPABLTNMNHTM-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480560 608433539 /nfs/dbraw/zinc/43/35/39/608433539.db2.gz YIUIFUFIFVFLMR-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826442518 608575812 /nfs/dbraw/zinc/57/58/12/608575812.db2.gz YIVIHVBHGROMCK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826442518 608575813 /nfs/dbraw/zinc/57/58/13/608575813.db2.gz YIVIHVBHGROMCK-UHFFFAOYSA-N -1 3 358.745 2.358 20 5 FEBDHM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891526 608800173 /nfs/dbraw/zinc/80/01/73/608800173.db2.gz AQPYULMKMNZSKR-UWVGGRQHSA-N -1 3 355.358 2.303 20 5 FEBDHM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824891526 608800176 /nfs/dbraw/zinc/80/01/76/608800176.db2.gz AQPYULMKMNZSKR-UWVGGRQHSA-N -1 3 355.358 2.303 20 5 FEBDHM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269495 609244380 /nfs/dbraw/zinc/24/43/80/609244380.db2.gz OBSXJEIEIBRKBP-LLVKDONJSA-N -1 3 368.353 2.489 20 5 FEBDHM Cc1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826270333 609244768 /nfs/dbraw/zinc/24/47/68/609244768.db2.gz VTWSGAQHSYBEEZ-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc(NC(=O)COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826270333 609244770 /nfs/dbraw/zinc/24/47/70/609244770.db2.gz VTWSGAQHSYBEEZ-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267765 609284520 /nfs/dbraw/zinc/28/45/20/609284520.db2.gz VSKDSIRCJQJFMU-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM Cc1nnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826336894 609320874 /nfs/dbraw/zinc/32/08/74/609320874.db2.gz SUJOQEDDTBBCBO-UHFFFAOYSA-N -1 3 374.792 2.490 20 5 FEBDHM Cc1nnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826336894 609320876 /nfs/dbraw/zinc/32/08/76/609320876.db2.gz SUJOQEDDTBBCBO-UHFFFAOYSA-N -1 3 374.792 2.490 20 5 FEBDHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943153 609474757 /nfs/dbraw/zinc/47/47/57/609474757.db2.gz OSEDYMJJGMEIIC-XFXZXTDPSA-N -1 3 364.365 2.495 20 5 FEBDHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943153 609474758 /nfs/dbraw/zinc/47/47/58/609474758.db2.gz OSEDYMJJGMEIIC-XFXZXTDPSA-N -1 3 364.365 2.495 20 5 FEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C ZINC000815018453 674897894 /nfs/dbraw/zinc/89/78/94/674897894.db2.gz QBSFRIFGFXYWGN-RKDXNWHRSA-N -1 3 365.814 2.148 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000566059816 675176544 /nfs/dbraw/zinc/17/65/44/675176544.db2.gz COWLGVDMMXJXDF-UHFFFAOYSA-N -1 3 354.306 2.223 20 5 FEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000579225802 671720696 /nfs/dbraw/zinc/72/06/96/671720696.db2.gz NWVWEIWYSOIGKT-UHFFFAOYSA-N -1 3 353.400 2.495 20 5 FEBDHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000579737800 671757353 /nfs/dbraw/zinc/75/73/53/671757353.db2.gz KJOSLBAHEOJSNJ-SSDOTTSWSA-N -1 3 355.185 2.384 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)nc1 ZINC000593547808 672939544 /nfs/dbraw/zinc/93/95/44/672939544.db2.gz ZKEFJRPGDWYJAS-UHFFFAOYSA-N -1 3 354.413 2.194 20 5 FEBDHM CC[C@@H](OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593627639 672962572 /nfs/dbraw/zinc/96/25/72/672962572.db2.gz XIIOFCRBXQMGLZ-OAHLLOKOSA-N -1 3 365.411 2.436 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000725991863 673100347 /nfs/dbraw/zinc/10/03/47/673100347.db2.gz CDGKFWRFNKSBLG-UHFFFAOYSA-N -1 3 368.342 2.462 20 5 FEBDHM COc1cc(CNCc2cnc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1[O-] ZINC000594949634 673179970 /nfs/dbraw/zinc/17/99/70/673179970.db2.gz FNRDQUGGXUVZGW-UHFFFAOYSA-N -1 3 358.276 2.408 20 5 FEBDHM O=c1[n-]ccc(NCCCS(=O)(=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000596075113 673356370 /nfs/dbraw/zinc/35/63/70/673356370.db2.gz WYZZMYAVYLIXQR-UHFFFAOYSA-N -1 3 351.384 2.112 20 5 FEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCCC1 ZINC000599392768 673668694 /nfs/dbraw/zinc/66/86/94/673668694.db2.gz ZZOCXLKDFOXKFN-ZDUSSCGKSA-N -1 3 371.434 2.419 20 5 FEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000599511324 673686777 /nfs/dbraw/zinc/68/67/77/673686777.db2.gz KCACPWAEZAWGEB-XWEPSHTISA-N -1 3 354.306 2.069 20 5 FEBDHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000546888929 673826020 /nfs/dbraw/zinc/82/60/20/673826020.db2.gz AUXOUWKPVBBTSL-LLVKDONJSA-N -1 3 364.807 2.258 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC2CCC2)c(C(F)(F)F)c1 ZINC000746671646 673889178 /nfs/dbraw/zinc/88/91/78/673889178.db2.gz LHHJPFJKRWCXEY-UHFFFAOYSA-N -1 3 368.333 2.461 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nccs1 ZINC000619485117 676380098 /nfs/dbraw/zinc/38/00/98/676380098.db2.gz KIVPQNVBWDBLJD-VIFPVBQESA-N -1 3 357.413 2.490 20 5 FEBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC000830644687 677052207 /nfs/dbraw/zinc/05/22/07/677052207.db2.gz ZKMPGJFRYYNYLS-UHFFFAOYSA-N -1 3 358.807 2.273 20 5 FEBDHM CC(C)c1nnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000848589958 681584877 /nfs/dbraw/zinc/58/48/77/681584877.db2.gz IUDNCRRFAKZRIG-UHFFFAOYSA-N -1 3 355.301 2.124 20 5 FEBDHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849412529 681720807 /nfs/dbraw/zinc/72/08/07/681720807.db2.gz QAGCEQUGCHMUGX-NSHDSACASA-N -1 3 361.851 2.399 20 5 FEBDHM COCc1nc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])sc1C(=O)OC ZINC000791340636 682736353 /nfs/dbraw/zinc/73/63/53/682736353.db2.gz WQNQDFDFJMXKCY-UHFFFAOYSA-N -1 3 369.330 2.376 20 5 FEBDHM CCOC(=O)[C@H](CSC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928293838 683428825 /nfs/dbraw/zinc/42/88/25/683428825.db2.gz SQRAKTVYZMEMCB-NSHDSACASA-N -1 3 362.354 2.098 20 5 FEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000921617657 683522530 /nfs/dbraw/zinc/52/25/30/683522530.db2.gz QBMRVOFGLYLHCZ-JGVFFNPUSA-N -1 3 354.306 2.080 20 5 FEBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000910456437 685058867 /nfs/dbraw/zinc/05/88/67/685058867.db2.gz ONHFWPINBFCIOI-SNVBAGLBSA-N -1 3 359.329 2.181 20 5 FEBDHM COc1c([O-])ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1[N+](=O)[O-] ZINC000894404561 689525347 /nfs/dbraw/zinc/52/53/47/689525347.db2.gz FUUHOSJJPSRXDR-KCJUWKMLSA-N -1 3 350.293 2.461 20 5 FEBDHM CC(=O)c1sc2[n-]c(Cn3nc(C)c([N+](=O)[O-])c3C)nc(=O)c2c1C ZINC000007138486 539449367 /nfs/dbraw/zinc/44/93/67/539449367.db2.gz DBEOMPYUXYUVLX-UHFFFAOYSA-N -1 3 361.383 2.265 20 5 FEBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000024258436 539728974 /nfs/dbraw/zinc/72/89/74/539728974.db2.gz HDTXTQYTLCMVQX-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000026829172 539794207 /nfs/dbraw/zinc/79/42/07/539794207.db2.gz ZBEMROKUBIENFU-MRVPVSSYSA-N -1 3 358.807 2.330 20 5 FEBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000030493804 539882786 /nfs/dbraw/zinc/88/27/86/539882786.db2.gz RUDBXFULESYUML-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM CN(C)c1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032438004 539939085 /nfs/dbraw/zinc/93/90/85/539939085.db2.gz BCXYNPNVRJPJJG-UHFFFAOYSA-N -1 3 370.818 2.188 20 5 FEBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000053670851 540548688 /nfs/dbraw/zinc/54/86/88/540548688.db2.gz CXSMFGYENWQXTB-UHFFFAOYSA-N -1 3 366.395 2.481 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000056068631 540699351 /nfs/dbraw/zinc/69/93/51/540699351.db2.gz GSJDBIFJBVPMHP-UHFFFAOYSA-N -1 3 366.395 2.133 20 5 FEBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000056042046 540696431 /nfs/dbraw/zinc/69/64/31/540696431.db2.gz SKEPVCNNRMXYFU-MRVPVSSYSA-N -1 3 358.807 2.330 20 5 FEBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-]CC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000058543883 540848341 /nfs/dbraw/zinc/84/83/41/540848341.db2.gz QLRMWEPPHVXWGX-UHFFFAOYSA-N -1 3 366.374 2.165 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccnc2N(C)C)cc1C ZINC000060499763 541114512 /nfs/dbraw/zinc/11/45/12/541114512.db2.gz BOMXEOMVCONEBW-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)cc1C ZINC000060497054 541114609 /nfs/dbraw/zinc/11/46/09/541114609.db2.gz JSITXCJHSRBDEF-CQSZACIVSA-N -1 3 367.427 2.386 20 5 FEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000064242635 541196213 /nfs/dbraw/zinc/19/62/13/541196213.db2.gz UIGCQVGKLCAPLA-VIFPVBQESA-N -1 3 361.470 2.299 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCO2 ZINC000066327552 541302769 /nfs/dbraw/zinc/30/27/69/541302769.db2.gz XNROSYLXWUQSPJ-QMMMGPOBSA-N -1 3 356.381 2.425 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000067055578 541410564 /nfs/dbraw/zinc/41/05/64/541410564.db2.gz ZAVXQRVCQUMCQL-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000068346039 541580128 /nfs/dbraw/zinc/58/01/28/541580128.db2.gz AOHATEPQAALBOX-UHFFFAOYSA-N -1 3 361.423 2.197 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000072728890 541858833 /nfs/dbraw/zinc/85/88/33/541858833.db2.gz WKZSMJCHLNXHGW-OLZOCXBDSA-N -1 3 350.400 2.254 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000092268864 542853118 /nfs/dbraw/zinc/85/31/18/542853118.db2.gz RNUYFDBKRLVNSY-UHFFFAOYSA-N -1 3 362.407 2.439 20 5 FEBDHM COCc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000107702735 543276365 /nfs/dbraw/zinc/27/63/65/543276365.db2.gz HASKXGNGWAARNV-UHFFFAOYSA-N -1 3 354.359 2.359 20 5 FEBDHM NC(=O)c1ccc(CSc2n[n-]c(-c3ccccn3)n2)c([N+](=O)[O-])c1 ZINC000117113000 543623132 /nfs/dbraw/zinc/62/31/32/543623132.db2.gz OJVFAPIXNQSDJN-UHFFFAOYSA-N -1 3 356.367 2.166 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCCCC1 ZINC000123744540 543780550 /nfs/dbraw/zinc/78/05/50/543780550.db2.gz KUOFQRLTYHNAIU-LBPRGKRZSA-N -1 3 359.423 2.134 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000127772544 544012743 /nfs/dbraw/zinc/01/27/43/544012743.db2.gz NZMXYZPMMKOGID-FZMZJTMJSA-N -1 3 360.407 2.344 20 5 FEBDHM COc1cccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000185173310 327903972 /nfs/dbraw/zinc/90/39/72/327903972.db2.gz WTKOKOHRUKTVFQ-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188133073 328068411 /nfs/dbraw/zinc/06/84/11/328068411.db2.gz KLWIQYKMEPXKNH-WDEREUQCSA-N -1 3 368.333 2.051 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191873418 328286193 /nfs/dbraw/zinc/28/61/93/328286193.db2.gz RRBRIDXNAFDJQF-UHFFFAOYSA-N -1 3 365.411 2.484 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119539692 326173342 /nfs/dbraw/zinc/17/33/42/326173342.db2.gz LAKYVJXXUQGNBH-UHFFFAOYSA-N -1 3 365.411 2.484 20 5 FEBDHM Cc1nc(C2([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000151766379 326690593 /nfs/dbraw/zinc/69/05/93/326690593.db2.gz SMLVGGJSOPMAQU-UHFFFAOYSA-N -1 3 366.399 2.175 20 5 FEBDHM C[S@](=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000157251353 326859769 /nfs/dbraw/zinc/85/97/69/326859769.db2.gz CSBYEYSYBWUKTK-HSZRJFAPSA-N -1 3 368.436 2.317 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000164140379 327065294 /nfs/dbraw/zinc/06/52/94/327065294.db2.gz GNFWNIVKVTZSFW-ZDUSSCGKSA-N -1 3 354.384 2.037 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCN(C2CC2)C1 ZINC000173023962 327231032 /nfs/dbraw/zinc/23/10/32/327231032.db2.gz YIWXOEILHMGCRU-SNVBAGLBSA-N -1 3 359.835 2.011 20 5 FEBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173310094 327249003 /nfs/dbraw/zinc/24/90/03/327249003.db2.gz AFUHXCYCKYEQTI-UHFFFAOYSA-N -1 3 366.443 2.475 20 5 FEBDHM C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1Cc1ccccc1 ZINC000175272171 327383818 /nfs/dbraw/zinc/38/38/18/327383818.db2.gz JJJUPJPBRLOUFI-DZGCQCFKSA-N -1 3 370.409 2.478 20 5 FEBDHM Cc1ccc([C@@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000177850166 327549015 /nfs/dbraw/zinc/54/90/15/327549015.db2.gz TUMDOQJRMONMRJ-LLVKDONJSA-N -1 3 358.398 2.413 20 5 FEBDHM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC000266209376 329200932 /nfs/dbraw/zinc/20/09/32/329200932.db2.gz MEEOSCDFUKCMGI-GFCCVEGCSA-N -1 3 365.415 2.215 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000267933872 329369733 /nfs/dbraw/zinc/36/97/33/329369733.db2.gz PIALBOCQYXVBKW-UHFFFAOYSA-N -1 3 367.383 2.307 20 5 FEBDHM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000269723409 329543409 /nfs/dbraw/zinc/54/34/09/329543409.db2.gz PYRHCSLIMSNCKQ-AWEZNQCLSA-N -1 3 366.395 2.005 20 5 FEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271290247 329680549 /nfs/dbraw/zinc/68/05/49/329680549.db2.gz RUBPXRYXJDJYQB-DTWKUNHWSA-N -1 3 368.333 2.459 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@@H](O)C(F)(F)F ZINC000272105076 329752509 /nfs/dbraw/zinc/75/25/09/329752509.db2.gz HVLDDWKFMPDENE-GZMMTYOYSA-N -1 3 374.312 2.022 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000272412041 329779006 /nfs/dbraw/zinc/77/90/06/329779006.db2.gz CLSNSKNGYHYUGK-NSHDSACASA-N -1 3 374.802 2.470 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000273158125 329841856 /nfs/dbraw/zinc/84/18/56/329841856.db2.gz NBAOCAVHQNFSRH-NSHDSACASA-N -1 3 354.384 2.016 20 5 FEBDHM CS(=O)(=O)Cc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000477841459 561154359 /nfs/dbraw/zinc/15/43/59/561154359.db2.gz AFWPAFSCMQEZIM-UHFFFAOYSA-N -1 3 374.378 2.268 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000478129742 561160552 /nfs/dbraw/zinc/16/05/52/561160552.db2.gz BUCRJLRPFDKRIF-UHFFFAOYSA-N -1 3 369.374 2.133 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000159577521 545964379 /nfs/dbraw/zinc/96/43/79/545964379.db2.gz FISYZIRYFMNLCA-HNNXBMFYSA-N -1 3 363.414 2.017 20 5 FEBDHM COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(OC)c1[O-] ZINC000479350935 561187775 /nfs/dbraw/zinc/18/77/75/561187775.db2.gz ZMWTXFDQNITTHB-UHFFFAOYSA-N -1 3 361.354 2.160 20 5 FEBDHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480690191 561214560 /nfs/dbraw/zinc/21/45/60/561214560.db2.gz ANEARPZBGIAXDI-VXGBXAGGSA-N -1 3 358.416 2.078 20 5 FEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1C ZINC000481034910 561223471 /nfs/dbraw/zinc/22/34/71/561223471.db2.gz JWQOPDVMZDLMEE-UHFFFAOYSA-N -1 3 350.400 2.473 20 5 FEBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179049804 546891883 /nfs/dbraw/zinc/89/18/83/546891883.db2.gz ZNPAXYFCIWJAIQ-UHFFFAOYSA-N -1 3 356.363 2.091 20 5 FEBDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000180829561 547187155 /nfs/dbraw/zinc/18/71/55/547187155.db2.gz PKVOLCXKMYAOTI-GFCCVEGCSA-N -1 3 369.468 2.455 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C[C@H](C)O)c1 ZINC000183717449 547706793 /nfs/dbraw/zinc/70/67/93/547706793.db2.gz MFLMLLFZFLIWRT-UWVGGRQHSA-N -1 3 350.824 2.242 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000184050224 547760526 /nfs/dbraw/zinc/76/05/26/547760526.db2.gz WFRBLZUZJCEIKO-MRVPVSSYSA-N -1 3 350.306 2.376 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[n-]n1 ZINC000184050224 547760530 /nfs/dbraw/zinc/76/05/30/547760530.db2.gz WFRBLZUZJCEIKO-MRVPVSSYSA-N -1 3 350.306 2.376 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000486825203 561357597 /nfs/dbraw/zinc/35/75/97/561357597.db2.gz SXMCGLCFEAMRAI-BZBKMWRSSA-N -1 3 361.217 2.434 20 5 FEBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000491578349 561446671 /nfs/dbraw/zinc/44/66/71/561446671.db2.gz FXPOOFONHCVHNL-UHFFFAOYSA-N -1 3 367.358 2.250 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269715290 550219670 /nfs/dbraw/zinc/21/96/70/550219670.db2.gz APTBOPDWFACUHU-CQSZACIVSA-N -1 3 366.395 2.005 20 5 FEBDHM C[C@H]1[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494039913 561461229 /nfs/dbraw/zinc/46/12/29/561461229.db2.gz VZWHJVJZYUAASD-SWLSCSKDSA-N -1 3 356.382 2.088 20 5 FEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000274616580 550546181 /nfs/dbraw/zinc/54/61/81/550546181.db2.gz JKMDJXNAMHPQNY-ZDUSSCGKSA-N -1 3 368.390 2.132 20 5 FEBDHM CCOc1cc([N-]C(=O)c2cncc(OC)n2)c([N+](=O)[O-])cc1OCC ZINC000276765425 550593378 /nfs/dbraw/zinc/59/33/78/550593378.db2.gz NHMNRZMJCRPJBW-UHFFFAOYSA-N -1 3 362.342 2.443 20 5 FEBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000276799522 550597217 /nfs/dbraw/zinc/59/72/17/550597217.db2.gz GEKUFWOYVOMYBF-ZJUUUORDSA-N -1 3 353.404 2.266 20 5 FEBDHM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000276799522 550597219 /nfs/dbraw/zinc/59/72/19/550597219.db2.gz GEKUFWOYVOMYBF-ZJUUUORDSA-N -1 3 353.404 2.266 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([C@H]2CCCOC2)n[nH]1 ZINC000280412945 550990910 /nfs/dbraw/zinc/99/09/10/550990910.db2.gz YPTNLNWMKZNEEH-NSHDSACASA-N -1 3 366.399 2.321 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)c1C ZINC000282191343 551192892 /nfs/dbraw/zinc/19/28/92/551192892.db2.gz FCXAORPEWZUXTA-UHFFFAOYSA-N -1 3 367.431 2.037 20 5 FEBDHM CCn1cc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cn1 ZINC000285241166 551724975 /nfs/dbraw/zinc/72/49/75/551724975.db2.gz BRGYQMDIOKYBRI-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000289587028 552345033 /nfs/dbraw/zinc/34/50/33/552345033.db2.gz VOACDYUCMRNKGW-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296751623 553206854 /nfs/dbraw/zinc/20/68/54/553206854.db2.gz PSNCQKZXICSYTL-LLVKDONJSA-N -1 3 351.384 2.428 20 5 FEBDHM CN(C)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301055771 553617656 /nfs/dbraw/zinc/61/76/56/553617656.db2.gz IAMMELAQWUBVNL-UHFFFAOYSA-N -1 3 364.427 2.369 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C ZINC000325979330 553778743 /nfs/dbraw/zinc/77/87/43/553778743.db2.gz YQDQMSYIQAKFCB-GHMZBOCLSA-N -1 3 356.400 2.096 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000326477111 553781114 /nfs/dbraw/zinc/78/11/14/553781114.db2.gz ZEBLSFQOPXLHRO-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000326811479 553783321 /nfs/dbraw/zinc/78/33/21/553783321.db2.gz FRINPYCLPHMXAI-GDNZZTSVSA-N -1 3 370.427 2.484 20 5 FEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507541736 561732589 /nfs/dbraw/zinc/73/25/89/561732589.db2.gz FUEFVNUOVSAASB-UHFFFAOYSA-N -1 3 363.395 2.340 20 5 FEBDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000507729668 561739246 /nfs/dbraw/zinc/73/92/46/561739246.db2.gz AWVGBKMSQHVWES-UHFFFAOYSA-N -1 3 363.395 2.129 20 5 FEBDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000330486996 554127791 /nfs/dbraw/zinc/12/77/91/554127791.db2.gz FKGMFXDGLBXURT-LRDDRELGSA-N -1 3 370.427 2.303 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000331345848 554249411 /nfs/dbraw/zinc/24/94/11/554249411.db2.gz QUZFIFZKEPOFCZ-JTQLQIEISA-N -1 3 368.333 2.461 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)c1C ZINC000332109632 554382127 /nfs/dbraw/zinc/38/21/27/554382127.db2.gz DYERPFSWTAGUNH-HNNXBMFYSA-N -1 3 356.444 2.287 20 5 FEBDHM Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N(C)C ZINC000510523195 561837628 /nfs/dbraw/zinc/83/76/28/561837628.db2.gz LGLFNIMMVSFGPH-LRDDRELGSA-N -1 3 358.398 2.425 20 5 FEBDHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N(C)C ZINC000510555704 561838577 /nfs/dbraw/zinc/83/85/77/561838577.db2.gz WJOXSYOOLNCGPC-BLLLJJGKSA-N -1 3 358.398 2.425 20 5 FEBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000531195466 562437817 /nfs/dbraw/zinc/43/78/17/562437817.db2.gz DUOHCXATWWJXLL-UHFFFAOYSA-N -1 3 357.413 2.025 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC000511150116 561859406 /nfs/dbraw/zinc/85/94/06/561859406.db2.gz GSMURXFOQMMHMW-AWEZNQCLSA-N -1 3 356.444 2.431 20 5 FEBDHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000511817075 561881633 /nfs/dbraw/zinc/88/16/33/561881633.db2.gz LFCWAXFJAGNYNE-UHFFFAOYSA-N -1 3 367.358 2.035 20 5 FEBDHM Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368998 556289813 /nfs/dbraw/zinc/28/98/13/556289813.db2.gz GJPYICXUZZMAAF-CZUORRHYSA-N -1 3 370.409 2.397 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000368763187 556407879 /nfs/dbraw/zinc/40/78/79/556407879.db2.gz RFQAHSWBNZTCIC-JKSUJKDBSA-N -1 3 370.427 2.087 20 5 FEBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000368815626 556420565 /nfs/dbraw/zinc/42/05/65/556420565.db2.gz FLJNHCSLTCSIQF-UHFFFAOYSA-N -1 3 356.382 2.436 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)N1CCCC[C@H]1C ZINC000515736657 562020782 /nfs/dbraw/zinc/02/07/82/562020782.db2.gz OQDQQRGGBCZHIS-KGLIPLIRSA-N -1 3 355.460 2.444 20 5 FEBDHM Cc1c(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cccc1[N+](=O)[O-] ZINC000517297184 562084530 /nfs/dbraw/zinc/08/45/30/562084530.db2.gz NSVXHBDTZRRFHZ-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098346 557977557 /nfs/dbraw/zinc/97/75/57/557977557.db2.gz CPZHEEXLGKEIGR-UHFFFAOYSA-N -1 3 354.326 2.052 20 5 FEBDHM O=C(NC1CCN(CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000375377656 558017649 /nfs/dbraw/zinc/01/76/49/558017649.db2.gz GOFDFMWXFSRIHB-UHFFFAOYSA-N -1 3 370.409 2.132 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000383462684 558604637 /nfs/dbraw/zinc/60/46/37/558604637.db2.gz HMEZGGLAAZPYDO-SNVBAGLBSA-N -1 3 352.368 2.349 20 5 FEBDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000392352582 558617516 /nfs/dbraw/zinc/61/75/16/558617516.db2.gz JQSDHMFZLMXOQJ-UHFFFAOYSA-N -1 3 370.408 2.230 20 5 FEBDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccccc3[N+](=O)[O-])cn21 ZINC000416374978 559308440 /nfs/dbraw/zinc/30/84/40/559308440.db2.gz QWLIKSQLUJUGCQ-LLVKDONJSA-N -1 3 350.400 2.167 20 5 FEBDHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416399755 559310176 /nfs/dbraw/zinc/31/01/76/559310176.db2.gz DYGGOJOCXKNIFB-SNVBAGLBSA-N -1 3 370.349 2.299 20 5 FEBDHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416549526 559321191 /nfs/dbraw/zinc/32/11/91/559321191.db2.gz OXAHIBLVLSNIFY-GJZGRUSLSA-N -1 3 356.400 2.079 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000416670859 559328932 /nfs/dbraw/zinc/32/89/32/559328932.db2.gz ZQFHCHGHKILZLF-CYBMUJFWSA-N -1 3 365.386 2.291 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427171215 559749799 /nfs/dbraw/zinc/74/97/99/559749799.db2.gz PRFSVWAYIWLXRE-UHFFFAOYSA-N -1 3 370.774 2.489 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCC(OC)CC1 ZINC000427248811 559751423 /nfs/dbraw/zinc/75/14/23/559751423.db2.gz JIUUZIQHAHWIRW-UHFFFAOYSA-N -1 3 358.416 2.087 20 5 FEBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000428545814 559777921 /nfs/dbraw/zinc/77/79/21/559777921.db2.gz LCLLGVJIGINBMY-CQSZACIVSA-N -1 3 357.366 2.119 20 5 FEBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000433464784 559882369 /nfs/dbraw/zinc/88/23/69/559882369.db2.gz DPHNDTWWVQGVJL-GFCCVEGCSA-N -1 3 358.416 2.161 20 5 FEBDHM COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436737218 559950626 /nfs/dbraw/zinc/95/06/26/559950626.db2.gz PQNJFIMWEVPWKB-MRXNPFEDSA-N -1 3 359.382 2.342 20 5 FEBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442929307 560062622 /nfs/dbraw/zinc/06/26/22/560062622.db2.gz DFNNOXPEMFDFIN-UHFFFAOYSA-N -1 3 360.248 2.343 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000443135293 560072221 /nfs/dbraw/zinc/07/22/21/560072221.db2.gz CISZAVLIMMPMFV-UHFFFAOYSA-N -1 3 354.388 2.062 20 5 FEBDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000443969541 560097702 /nfs/dbraw/zinc/09/77/02/560097702.db2.gz PTCRLUDSZTVLPN-UHFFFAOYSA-N -1 3 359.423 2.134 20 5 FEBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444634799 560117362 /nfs/dbraw/zinc/11/73/62/560117362.db2.gz ZXVWFEHYXVHYRF-UHFFFAOYSA-N -1 3 369.337 2.065 20 5 FEBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)CN1Cc1ccccc1 ZINC000445140353 560129658 /nfs/dbraw/zinc/12/96/58/560129658.db2.gz SHJTVCAUXUMWGL-ZIAGYGMSSA-N -1 3 370.409 2.430 20 5 FEBDHM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445140351 560129697 /nfs/dbraw/zinc/12/96/97/560129697.db2.gz SHJTVCAUXUMWGL-UONOGXRCSA-N -1 3 370.409 2.430 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)c1ccccn1 ZINC000451672920 560321294 /nfs/dbraw/zinc/32/12/94/560321294.db2.gz QHXLHESWSSCVGK-UHFFFAOYSA-N -1 3 365.411 2.255 20 5 FEBDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)OC ZINC000451680938 560321669 /nfs/dbraw/zinc/32/16/69/560321669.db2.gz MYALIOFMOAJFLH-ZANVPECISA-N -1 3 364.395 2.082 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000451805512 560329718 /nfs/dbraw/zinc/32/97/18/560329718.db2.gz VGEKVGSZCDXEBP-NSHDSACASA-N -1 3 358.391 2.362 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000451900176 560335752 /nfs/dbraw/zinc/33/57/52/560335752.db2.gz LMIDOPZHLMSKQS-DZGCQCFKSA-N -1 3 363.395 2.188 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)c1C ZINC000451932671 560338757 /nfs/dbraw/zinc/33/87/57/560338757.db2.gz ASYKHYGPUQSOQA-PWSUYJOCSA-N -1 3 350.400 2.392 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)c1[N+](=O)[O-] ZINC000451947008 560340066 /nfs/dbraw/zinc/34/00/66/560340066.db2.gz OECIBYNYKLWOJO-NEPJUHHUSA-N -1 3 350.400 2.392 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CN2CCCC2)cc1C ZINC000452081970 560350030 /nfs/dbraw/zinc/35/00/30/560350030.db2.gz JLUSYXYSTJPFTD-UHFFFAOYSA-N -1 3 355.460 2.364 20 5 FEBDHM CCCc1[nH]nc(C(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)c1[N+](=O)[O-] ZINC000458187592 560607704 /nfs/dbraw/zinc/60/77/04/560607704.db2.gz VIBPPGBLJISSML-UHFFFAOYSA-N -1 3 363.305 2.107 20 5 FEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000462327881 560806120 /nfs/dbraw/zinc/80/61/20/560806120.db2.gz PQCOKZRUYJOABB-UONOGXRCSA-N -1 3 358.391 2.360 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466540718 560889239 /nfs/dbraw/zinc/88/92/39/560889239.db2.gz PFUPOPCKZUBIPZ-GFCCVEGCSA-N -1 3 352.343 2.454 20 5 FEBDHM CCOC(=O)c1ncc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])s1 ZINC000466611028 560891184 /nfs/dbraw/zinc/89/11/84/560891184.db2.gz NVZHVBSFHVIYAZ-UHFFFAOYSA-N -1 3 351.340 2.489 20 5 FEBDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000466750609 560894404 /nfs/dbraw/zinc/89/44/04/560894404.db2.gz WUYDGNJUPBYEQC-HNNXBMFYSA-N -1 3 364.423 2.094 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000466753676 560894679 /nfs/dbraw/zinc/89/46/79/560894679.db2.gz LYHBYUCNDPFMBQ-CYBMUJFWSA-N -1 3 370.452 2.155 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000467082107 560903216 /nfs/dbraw/zinc/90/32/16/560903216.db2.gz ONMOUCTXDNEDMZ-CYBMUJFWSA-N -1 3 370.452 2.237 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC ZINC000467146556 560904805 /nfs/dbraw/zinc/90/48/05/560904805.db2.gz JELVKKIYSNOTNU-UHFFFAOYSA-N -1 3 366.395 2.399 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cn3ccc(C)cc3n2)cc1[N+](=O)[O-] ZINC000467405667 560909650 /nfs/dbraw/zinc/90/96/50/560909650.db2.gz NQYZELXHQOOWNR-UHFFFAOYSA-N -1 3 366.424 2.399 20 5 FEBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000467795453 560917577 /nfs/dbraw/zinc/91/75/77/560917577.db2.gz BSGZBJPSEGJENW-AWEZNQCLSA-N -1 3 360.432 2.333 20 5 FEBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)o1 ZINC000469126647 560947858 /nfs/dbraw/zinc/94/78/58/560947858.db2.gz UBYKKXSJAJPVGI-UHFFFAOYSA-N -1 3 361.335 2.392 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000469217285 560950084 /nfs/dbraw/zinc/95/00/84/560950084.db2.gz GHWTWCPACSOOFE-GHMZBOCLSA-N -1 3 356.400 2.238 20 5 FEBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000473130768 561042606 /nfs/dbraw/zinc/04/26/06/561042606.db2.gz DIGWFMITECDZOR-UHFFFAOYSA-N -1 3 365.386 2.459 20 5 FEBDHM O=C(NCc1ncccc1[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000473643331 561054893 /nfs/dbraw/zinc/05/48/93/561054893.db2.gz YYOJMKDCTQYBFW-UHFFFAOYSA-N -1 3 352.144 2.388 20 5 FEBDHM COc1c(C(=O)[N-]c2sccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000476050620 561110202 /nfs/dbraw/zinc/11/02/02/561110202.db2.gz MSVXSJDWOMQYGF-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000477168057 561138338 /nfs/dbraw/zinc/13/83/38/561138338.db2.gz STIHLDZNIMFRAQ-NEPJUHHUSA-N -1 3 370.427 2.471 20 5 FEBDHM COc1cc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])ncn1 ZINC000533606509 562514309 /nfs/dbraw/zinc/51/43/09/562514309.db2.gz PQUTZXASDANYMH-UHFFFAOYSA-N -1 3 353.132 2.408 20 5 FEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccn1 ZINC000535615014 562562606 /nfs/dbraw/zinc/56/26/06/562562606.db2.gz APBKJLWAPSXUAG-UHFFFAOYSA-N -1 3 372.200 2.283 20 5 FEBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000540952281 562598267 /nfs/dbraw/zinc/59/82/67/562598267.db2.gz CYJRBPTWWKUVDL-LBPRGKRZSA-N -1 3 364.427 2.339 20 5 FEBDHM COc1cc([N+](=O)[O-])c(C(=O)NCc2cnc(C)[n-]c2=O)cc1SC ZINC000541462917 562612446 /nfs/dbraw/zinc/61/24/46/562612446.db2.gz TWVRGCWKILJPJK-UHFFFAOYSA-N -1 3 364.383 2.059 20 5 FEBDHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000568622922 568100045 /nfs/dbraw/zinc/10/00/45/568100045.db2.gz HUXUBITUBLMIPY-OCCSQVGLSA-N -1 3 372.443 2.035 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000738369555 599267616 /nfs/dbraw/zinc/26/76/16/599267616.db2.gz IRDXRTRPAOVTBJ-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000738369555 599267618 /nfs/dbraw/zinc/26/76/18/599267618.db2.gz IRDXRTRPAOVTBJ-UHFFFAOYSA-N -1 3 367.369 2.218 20 5 FEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cccc1-c1nnn[n-]1 ZINC000822110128 607321429 /nfs/dbraw/zinc/32/14/29/607321429.db2.gz WIONPEGWWQEZGJ-UHFFFAOYSA-N -1 3 367.369 2.402 20 5 FEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cccc1-c1nn[n-]n1 ZINC000822110128 607321430 /nfs/dbraw/zinc/32/14/30/607321430.db2.gz WIONPEGWWQEZGJ-UHFFFAOYSA-N -1 3 367.369 2.402 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737051455 598247187 /nfs/dbraw/zinc/24/71/87/598247187.db2.gz LFDINOHOHHPMPW-UHFFFAOYSA-N -1 3 358.270 2.484 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737051455 598247189 /nfs/dbraw/zinc/24/71/89/598247189.db2.gz LFDINOHOHHPMPW-UHFFFAOYSA-N -1 3 358.270 2.484 20 5 FEBDHM COc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000737035611 598279031 /nfs/dbraw/zinc/27/90/31/598279031.db2.gz VLNXEHLKYKULGT-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000737035611 598279032 /nfs/dbraw/zinc/27/90/32/598279032.db2.gz VLNXEHLKYKULGT-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737114648 598279046 /nfs/dbraw/zinc/27/90/46/598279046.db2.gz IKSWOQSSOLSGGY-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737114648 598279047 /nfs/dbraw/zinc/27/90/47/598279047.db2.gz IKSWOQSSOLSGGY-UHFFFAOYSA-N -1 3 372.316 2.199 20 5 FEBDHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737039719 598289756 /nfs/dbraw/zinc/28/97/56/598289756.db2.gz BTHKNKQOFFTSHP-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737039719 598289757 /nfs/dbraw/zinc/28/97/57/598289757.db2.gz BTHKNKQOFFTSHP-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM Cc1cnn(CC2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000737444004 598338189 /nfs/dbraw/zinc/33/81/89/598338189.db2.gz KROXKHHYUYYZCM-UHFFFAOYSA-N -1 3 368.401 2.196 20 5 FEBDHM Cc1cnn(CC2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000737444004 598338191 /nfs/dbraw/zinc/33/81/91/598338191.db2.gz KROXKHHYUYYZCM-UHFFFAOYSA-N -1 3 368.401 2.196 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370207 598427880 /nfs/dbraw/zinc/42/78/80/598427880.db2.gz RNECBLQPVQKENH-JTQLQIEISA-N -1 3 355.333 2.303 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370207 598427881 /nfs/dbraw/zinc/42/78/81/598427881.db2.gz RNECBLQPVQKENH-JTQLQIEISA-N -1 3 355.333 2.303 20 5 FEBDHM C[C@@H](c1ccccc1)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736200907 598628429 /nfs/dbraw/zinc/62/84/29/598628429.db2.gz FNTNVDWKZPJSAV-ZBEGNZNMSA-N -1 3 354.370 2.351 20 5 FEBDHM C[C@@H](c1ccccc1)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736200907 598628430 /nfs/dbraw/zinc/62/84/30/598628430.db2.gz FNTNVDWKZPJSAV-ZBEGNZNMSA-N -1 3 354.370 2.351 20 5 FEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738151503 598661122 /nfs/dbraw/zinc/66/11/22/598661122.db2.gz LDCCBLSNHDHYHO-UHFFFAOYSA-N -1 3 351.282 2.168 20 5 FEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738151503 598661124 /nfs/dbraw/zinc/66/11/24/598661124.db2.gz LDCCBLSNHDHYHO-UHFFFAOYSA-N -1 3 351.282 2.168 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1ccc(F)cc1 ZINC000736136175 598679166 /nfs/dbraw/zinc/67/91/66/598679166.db2.gz DPESXZBHWAKCRZ-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1ccc(F)cc1 ZINC000736136175 598679167 /nfs/dbraw/zinc/67/91/67/598679167.db2.gz DPESXZBHWAKCRZ-PSLIRLAXSA-N -1 3 358.333 2.448 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737115871 598704239 /nfs/dbraw/zinc/70/42/39/598704239.db2.gz PUESWOWRIXREKK-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737115871 598704241 /nfs/dbraw/zinc/70/42/41/598704241.db2.gz PUESWOWRIXREKK-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808572480 674463466 /nfs/dbraw/zinc/46/34/66/674463466.db2.gz CRWSVHVJPZZNIP-UHFFFAOYSA-N -1 3 373.175 2.423 20 5 FEBDHM C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820329486 599508736 /nfs/dbraw/zinc/50/87/36/599508736.db2.gz WNWOUQOYNGJFOA-NSHDSACASA-N -1 3 367.369 2.064 20 5 FEBDHM C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820329486 599508737 /nfs/dbraw/zinc/50/87/37/599508737.db2.gz WNWOUQOYNGJFOA-NSHDSACASA-N -1 3 367.369 2.064 20 5 FEBDHM C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327077 599514211 /nfs/dbraw/zinc/51/42/11/599514211.db2.gz DUAKKEIAWBSLEQ-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327077 599514214 /nfs/dbraw/zinc/51/42/14/599514214.db2.gz DUAKKEIAWBSLEQ-NSHDSACASA-N -1 3 368.353 2.031 20 5 FEBDHM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000740098661 599764442 /nfs/dbraw/zinc/76/44/42/599764442.db2.gz XJKSAZRGDMMBAF-LLVKDONJSA-N -1 3 364.358 2.266 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1-c1nnn[n-]1 ZINC000820170114 607402025 /nfs/dbraw/zinc/40/20/25/607402025.db2.gz QQWWNHJSEKOYIA-UHFFFAOYSA-N -1 3 371.357 2.153 20 5 FEBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1-c1nn[n-]n1 ZINC000820170114 607402026 /nfs/dbraw/zinc/40/20/26/607402026.db2.gz QQWWNHJSEKOYIA-UHFFFAOYSA-N -1 3 371.357 2.153 20 5 FEBDHM O=C([O-])[C@H]1c2ccccc2CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566626035 601546876 /nfs/dbraw/zinc/54/68/76/601546876.db2.gz VNGAVCZPFVXMLM-MAUKXSAKSA-N -1 3 372.377 2.019 20 5 FEBDHM CC(=O)c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029091 607536788 /nfs/dbraw/zinc/53/67/88/607536788.db2.gz CRFLRBIMJWCFDJ-UHFFFAOYSA-N -1 3 369.337 2.435 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826200659 607586161 /nfs/dbraw/zinc/58/61/61/607586161.db2.gz BRNBPXONLQWUIN-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826200659 607586162 /nfs/dbraw/zinc/58/61/62/607586162.db2.gz BRNBPXONLQWUIN-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000809818826 674512382 /nfs/dbraw/zinc/51/23/82/674512382.db2.gz PVCWWBBVLHBSCN-UHFFFAOYSA-N -1 3 365.198 2.412 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]n1 ZINC000809818826 674512384 /nfs/dbraw/zinc/51/23/84/674512384.db2.gz PVCWWBBVLHBSCN-UHFFFAOYSA-N -1 3 365.198 2.412 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809809821 674511265 /nfs/dbraw/zinc/51/12/65/674511265.db2.gz AUAIETPFAAOXMN-UHFFFAOYSA-N -1 3 368.242 2.274 20 5 FEBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000809814390 674511650 /nfs/dbraw/zinc/51/16/50/674511650.db2.gz KADQMELTTJNLFZ-MRVPVSSYSA-N -1 3 365.814 2.148 20 5 FEBDHM CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000826912060 605484540 /nfs/dbraw/zinc/48/45/40/605484540.db2.gz ODCNKJDBSYTJRJ-UHFFFAOYSA-N -1 3 364.402 2.048 20 5 FEBDHM O=C([O-])N1CCC[C@@H]1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834106281 606028118 /nfs/dbraw/zinc/02/81/18/606028118.db2.gz IVVMNIHGTKJWNN-IAGOWNOFSA-N -1 3 363.414 2.483 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821446862 606104567 /nfs/dbraw/zinc/10/45/67/606104567.db2.gz DTTBVHDULFYZOL-JBBSYBRQSA-N -1 3 364.431 2.267 20 5 FEBDHM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821446862 606104568 /nfs/dbraw/zinc/10/45/68/606104568.db2.gz DTTBVHDULFYZOL-JBBSYBRQSA-N -1 3 364.431 2.267 20 5 FEBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000810091391 674531162 /nfs/dbraw/zinc/53/11/62/674531162.db2.gz SJMDHGWDRCRRNL-SECBINFHSA-N -1 3 367.830 2.394 20 5 FEBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000810096524 674531393 /nfs/dbraw/zinc/53/13/93/674531393.db2.gz PSXVUAGHSSOJNB-HTQZYQBOSA-N -1 3 367.221 2.059 20 5 FEBDHM CN(CCOC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000821603815 606463585 /nfs/dbraw/zinc/46/35/85/606463585.db2.gz PTPOEBPAEBSIIE-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM CN(CCOC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000821603815 606463588 /nfs/dbraw/zinc/46/35/88/606463588.db2.gz PTPOEBPAEBSIIE-UHFFFAOYSA-N -1 3 374.382 2.130 20 5 FEBDHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987801 606545493 /nfs/dbraw/zinc/54/54/93/606545493.db2.gz MKGCNAUCGBZNSS-UHFFFAOYSA-N -1 3 352.354 2.440 20 5 FEBDHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987801 606545495 /nfs/dbraw/zinc/54/54/95/606545495.db2.gz MKGCNAUCGBZNSS-UHFFFAOYSA-N -1 3 352.354 2.440 20 5 FEBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821104684 606787629 /nfs/dbraw/zinc/78/76/29/606787629.db2.gz MZDQWOSHCAAKOB-UHFFFAOYSA-N -1 3 367.369 2.222 20 5 FEBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821104684 606787630 /nfs/dbraw/zinc/78/76/30/606787630.db2.gz MZDQWOSHCAAKOB-UHFFFAOYSA-N -1 3 367.369 2.222 20 5 FEBDHM Cc1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000822384331 607021731 /nfs/dbraw/zinc/02/17/31/607021731.db2.gz JSZYUHUOELLCCV-UHFFFAOYSA-N -1 3 361.749 2.177 20 5 FEBDHM Cc1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000822384331 607021733 /nfs/dbraw/zinc/02/17/33/607021733.db2.gz JSZYUHUOELLCCV-UHFFFAOYSA-N -1 3 361.749 2.177 20 5 FEBDHM O=C(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000822969446 607032088 /nfs/dbraw/zinc/03/20/88/607032088.db2.gz OLHMKAYOAQHFSV-UHFFFAOYSA-N -1 3 368.353 2.320 20 5 FEBDHM O=C(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000822969446 607032090 /nfs/dbraw/zinc/03/20/90/607032090.db2.gz OLHMKAYOAQHFSV-UHFFFAOYSA-N -1 3 368.353 2.320 20 5 FEBDHM CNc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821637584 607072013 /nfs/dbraw/zinc/07/20/13/607072013.db2.gz MBMHXKKJFNNUEX-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM CNc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821637584 607072015 /nfs/dbraw/zinc/07/20/15/607072015.db2.gz MBMHXKKJFNNUEX-UHFFFAOYSA-N -1 3 372.316 2.313 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822982364 607245651 /nfs/dbraw/zinc/24/56/51/607245651.db2.gz DXARWBZURQCPMV-UHFFFAOYSA-N -1 3 357.301 2.452 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822982364 607245652 /nfs/dbraw/zinc/24/56/52/607245652.db2.gz DXARWBZURQCPMV-UHFFFAOYSA-N -1 3 357.301 2.452 20 5 FEBDHM COc1ccc(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826191963 607968646 /nfs/dbraw/zinc/96/86/46/607968646.db2.gz VRFVMODIZYTBES-NSHDSACASA-N -1 3 369.385 2.469 20 5 FEBDHM COc1ccc(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826191963 607968647 /nfs/dbraw/zinc/96/86/47/607968647.db2.gz VRFVMODIZYTBES-NSHDSACASA-N -1 3 369.385 2.469 20 5 FEBDHM CN(C)c1ccc(COC(=O)c2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825878685 608129700 /nfs/dbraw/zinc/12/97/00/608129700.db2.gz AUYQBKSAKOWCPO-UHFFFAOYSA-N -1 3 374.382 2.259 20 5 FEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000826465839 608445248 /nfs/dbraw/zinc/44/52/48/608445248.db2.gz FWIJYWBGHZJVMO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000826465839 608445249 /nfs/dbraw/zinc/44/52/49/608445249.db2.gz FWIJYWBGHZJVMO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000825976006 609213978 /nfs/dbraw/zinc/21/39/78/609213978.db2.gz DYFWLNINWYBBOH-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000825976006 609213979 /nfs/dbraw/zinc/21/39/79/609213979.db2.gz DYFWLNINWYBBOH-UHFFFAOYSA-N -1 3 362.353 2.355 20 5 FEBDHM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826269487 609244068 /nfs/dbraw/zinc/24/40/68/609244068.db2.gz NRJLFJGYCQUTRP-NSHDSACASA-N -1 3 368.353 2.489 20 5 FEBDHM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826269487 609244070 /nfs/dbraw/zinc/24/40/70/609244070.db2.gz NRJLFJGYCQUTRP-NSHDSACASA-N -1 3 368.353 2.489 20 5 FEBDHM Cc1ncc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000576260013 671356231 /nfs/dbraw/zinc/35/62/31/671356231.db2.gz RTDMWIBVRPRTOS-UHFFFAOYSA-N -1 3 366.424 2.362 20 5 FEBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000118947338 671889306 /nfs/dbraw/zinc/88/93/06/671889306.db2.gz CABPTJFNRNDDLA-HNNXBMFYSA-N -1 3 370.814 2.434 20 5 FEBDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000611021732 676011748 /nfs/dbraw/zinc/01/17/48/676011748.db2.gz DAHKBUUBFYQREF-ABAIWWIYSA-N -1 3 368.386 2.177 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCC(C)CC1 ZINC000194727712 672766697 /nfs/dbraw/zinc/76/66/97/672766697.db2.gz ORPUXEFOKNYBLY-LBPRGKRZSA-N -1 3 359.423 2.133 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)nc1 ZINC000593532331 672935465 /nfs/dbraw/zinc/93/54/65/672935465.db2.gz NWGOVIYWUHFDBI-UHFFFAOYSA-N -1 3 351.359 2.139 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)nc1 ZINC000593535324 672936342 /nfs/dbraw/zinc/93/63/42/672936342.db2.gz WTZANMDWUVIZRR-UHFFFAOYSA-N -1 3 362.411 2.069 20 5 FEBDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595163 672953999 /nfs/dbraw/zinc/95/39/99/672953999.db2.gz CFKYNBDEEWOMHM-CYBMUJFWSA-N -1 3 365.411 2.264 20 5 FEBDHM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1 ZINC000594836741 673157395 /nfs/dbraw/zinc/15/73/95/673157395.db2.gz KVZYKXZQIJMURX-YGUOUDRMSA-N -1 3 370.427 2.136 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000613475336 676130777 /nfs/dbraw/zinc/13/07/77/676130777.db2.gz IUKRHBQWCUQBJB-AWEZNQCLSA-N -1 3 356.425 2.151 20 5 FEBDHM O=C(c1ccc(Cl)cc1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071535 673356171 /nfs/dbraw/zinc/35/61/71/673356171.db2.gz QEGKVGIJUKKMII-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540452297 673540091 /nfs/dbraw/zinc/54/00/91/673540091.db2.gz WQXMTZCTXOHOCR-GFCCVEGCSA-N -1 3 364.427 2.337 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000746400644 673876060 /nfs/dbraw/zinc/87/60/60/673876060.db2.gz UVDYFRRBEDBYIE-UHFFFAOYSA-N -1 3 370.818 2.342 20 5 FEBDHM CCOc1cc(CN2CCC(COC)(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000566367757 675208573 /nfs/dbraw/zinc/20/85/73/675208573.db2.gz OLRYFTHWPWPMCY-UHFFFAOYSA-N -1 3 352.387 2.307 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c([N+](=O)[O-])s1 ZINC000866935422 684183128 /nfs/dbraw/zinc/18/31/28/684183128.db2.gz AEHBNNOAWBBCPC-MRVPVSSYSA-N -1 3 354.500 2.092 20 5 FEBDHM O=C([N-][C@H]1CCCC(F)(F)[C@@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000839895236 680786594 /nfs/dbraw/zinc/78/65/94/680786594.db2.gz SRDRHFJFJRYXKZ-WDEREUQCSA-N -1 3 350.268 2.352 20 5 FEBDHM CSc1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000912686466 685418897 /nfs/dbraw/zinc/41/88/97/685418897.db2.gz VDKJFUATYRUXCU-UHFFFAOYSA-N -1 3 357.347 2.258 20 5 FEBDHM COC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000776433895 681391607 /nfs/dbraw/zinc/39/16/07/681391607.db2.gz MDZDHTMHLYZHMX-UHFFFAOYSA-N -1 3 370.774 2.489 20 5 FEBDHM Cc1ccc([C@H](O)C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000848584366 681583477 /nfs/dbraw/zinc/58/34/77/681583477.db2.gz WDNSVZVDQGTBJH-GFCCVEGCSA-N -1 3 356.281 2.318 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000848583584 681583534 /nfs/dbraw/zinc/58/35/34/681583534.db2.gz DAMRELDSGSNSGO-LBPRGKRZSA-N -1 3 356.281 2.318 20 5 FEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000782329699 682029916 /nfs/dbraw/zinc/02/99/16/682029916.db2.gz PSPZRVVDARCKEV-UHFFFAOYSA-N -1 3 360.709 2.489 20 5 FEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000917760706 685534534 /nfs/dbraw/zinc/53/45/34/685534534.db2.gz ITQQZQUFYHZADL-NSHDSACASA-N -1 3 361.851 2.401 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920045164 683315442 /nfs/dbraw/zinc/31/54/42/683315442.db2.gz UXJSOEFRSKFKTL-UHFFFAOYSA-N -1 3 373.368 2.052 20 5 FEBDHM Cn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000798226388 683324725 /nfs/dbraw/zinc/32/47/25/683324725.db2.gz JVHFTLHINNYSSP-UHFFFAOYSA-N -1 3 365.198 2.114 20 5 FEBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000867438268 684280093 /nfs/dbraw/zinc/28/00/93/684280093.db2.gz BIYJVVDRSWIDLM-UHFFFAOYSA-N -1 3 368.242 2.274 20 5 FEBDHM COc1c([O-])ccc(CN2CCN([C@H](C)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000892202001 689164663 /nfs/dbraw/zinc/16/46/63/689164663.db2.gz OQLIZPDGIOFRBU-SNVBAGLBSA-N -1 3 363.336 2.377 20 5 FEBDHM COc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000028041609 539824484 /nfs/dbraw/zinc/82/44/84/539824484.db2.gz UTXCMNPJXKIIAN-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000042986102 540085008 /nfs/dbraw/zinc/08/50/08/540085008.db2.gz NGNKNDIZHFULFI-LLVKDONJSA-N -1 3 354.384 2.496 20 5 FEBDHM Cc1nccc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000056126605 540705099 /nfs/dbraw/zinc/70/50/99/540705099.db2.gz BXLFUAILYIACBP-UHFFFAOYSA-N -1 3 356.791 2.134 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000063466553 541169314 /nfs/dbraw/zinc/16/93/14/541169314.db2.gz QNINLCXHCJZQFZ-UHFFFAOYSA-N -1 3 369.377 2.207 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCO2 ZINC000064245032 541197170 /nfs/dbraw/zinc/19/71/70/541197170.db2.gz XNROSYLXWUQSPJ-MRVPVSSYSA-N -1 3 356.381 2.425 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCOc1ccc(F)cc1 ZINC000063766618 541184640 /nfs/dbraw/zinc/18/46/40/541184640.db2.gz LIGQXLQHNQBWPF-UHFFFAOYSA-N -1 3 354.359 2.481 20 5 FEBDHM CCCCN1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068903190 541639570 /nfs/dbraw/zinc/63/95/70/541639570.db2.gz DPIZHGASYQLAOX-UHFFFAOYSA-N -1 3 359.423 2.277 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000027598085 220539576 /nfs/dbraw/zinc/53/95/76/220539576.db2.gz ACQWHHDDVZBTHC-UHFFFAOYSA-N -1 3 369.786 2.456 20 5 FEBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080806492 542610559 /nfs/dbraw/zinc/61/05/59/542610559.db2.gz PKTQIGIMDGKQAO-CQSZACIVSA-N -1 3 350.396 2.131 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000106891733 543252869 /nfs/dbraw/zinc/25/28/69/543252869.db2.gz OYPJUGYCFZZGIJ-CYBMUJFWSA-N -1 3 353.444 2.198 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)N(C)C ZINC000110177784 543351168 /nfs/dbraw/zinc/35/11/68/543351168.db2.gz QDESAEXHOUOPLC-UHFFFAOYSA-N -1 3 369.424 2.467 20 5 FEBDHM O=C(COc1ccccc1[N+](=O)[O-])[N-]c1nncn1Cc1ccccc1 ZINC000117737105 543639029 /nfs/dbraw/zinc/63/90/29/543639029.db2.gz IFNDSNKJDJXXAA-UHFFFAOYSA-N -1 3 353.338 2.252 20 5 FEBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000146785025 544442560 /nfs/dbraw/zinc/44/25/60/544442560.db2.gz KMTFYNDAOWZSFX-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM Cc1ccc(C(=O)NCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000183360679 327813527 /nfs/dbraw/zinc/81/35/27/327813527.db2.gz KFRYLOSIOOXLSS-UHFFFAOYSA-N -1 3 369.377 2.318 20 5 FEBDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185939358 327939950 /nfs/dbraw/zinc/93/99/50/327939950.db2.gz FDLPVGYVKJPVFW-CYBMUJFWSA-N -1 3 365.415 2.123 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000190174599 328192588 /nfs/dbraw/zinc/19/25/88/328192588.db2.gz CLLNTXRZCCYSNE-AWEZNQCLSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C2 ZINC000090167887 325355909 /nfs/dbraw/zinc/35/59/09/325355909.db2.gz UDQKFRBWANNJDP-ZDUSSCGKSA-N -1 3 364.427 2.010 20 5 FEBDHM O=[N+]([O-])c1cnc(NCC[N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000120014751 326221860 /nfs/dbraw/zinc/22/18/60/326221860.db2.gz XYHQALJASWEFGP-UHFFFAOYSA-N -1 3 362.820 2.095 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@](C)(O)c1ccsc1 ZINC000121146659 326317123 /nfs/dbraw/zinc/31/71/23/326317123.db2.gz OLCILCBPVOPIDU-AWEZNQCLSA-N -1 3 356.425 2.151 20 5 FEBDHM COC(=O)Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000122143580 326385668 /nfs/dbraw/zinc/38/56/68/326385668.db2.gz MDTSMAMUFGMWDY-UHFFFAOYSA-N -1 3 354.322 2.439 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(N(C)C)n2)cc1C ZINC000167891582 327086158 /nfs/dbraw/zinc/08/61/58/327086158.db2.gz FBEOBEDFGUXSPM-UHFFFAOYSA-N -1 3 364.427 2.151 20 5 FEBDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173609121 327270575 /nfs/dbraw/zinc/27/05/75/327270575.db2.gz FXHYFRJSIDSEJJ-NSHDSACASA-N -1 3 355.391 2.372 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269769688 329547272 /nfs/dbraw/zinc/54/72/72/329547272.db2.gz FRQSMBUJFWHHKA-HNNXBMFYSA-N -1 3 366.395 2.005 20 5 FEBDHM O=C(CNC(=O)c1cccc([O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275293726 330031629 /nfs/dbraw/zinc/03/16/29/330031629.db2.gz GXDUFNPBDSJCJL-UHFFFAOYSA-N -1 3 369.377 2.221 20 5 FEBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276200712 330128550 /nfs/dbraw/zinc/12/85/50/330128550.db2.gz YMJHTJCIUMAUIB-YUMQZZPRSA-N -1 3 367.221 2.059 20 5 FEBDHM NC(=O)N1CCc2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000155836891 545575055 /nfs/dbraw/zinc/57/50/55/545575055.db2.gz VLNFCWOXEBBDOA-UHFFFAOYSA-N -1 3 366.337 2.165 20 5 FEBDHM COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s2)cc1 ZINC000477418313 561144515 /nfs/dbraw/zinc/14/45/15/561144515.db2.gz YMJBBXZHIMOGIE-UHFFFAOYSA-N -1 3 373.350 2.475 20 5 FEBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1NC(=O)N(C)C ZINC000478649190 561171754 /nfs/dbraw/zinc/17/17/54/561171754.db2.gz ISEBMTPELCDPCM-UHFFFAOYSA-N -1 3 359.342 2.350 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000479130792 561182304 /nfs/dbraw/zinc/18/23/04/561182304.db2.gz KTRXOQYNHQEPFC-LLVKDONJSA-N -1 3 356.322 2.149 20 5 FEBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])s1 ZINC000176821009 546492871 /nfs/dbraw/zinc/49/28/71/546492871.db2.gz QNDPQFVFAKHVMC-UHFFFAOYSA-N -1 3 356.429 2.059 20 5 FEBDHM CN(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000176916675 546508282 /nfs/dbraw/zinc/50/82/82/546508282.db2.gz CGCDSTCAMFHNQU-UHFFFAOYSA-N -1 3 367.402 2.144 20 5 FEBDHM Cc1nc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C)o1 ZINC000480706148 561214875 /nfs/dbraw/zinc/21/48/75/561214875.db2.gz HEIGORGWBREAHB-UHFFFAOYSA-N -1 3 353.400 2.337 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C ZINC000480721845 561215217 /nfs/dbraw/zinc/21/52/17/561215217.db2.gz NPFFYOBBHRZHIT-NSHDSACASA-N -1 3 374.415 2.002 20 5 FEBDHM Cc1c(Cl)cc(S(=O)(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000480735962 561215636 /nfs/dbraw/zinc/21/56/36/561215636.db2.gz AZCBXFPZOCJTOR-UHFFFAOYSA-N -1 3 357.775 2.136 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000480844825 561218015 /nfs/dbraw/zinc/21/80/15/561218015.db2.gz PKJXBFQQOAPPJK-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM COc1ccsc1S(=O)(=O)[N-]CCNc1ccccc1[N+](=O)[O-] ZINC000177488274 546628654 /nfs/dbraw/zinc/62/86/54/546628654.db2.gz YOOZWVJDQYVINN-UHFFFAOYSA-N -1 3 357.413 2.055 20 5 FEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481056118 561223879 /nfs/dbraw/zinc/22/38/79/561223879.db2.gz IKVNJJWVTPXUKX-AWEZNQCLSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000481080602 561224868 /nfs/dbraw/zinc/22/48/68/561224868.db2.gz ZSFWNRIZMIYCQW-UHFFFAOYSA-N -1 3 364.427 2.305 20 5 FEBDHM COc1nnc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)[n-]1 ZINC000182983660 547583217 /nfs/dbraw/zinc/58/32/17/547583217.db2.gz MPMOQUBQXBOJTP-GHMZBOCLSA-N -1 3 374.401 2.456 20 5 FEBDHM COc1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n[n-]1 ZINC000182983660 547583221 /nfs/dbraw/zinc/58/32/21/547583221.db2.gz MPMOQUBQXBOJTP-GHMZBOCLSA-N -1 3 374.401 2.456 20 5 FEBDHM COc1n[n-]c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000182983660 547583226 /nfs/dbraw/zinc/58/32/26/547583226.db2.gz MPMOQUBQXBOJTP-GHMZBOCLSA-N -1 3 374.401 2.456 20 5 FEBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000183295852 547635430 /nfs/dbraw/zinc/63/54/30/547635430.db2.gz KVCOKEAHOCHMPV-LBPRGKRZSA-N -1 3 359.423 2.277 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000190944017 548336053 /nfs/dbraw/zinc/33/60/53/548336053.db2.gz GEFLQHLQBHWGRO-UHFFFAOYSA-N -1 3 372.349 2.403 20 5 FEBDHM CCc1cnccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000486603256 561352120 /nfs/dbraw/zinc/35/21/20/561352120.db2.gz ZXOYGTABBXHFFG-UHFFFAOYSA-N -1 3 351.384 2.039 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000486703377 561354860 /nfs/dbraw/zinc/35/48/60/561354860.db2.gz PMANAPQPXMUWCT-SECBINFHSA-N -1 3 350.343 2.460 20 5 FEBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000486627128 561352727 /nfs/dbraw/zinc/35/27/27/561352727.db2.gz SRWVQQITVWFFLG-SFYZADRCSA-N -1 3 359.433 2.327 20 5 FEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000486816906 561357531 /nfs/dbraw/zinc/35/75/31/561357531.db2.gz DVHYOBWUDSOFAT-GDNZZTSVSA-N -1 3 361.217 2.434 20 5 FEBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000268762576 550113680 /nfs/dbraw/zinc/11/36/80/550113680.db2.gz AGLAIJPHLFGPHK-UHFFFAOYSA-N -1 3 372.443 2.479 20 5 FEBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000492334342 561450871 /nfs/dbraw/zinc/45/08/71/561450871.db2.gz NNXACEHIDQJFIT-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM COC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000493355231 561455734 /nfs/dbraw/zinc/45/57/34/561455734.db2.gz CWUIIXUGJDZRKE-GFCCVEGCSA-N -1 3 370.349 2.457 20 5 FEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000273567594 550503473 /nfs/dbraw/zinc/50/34/73/550503473.db2.gz GBHQEGLOIBAPTF-SECBINFHSA-N -1 3 356.429 2.411 20 5 FEBDHM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000280240383 550974046 /nfs/dbraw/zinc/97/40/46/550974046.db2.gz YBADVJGSYDWQMX-VIFPVBQESA-N -1 3 356.342 2.341 20 5 FEBDHM COc1ccc(C(=O)[N-]C(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282381715 551220331 /nfs/dbraw/zinc/22/03/31/551220331.db2.gz GBLSKFVXHLTHGX-UHFFFAOYSA-N -1 3 371.393 2.034 20 5 FEBDHM COc1cc(CNc2ccc(N3CCNC3=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000497593272 561504405 /nfs/dbraw/zinc/50/44/05/561504405.db2.gz ZINHRTIKUDKFSA-UHFFFAOYSA-N -1 3 358.354 2.451 20 5 FEBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000286521794 551895774 /nfs/dbraw/zinc/89/57/74/551895774.db2.gz BARBJIUTUCLHPZ-UHFFFAOYSA-N -1 3 360.432 2.335 20 5 FEBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000500102474 561566044 /nfs/dbraw/zinc/56/60/44/561566044.db2.gz MZIFSHGXIFOOMQ-CQSZACIVSA-N -1 3 355.460 2.446 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)c1 ZINC000295344912 552991033 /nfs/dbraw/zinc/99/10/33/552991033.db2.gz RAJURCIDZOMKJM-UHFFFAOYSA-N -1 3 371.806 2.031 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000296894917 553226514 /nfs/dbraw/zinc/22/65/14/553226514.db2.gz DLRXJIUXRZDJBA-VIFPVBQESA-N -1 3 368.367 2.322 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000503479980 561642405 /nfs/dbraw/zinc/64/24/05/561642405.db2.gz UONNLBVKAFWCBE-DOMZBBRYSA-N -1 3 372.443 2.035 20 5 FEBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000301073056 553619788 /nfs/dbraw/zinc/61/97/88/553619788.db2.gz GMOSRXFXOJBLAA-UHFFFAOYSA-N -1 3 372.384 2.085 20 5 FEBDHM O=C([O-])c1cnc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000323556787 553769776 /nfs/dbraw/zinc/76/97/76/553769776.db2.gz UERHVNCGAXJODT-UHFFFAOYSA-N -1 3 356.382 2.400 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)C)C1CC1 ZINC000324004271 553771055 /nfs/dbraw/zinc/77/10/55/553771055.db2.gz HAHKFXLSIPIHQC-AWEZNQCLSA-N -1 3 356.400 2.094 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000326948836 553784222 /nfs/dbraw/zinc/78/42/22/553784222.db2.gz JCMBUNNNULOWCV-CQSZACIVSA-N -1 3 372.443 2.381 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000328417468 553794142 /nfs/dbraw/zinc/79/41/42/553794142.db2.gz RQUCDZNWBPGOKS-JTNHKYCSSA-N -1 3 370.427 2.484 20 5 FEBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000507594341 561734611 /nfs/dbraw/zinc/73/46/11/561734611.db2.gz ABRPZGYPHLPKAD-TZMCWYRMSA-N -1 3 356.382 2.261 20 5 FEBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)n1C ZINC000350271691 554775063 /nfs/dbraw/zinc/77/50/63/554775063.db2.gz WGIUBYUNXQXMOD-UHFFFAOYSA-N -1 3 352.314 2.139 20 5 FEBDHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000351149376 554839781 /nfs/dbraw/zinc/83/97/81/554839781.db2.gz RTOVFZKCEOBUCE-UHFFFAOYSA-N -1 3 370.387 2.236 20 5 FEBDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c2)n1 ZINC000360056876 554861453 /nfs/dbraw/zinc/86/14/53/554861453.db2.gz IPCGEKACJNSVPB-UHFFFAOYSA-N -1 3 367.321 2.419 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000368298460 556272257 /nfs/dbraw/zinc/27/22/57/556272257.db2.gz IJUYUMULVVATCJ-QGZVFWFLSA-N -1 3 362.407 2.328 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000368298459 556272409 /nfs/dbraw/zinc/27/24/09/556272409.db2.gz IJUYUMULVVATCJ-KRWDZBQOSA-N -1 3 362.407 2.328 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000515494449 562012948 /nfs/dbraw/zinc/01/29/48/562012948.db2.gz RUWLNPKCDUPWCZ-UHFFFAOYSA-N -1 3 371.321 2.033 20 5 FEBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCN1C1CCCCC1 ZINC000516617687 562050788 /nfs/dbraw/zinc/05/07/88/562050788.db2.gz YDWUATRAYNHZDO-AWEZNQCLSA-N -1 3 368.459 2.065 20 5 FEBDHM CN(CC1CCN(c2ccncc2)CC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370490689 556888605 /nfs/dbraw/zinc/88/86/05/556888605.db2.gz HXVKHVZQICSFOG-UHFFFAOYSA-N -1 3 371.397 2.079 20 5 FEBDHM COC(=O)c1c[nH]c(=O)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000517655750 562094934 /nfs/dbraw/zinc/09/49/34/562094934.db2.gz TWVRRUDDXQRGHT-UHFFFAOYSA-N -1 3 351.702 2.388 20 5 FEBDHM C[C@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892265 562147528 /nfs/dbraw/zinc/14/75/28/562147528.db2.gz VFMXIICNDMMRBH-STQMWFEESA-N -1 3 373.450 2.380 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000520832519 562164745 /nfs/dbraw/zinc/16/47/45/562164745.db2.gz SYAMBVWKDMXZPE-SFHVURJKSA-N -1 3 368.349 2.210 20 5 FEBDHM Cc1c(C(=O)[N-]c2nncn2-c2cccnc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377164509 558279903 /nfs/dbraw/zinc/27/99/03/558279903.db2.gz WXWOTZJRKGWBOR-UHFFFAOYSA-N -1 3 369.297 2.039 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000377843302 558433535 /nfs/dbraw/zinc/43/35/35/558433535.db2.gz HRUWQLIWQNRAPT-DFBGVHRSSA-N -1 3 370.427 2.085 20 5 FEBDHM CCOc1cc([N-]C(=O)c2cnn(C)c2OC)c([N+](=O)[O-])cc1OCC ZINC000414740325 559183877 /nfs/dbraw/zinc/18/38/77/559183877.db2.gz JWVUIDDPSQXBKE-UHFFFAOYSA-N -1 3 364.358 2.387 20 5 FEBDHM COCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367589 559307772 /nfs/dbraw/zinc/30/77/72/559307772.db2.gz FLUFNPGBOREHDJ-UHFFFAOYSA-N -1 3 356.322 2.319 20 5 FEBDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1C ZINC000416373659 559308220 /nfs/dbraw/zinc/30/82/20/559308220.db2.gz RKOPJSWWBKXDJL-NSHDSACASA-N -1 3 352.416 2.491 20 5 FEBDHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455944 559314198 /nfs/dbraw/zinc/31/41/98/559314198.db2.gz KWIKFKQLOLHKJO-QPUJVOFHSA-N -1 3 368.333 2.459 20 5 FEBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416491858 559317297 /nfs/dbraw/zinc/31/72/97/559317297.db2.gz AHUYVEUVAKPZEK-UHFFFAOYSA-N -1 3 370.349 2.301 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)CC ZINC000416493850 559317492 /nfs/dbraw/zinc/31/74/92/559317492.db2.gz GRXFKIJBXOHBFO-KOLCDFICSA-N -1 3 370.349 2.441 20 5 FEBDHM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 ZINC000416555354 559321575 /nfs/dbraw/zinc/32/15/75/559321575.db2.gz XCXAOTOTHYJRGP-ZDUSSCGKSA-N -1 3 362.407 2.358 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@](C)(OC)C1CC1 ZINC000416586383 559323419 /nfs/dbraw/zinc/32/34/19/559323419.db2.gz HKPIGOBJPRDMHD-BMIGLBTASA-N -1 3 358.416 2.085 20 5 FEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000416632290 559326352 /nfs/dbraw/zinc/32/63/52/559326352.db2.gz MXIZPYGGLMXUFY-UHFFFAOYSA-N -1 3 353.375 2.385 20 5 FEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CN(C(C)(C)C)CC3)n1 ZINC000425075993 559686351 /nfs/dbraw/zinc/68/63/51/559686351.db2.gz FKICYKMJIARHPP-UHFFFAOYSA-N -1 3 364.431 2.194 20 5 FEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425368049 559698498 /nfs/dbraw/zinc/69/84/98/559698498.db2.gz DGXMVJZPUFLREU-KRWDZBQOSA-N -1 3 350.415 2.348 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000427379586 559754458 /nfs/dbraw/zinc/75/44/58/559754458.db2.gz LFRDTAVRBXPBNO-UHFFFAOYSA-N -1 3 353.338 2.167 20 5 FEBDHM O=C(CNC(=O)c1cccc([O-])c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000427834089 559763655 /nfs/dbraw/zinc/76/36/55/559763655.db2.gz JAFOPOUBLYFPMT-UHFFFAOYSA-N -1 3 363.757 2.000 20 5 FEBDHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000431643851 559843175 /nfs/dbraw/zinc/84/31/75/559843175.db2.gz FHOHGXFKSMAZHH-ZDUSSCGKSA-N -1 3 371.459 2.042 20 5 FEBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000433883024 559889585 /nfs/dbraw/zinc/88/95/85/559889585.db2.gz CMZGMUGETQFOCN-RWCYGVJQSA-N -1 3 362.429 2.141 20 5 FEBDHM Cn1ccnc1-c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[n-]1 ZINC000435718741 559928807 /nfs/dbraw/zinc/92/88/07/559928807.db2.gz YOOJINSRJWVEBK-UHFFFAOYSA-N -1 3 351.326 2.452 20 5 FEBDHM Cn1ccnc1-c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[n-]n1 ZINC000435718741 559928808 /nfs/dbraw/zinc/92/88/08/559928808.db2.gz YOOJINSRJWVEBK-UHFFFAOYSA-N -1 3 351.326 2.452 20 5 FEBDHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000443024082 560066480 /nfs/dbraw/zinc/06/64/80/560066480.db2.gz TZMURVCPVBPXPW-SECBINFHSA-N -1 3 370.408 2.482 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccncc1OCC(F)F ZINC000443220582 560075106 /nfs/dbraw/zinc/07/51/06/560075106.db2.gz AKXKTKXIWUTFIY-UHFFFAOYSA-N -1 3 373.337 2.112 20 5 FEBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443297828 560078531 /nfs/dbraw/zinc/07/85/31/560078531.db2.gz SYFYVSSTDINOKY-NOZJJQNGSA-N -1 3 350.824 2.324 20 5 FEBDHM Cc1cccc(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1F ZINC000443994031 560098916 /nfs/dbraw/zinc/09/89/16/560098916.db2.gz QZXKYVRAIBEYBL-UHFFFAOYSA-N -1 3 364.358 2.397 20 5 FEBDHM Cc1cc([C@@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000447578512 560164908 /nfs/dbraw/zinc/16/49/08/560164908.db2.gz FXUVGOOYCVUFEP-GFCCVEGCSA-N -1 3 367.427 2.434 20 5 FEBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451664781 560320661 /nfs/dbraw/zinc/32/06/61/560320661.db2.gz OZWPQSXQVDXPHG-HNNXBMFYSA-N -1 3 364.423 2.439 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451868217 560333457 /nfs/dbraw/zinc/33/34/57/560333457.db2.gz ZQFWCEVVRXRUQZ-BBRMVZONSA-N -1 3 374.459 2.171 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C)O ZINC000451889134 560334926 /nfs/dbraw/zinc/33/49/26/560334926.db2.gz JZVHGDMUTDVHRD-GMSGAONNSA-N -1 3 356.322 2.051 20 5 FEBDHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451977394 560341618 /nfs/dbraw/zinc/34/16/18/560341618.db2.gz NJJHPJJDYDMSDV-NSHDSACASA-N -1 3 368.333 2.317 20 5 FEBDHM CC1(C)CCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452089221 560350563 /nfs/dbraw/zinc/35/05/63/560350563.db2.gz PIERBHWAHYGTHQ-UHFFFAOYSA-N -1 3 361.851 2.401 20 5 FEBDHM O=c1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[n-]1 ZINC000459386747 560683647 /nfs/dbraw/zinc/68/36/47/560683647.db2.gz YIUDZYRXXKYAOR-LBPRGKRZSA-N -1 3 356.386 2.049 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C ZINC000461820836 560785010 /nfs/dbraw/zinc/78/50/10/560785010.db2.gz VASPELUKIGQBEO-GHMZBOCLSA-N -1 3 356.400 2.096 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000463864094 560827054 /nfs/dbraw/zinc/82/70/54/560827054.db2.gz GOQYQUJQOCIPJW-GJZGRUSLSA-N -1 3 372.443 2.474 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467068605 560902765 /nfs/dbraw/zinc/90/27/65/560902765.db2.gz LOAINGIPUJSAIT-LLVKDONJSA-N -1 3 360.388 2.116 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(F)c1 ZINC000467765966 560916911 /nfs/dbraw/zinc/91/69/11/560916911.db2.gz BYMPRJGXYYMREK-UHFFFAOYSA-N -1 3 370.358 2.230 20 5 FEBDHM CO[C@H](CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000469029380 560945385 /nfs/dbraw/zinc/94/53/85/560945385.db2.gz QOESZSPBIKAESR-GFCCVEGCSA-N -1 3 370.349 2.457 20 5 FEBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000472204945 561021095 /nfs/dbraw/zinc/02/10/95/561021095.db2.gz IAZOIDYQQPPSOW-UHFFFAOYSA-N -1 3 350.824 2.468 20 5 FEBDHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC ZINC000477143994 561137844 /nfs/dbraw/zinc/13/78/44/561137844.db2.gz YUYCKALIEJBPIE-TXNVCOODSA-N -1 3 356.400 2.079 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCCC1 ZINC000531333887 562442438 /nfs/dbraw/zinc/44/24/38/562442438.db2.gz ZNEHLQJAAWNOKK-UHFFFAOYSA-N -1 3 370.427 2.448 20 5 FEBDHM Cc1ncc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000541308281 562608534 /nfs/dbraw/zinc/60/85/34/562608534.db2.gz FXPDIYJUUOHMRT-UHFFFAOYSA-N -1 3 365.777 2.094 20 5 FEBDHM CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N(C)C ZINC000568515734 568045781 /nfs/dbraw/zinc/04/57/81/568045781.db2.gz CTCRBPWZUGUNMK-NEPJUHHUSA-N -1 3 359.835 2.071 20 5 FEBDHM CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N(C)C ZINC000568515737 568045826 /nfs/dbraw/zinc/04/58/26/568045826.db2.gz CTCRBPWZUGUNMK-VXGBXAGGSA-N -1 3 359.835 2.071 20 5 FEBDHM CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821357131 599099995 /nfs/dbraw/zinc/09/99/95/599099995.db2.gz ADMBEXBIWDFGTD-OLZOCXBDSA-N -1 3 359.390 2.320 20 5 FEBDHM CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821357131 599099997 /nfs/dbraw/zinc/09/99/97/599099997.db2.gz ADMBEXBIWDFGTD-OLZOCXBDSA-N -1 3 359.390 2.320 20 5 FEBDHM O=[N+]([O-])c1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738370204 599160439 /nfs/dbraw/zinc/16/04/39/599160439.db2.gz RMFJOHPKHHLMMP-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM O=[N+]([O-])c1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738370204 599160441 /nfs/dbraw/zinc/16/04/41/599160441.db2.gz RMFJOHPKHHLMMP-UHFFFAOYSA-N -1 3 365.309 2.404 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737501755 599171587 /nfs/dbraw/zinc/17/15/87/599171587.db2.gz SVOFBHUUPWGTOL-CQSZACIVSA-N -1 3 352.358 2.363 20 5 FEBDHM Cc1ncc2c(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737501755 599171589 /nfs/dbraw/zinc/17/15/89/599171589.db2.gz SVOFBHUUPWGTOL-CQSZACIVSA-N -1 3 352.358 2.363 20 5 FEBDHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1[N+](=O)[O-] ZINC000821702991 607266288 /nfs/dbraw/zinc/26/62/88/607266288.db2.gz JVKSHNZRUMWUTD-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC000821702991 607266289 /nfs/dbraw/zinc/26/62/89/607266289.db2.gz JVKSHNZRUMWUTD-UHFFFAOYSA-N -1 3 354.326 2.344 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737500852 598331852 /nfs/dbraw/zinc/33/18/52/598331852.db2.gz QSHDRSISQNKAKW-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737500852 598331853 /nfs/dbraw/zinc/33/18/53/598331853.db2.gz QSHDRSISQNKAKW-SNVBAGLBSA-N -1 3 354.326 2.396 20 5 FEBDHM CCc1nccn1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736705559 598339039 /nfs/dbraw/zinc/33/90/39/598339039.db2.gz KFMABPPFJGTZLX-ZDUSSCGKSA-N -1 3 368.401 2.375 20 5 FEBDHM Cc1cc(C)n([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737255858 598339569 /nfs/dbraw/zinc/33/95/69/598339569.db2.gz JTAANTZOFTWNPB-AWEZNQCLSA-N -1 3 368.401 2.430 20 5 FEBDHM Cc1cc(C)n([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737255858 598339572 /nfs/dbraw/zinc/33/95/72/598339572.db2.gz JTAANTZOFTWNPB-AWEZNQCLSA-N -1 3 368.401 2.430 20 5 FEBDHM Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cn21 ZINC000737419622 598593754 /nfs/dbraw/zinc/59/37/54/598593754.db2.gz ZDAXKPCCBNVSEZ-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cn21 ZINC000737419622 598593756 /nfs/dbraw/zinc/59/37/56/598593756.db2.gz ZDAXKPCCBNVSEZ-UHFFFAOYSA-N -1 3 350.342 2.343 20 5 FEBDHM O=[N+]([O-])c1ccc(Sc2nnnn2C2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823645128 599327751 /nfs/dbraw/zinc/32/77/51/599327751.db2.gz OKLBKSAMBXECKH-UHFFFAOYSA-N -1 3 359.375 2.028 20 5 FEBDHM O=[N+]([O-])c1ccc(Sc2nnnn2C2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823645128 599327754 /nfs/dbraw/zinc/32/77/54/599327754.db2.gz OKLBKSAMBXECKH-UHFFFAOYSA-N -1 3 359.375 2.028 20 5 FEBDHM C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372939 599411164 /nfs/dbraw/zinc/41/11/64/599411164.db2.gz DTYDPHZHDLYRTJ-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372939 599411165 /nfs/dbraw/zinc/41/11/65/599411165.db2.gz DTYDPHZHDLYRTJ-LLVKDONJSA-N -1 3 367.369 2.335 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])cc1C=O ZINC000821749477 607377420 /nfs/dbraw/zinc/37/74/20/607377420.db2.gz NWTHRQVIDMKAAX-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc([N+](=O)[O-])cc1C=O ZINC000821749477 607377422 /nfs/dbraw/zinc/37/74/22/607377422.db2.gz NWTHRQVIDMKAAX-UHFFFAOYSA-N -1 3 355.310 2.175 20 5 FEBDHM CC(C)C[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820062818 599505382 /nfs/dbraw/zinc/50/53/82/599505382.db2.gz PEOZUCSBIRDLQZ-NSHDSACASA-N -1 3 357.374 2.142 20 5 FEBDHM CC(C)C[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820062818 599505385 /nfs/dbraw/zinc/50/53/85/599505385.db2.gz PEOZUCSBIRDLQZ-NSHDSACASA-N -1 3 357.374 2.142 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[C@@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823643775 599572034 /nfs/dbraw/zinc/57/20/34/599572034.db2.gz AQGMORJBJDXTTJ-BMIGLBTASA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[C@@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000823643775 599572036 /nfs/dbraw/zinc/57/20/36/599572036.db2.gz AQGMORJBJDXTTJ-BMIGLBTASA-N -1 3 369.385 2.286 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000826253797 607407949 /nfs/dbraw/zinc/40/79/49/607407949.db2.gz DVYQLAJQHDOFMS-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000826253797 607407950 /nfs/dbraw/zinc/40/79/50/607407950.db2.gz DVYQLAJQHDOFMS-UHFFFAOYSA-N -1 3 369.337 2.206 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824655840 607564654 /nfs/dbraw/zinc/56/46/54/607564654.db2.gz GDEAYPIYIHDODF-ZBEGNZNMSA-N -1 3 354.370 2.179 20 5 FEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824655840 607564655 /nfs/dbraw/zinc/56/46/55/607564655.db2.gz GDEAYPIYIHDODF-ZBEGNZNMSA-N -1 3 354.370 2.179 20 5 FEBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000826200692 607579765 /nfs/dbraw/zinc/57/97/65/607579765.db2.gz DGUPIGYVGHXFGU-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000826200692 607579766 /nfs/dbraw/zinc/57/97/66/607579766.db2.gz DGUPIGYVGHXFGU-UHFFFAOYSA-N -1 3 368.353 2.022 20 5 FEBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000826205928 607603868 /nfs/dbraw/zinc/60/38/68/607603868.db2.gz UPPCYAWHCXZIPE-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000826205928 607603869 /nfs/dbraw/zinc/60/38/69/607603869.db2.gz UPPCYAWHCXZIPE-UHFFFAOYSA-N -1 3 369.337 2.449 20 5 FEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000821619472 606061773 /nfs/dbraw/zinc/06/17/73/606061773.db2.gz YORSVSCTKFRUOY-AWEZNQCLSA-N -1 3 354.370 2.335 20 5 FEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000821619472 606061778 /nfs/dbraw/zinc/06/17/78/606061778.db2.gz YORSVSCTKFRUOY-AWEZNQCLSA-N -1 3 354.370 2.335 20 5 FEBDHM COc1ccc([C@H](CCO)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821778232 606101381 /nfs/dbraw/zinc/10/13/81/606101381.db2.gz WYGIAHPGVDUMKS-AWEZNQCLSA-N -1 3 370.369 2.319 20 5 FEBDHM COc1ccc([C@H](CCO)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821778232 606101383 /nfs/dbraw/zinc/10/13/83/606101383.db2.gz WYGIAHPGVDUMKS-AWEZNQCLSA-N -1 3 370.369 2.319 20 5 FEBDHM O=[N+]([O-])c1cccnc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823648587 606482085 /nfs/dbraw/zinc/48/20/85/606482085.db2.gz XNJGIQLKBOVPKL-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1cccnc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823648587 606482087 /nfs/dbraw/zinc/48/20/87/606482087.db2.gz XNJGIQLKBOVPKL-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822271145 606660875 /nfs/dbraw/zinc/66/08/75/606660875.db2.gz NZQIHYJGPAUYTA-UHFFFAOYSA-N -1 3 368.353 2.409 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822271145 606660876 /nfs/dbraw/zinc/66/08/76/606660876.db2.gz NZQIHYJGPAUYTA-UHFFFAOYSA-N -1 3 368.353 2.409 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822983943 606750160 /nfs/dbraw/zinc/75/01/60/606750160.db2.gz YYMBVTGCAOZLPB-UHFFFAOYSA-N -1 3 353.338 2.451 20 5 FEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822983943 606750162 /nfs/dbraw/zinc/75/01/62/606750162.db2.gz YYMBVTGCAOZLPB-UHFFFAOYSA-N -1 3 353.338 2.451 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821670117 607008809 /nfs/dbraw/zinc/00/88/09/607008809.db2.gz OASHUYDYZUOXRD-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821670117 607008810 /nfs/dbraw/zinc/00/88/10/607008810.db2.gz OASHUYDYZUOXRD-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000823635324 607008939 /nfs/dbraw/zinc/00/89/39/607008939.db2.gz VTLHGWJBINVBMB-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000823635324 607008940 /nfs/dbraw/zinc/00/89/40/607008940.db2.gz VTLHGWJBINVBMB-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(F)c(-c4nnn[n-]4)c3)n2)c1 ZINC000823645563 607009272 /nfs/dbraw/zinc/00/92/72/607009272.db2.gz TZUFRVBVSBLFCC-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(F)c(-c4nn[n-]n4)c3)n2)c1 ZINC000823645563 607009273 /nfs/dbraw/zinc/00/92/73/607009273.db2.gz TZUFRVBVSBLFCC-UHFFFAOYSA-N -1 3 366.316 2.221 20 5 FEBDHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(N)c([N+](=O)[O-])c1 ZINC000822183852 607082429 /nfs/dbraw/zinc/08/24/29/607082429.db2.gz KFQDDDVOVVQARL-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(N)c([N+](=O)[O-])c1 ZINC000822183852 607082430 /nfs/dbraw/zinc/08/24/30/607082430.db2.gz KFQDDDVOVVQARL-UHFFFAOYSA-N -1 3 372.316 2.162 20 5 FEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000821305131 607101285 /nfs/dbraw/zinc/10/12/85/607101285.db2.gz YJOICFJCDBGJFI-UHFFFAOYSA-N -1 3 353.342 2.459 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1c(F)cccc1F ZINC000826499466 607876606 /nfs/dbraw/zinc/87/66/06/607876606.db2.gz JNPMFVHLCGBWAR-LBPRGKRZSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1c(F)cccc1F ZINC000826499466 607876607 /nfs/dbraw/zinc/87/66/07/607876607.db2.gz JNPMFVHLCGBWAR-LBPRGKRZSA-N -1 3 363.280 2.166 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826245885 607956630 /nfs/dbraw/zinc/95/66/30/607956630.db2.gz KWUHSIOZFTWKOU-UHFFFAOYSA-N -1 3 364.365 2.282 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826245885 607956631 /nfs/dbraw/zinc/95/66/31/607956631.db2.gz KWUHSIOZFTWKOU-UHFFFAOYSA-N -1 3 364.365 2.282 20 5 FEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826250538 608003318 /nfs/dbraw/zinc/00/33/18/608003318.db2.gz GDUYDMLOCNYWAK-UHFFFAOYSA-N -1 3 364.325 2.212 20 5 FEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826250538 608003319 /nfs/dbraw/zinc/00/33/19/608003319.db2.gz GDUYDMLOCNYWAK-UHFFFAOYSA-N -1 3 364.325 2.212 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826304345 608008705 /nfs/dbraw/zinc/00/87/05/608008705.db2.gz IAGSKMLHFHTTOB-UHFFFAOYSA-N -1 3 355.310 2.068 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826304345 608008706 /nfs/dbraw/zinc/00/87/06/608008706.db2.gz IAGSKMLHFHTTOB-UHFFFAOYSA-N -1 3 355.310 2.068 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826304697 608008743 /nfs/dbraw/zinc/00/87/43/608008743.db2.gz VBYCGVKXLHWPIS-UHFFFAOYSA-N -1 3 355.310 2.068 20 5 FEBDHM O=C(COC1CCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826416703 608163646 /nfs/dbraw/zinc/16/36/46/608163646.db2.gz LHBMEQLCJSMVHJ-UHFFFAOYSA-N -1 3 366.765 2.326 20 5 FEBDHM O=C(COC1CCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826416703 608163647 /nfs/dbraw/zinc/16/36/47/608163647.db2.gz LHBMEQLCJSMVHJ-UHFFFAOYSA-N -1 3 366.765 2.326 20 5 FEBDHM Cc1ocnc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826342838 608192660 /nfs/dbraw/zinc/19/26/60/608192660.db2.gz BQOJRXCZWLKECW-UHFFFAOYSA-N -1 3 352.314 2.232 20 5 FEBDHM Cc1ocnc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826342838 608192662 /nfs/dbraw/zinc/19/26/62/608192662.db2.gz BQOJRXCZWLKECW-UHFFFAOYSA-N -1 3 352.314 2.232 20 5 FEBDHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000826459981 608571134 /nfs/dbraw/zinc/57/11/34/608571134.db2.gz IKNUZDCPUOGAHD-UHFFFAOYSA-N -1 3 365.353 2.301 20 5 FEBDHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000826459981 608571135 /nfs/dbraw/zinc/57/11/35/608571135.db2.gz IKNUZDCPUOGAHD-UHFFFAOYSA-N -1 3 365.353 2.301 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500799 608585120 /nfs/dbraw/zinc/58/51/20/608585120.db2.gz MQOGNXYCFAFDAK-CYBMUJFWSA-N -1 3 358.383 2.414 20 5 FEBDHM O=[N+]([O-])c1ccsc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500799 608585122 /nfs/dbraw/zinc/58/51/22/608585122.db2.gz MQOGNXYCFAFDAK-CYBMUJFWSA-N -1 3 358.383 2.414 20 5 FEBDHM COc1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826208204 609304982 /nfs/dbraw/zinc/30/49/82/609304982.db2.gz YGCNSQNOGAYDQT-UHFFFAOYSA-N -1 3 373.398 2.483 20 5 FEBDHM COc1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826208204 609304984 /nfs/dbraw/zinc/30/49/84/609304984.db2.gz YGCNSQNOGAYDQT-UHFFFAOYSA-N -1 3 373.398 2.483 20 5 FEBDHM Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826336880 609305881 /nfs/dbraw/zinc/30/58/81/609305881.db2.gz SHFJMHNPSZTMCA-UHFFFAOYSA-N -1 3 371.382 2.157 20 5 FEBDHM Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000826336880 609305882 /nfs/dbraw/zinc/30/58/82/609305882.db2.gz SHFJMHNPSZTMCA-UHFFFAOYSA-N -1 3 371.382 2.157 20 5 FEBDHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000752101118 609477022 /nfs/dbraw/zinc/47/70/22/609477022.db2.gz FILXXOBZBWJNSK-ZRDIBKRKSA-N -1 3 364.365 2.495 20 5 FEBDHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000752101118 609477025 /nfs/dbraw/zinc/47/70/25/609477025.db2.gz FILXXOBZBWJNSK-ZRDIBKRKSA-N -1 3 364.365 2.495 20 5 FEBDHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)co1 ZINC000813243836 674731446 /nfs/dbraw/zinc/73/14/46/674731446.db2.gz AFXLCWKDUYJPED-UHFFFAOYSA-N -1 3 373.774 2.344 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1cccnc1 ZINC000114498208 670890887 /nfs/dbraw/zinc/89/08/87/670890887.db2.gz SVJPHNRNVBSTAI-UHFFFAOYSA-N -1 3 357.775 2.001 20 5 FEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc(C)n1 ZINC000571902743 670938495 /nfs/dbraw/zinc/93/84/95/670938495.db2.gz QTECCOVQSHLSGZ-UHFFFAOYSA-N -1 3 350.400 2.097 20 5 FEBDHM CCc1ccc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000565833543 675154648 /nfs/dbraw/zinc/15/46/48/675154648.db2.gz IPZKXGIITXWFHO-UHFFFAOYSA-N -1 3 350.400 2.419 20 5 FEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545624 675925632 /nfs/dbraw/zinc/92/56/32/675925632.db2.gz HCCNRFNQLUINLA-LBPRGKRZSA-N -1 3 361.851 2.401 20 5 FEBDHM COc1cc(OCC(=O)NCc2ccc([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000610011632 675946969 /nfs/dbraw/zinc/94/69/69/675946969.db2.gz JHCDILOFJLDGCY-UHFFFAOYSA-N -1 3 350.302 2.143 20 5 FEBDHM Cc1cnc2c(cccc2S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000125599663 672013807 /nfs/dbraw/zinc/01/38/07/672013807.db2.gz LQVFVKHLEGXAJK-UHFFFAOYSA-N -1 3 359.367 2.152 20 5 FEBDHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000126406533 672024215 /nfs/dbraw/zinc/02/42/15/672024215.db2.gz XXCLWALEFAZWNV-UHFFFAOYSA-N -1 3 371.802 2.365 20 5 FEBDHM COCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173091334 672348053 /nfs/dbraw/zinc/34/80/53/672348053.db2.gz GCAWRIBTNYBSSW-QMMMGPOBSA-N -1 3 367.221 2.061 20 5 FEBDHM CSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173174156 672348536 /nfs/dbraw/zinc/34/85/36/672348536.db2.gz QVFQLVSLEHFDQW-UHFFFAOYSA-N -1 3 369.262 2.389 20 5 FEBDHM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000178613326 672393038 /nfs/dbraw/zinc/39/30/38/672393038.db2.gz NWRQNYKDXGAPIK-SNVBAGLBSA-N -1 3 354.359 2.266 20 5 FEBDHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000193621205 672731341 /nfs/dbraw/zinc/73/13/41/672731341.db2.gz UAIUZTNOYQOGQK-UHFFFAOYSA-N -1 3 373.749 2.287 20 5 FEBDHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593536993 672936750 /nfs/dbraw/zinc/93/67/50/672936750.db2.gz ZZPMLVPVOMEJJE-LBPRGKRZSA-N -1 3 365.411 2.298 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)nc1 ZINC000593537432 672937003 /nfs/dbraw/zinc/93/70/03/672937003.db2.gz JTUNIJNSELUPKN-UHFFFAOYSA-N -1 3 351.359 2.487 20 5 FEBDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000593557453 672942202 /nfs/dbraw/zinc/94/22/02/672942202.db2.gz BTUVZPZBVPGGDQ-LBPRGKRZSA-N -1 3 373.431 2.025 20 5 FEBDHM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593611052 672957777 /nfs/dbraw/zinc/95/77/77/672957777.db2.gz IDBCLHLZOARRPX-UHFFFAOYSA-N -1 3 373.431 2.026 20 5 FEBDHM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1 ZINC000594831156 673155408 /nfs/dbraw/zinc/15/54/08/673155408.db2.gz FZAWFBRRMSNFCZ-YGUOUDRMSA-N -1 3 370.427 2.136 20 5 FEBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599527190 673688577 /nfs/dbraw/zinc/68/85/77/673688577.db2.gz HIUAXBJKWFAQGY-MRXNPFEDSA-N -1 3 363.395 2.428 20 5 FEBDHM CSC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOCC1 ZINC000601356688 673847631 /nfs/dbraw/zinc/84/76/31/673847631.db2.gz DNYGAQPIJKWADZ-UHFFFAOYSA-N -1 3 366.486 2.155 20 5 FEBDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000818780136 675237020 /nfs/dbraw/zinc/23/70/20/675237020.db2.gz KSUQSVFRQMVZIM-UHFFFAOYSA-N -1 3 354.315 2.321 20 5 FEBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccnn1C ZINC000615946704 676234684 /nfs/dbraw/zinc/23/46/84/676234684.db2.gz DWDUPCWAIZKXJQ-LBPRGKRZSA-N -1 3 370.406 2.186 20 5 FEBDHM CN(C)c1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(=O)[n-]1 ZINC000765975047 680861940 /nfs/dbraw/zinc/86/19/40/680861940.db2.gz ROXUKFKKSKOMQE-UHFFFAOYSA-N -1 3 365.777 2.082 20 5 FEBDHM CCCCC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000751986427 680215566 /nfs/dbraw/zinc/21/55/66/680215566.db2.gz CTAKTEVOLHTETJ-CQSZACIVSA-N -1 3 358.416 2.136 20 5 FEBDHM CCCCC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000752003976 680217351 /nfs/dbraw/zinc/21/73/51/680217351.db2.gz UQLAWFXTPFYHPC-CQSZACIVSA-N -1 3 358.416 2.136 20 5 FEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(C)n2)cc1[N+](=O)[O-] ZINC000752235341 680231067 /nfs/dbraw/zinc/23/10/67/680231067.db2.gz LGDWWHHUIUAWRX-UHFFFAOYSA-N -1 3 356.791 2.134 20 5 FEBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000752975208 680268434 /nfs/dbraw/zinc/26/84/34/680268434.db2.gz HZQFTHMPDADGFD-UHFFFAOYSA-N -1 3 369.131 2.119 20 5 FEBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000752975208 680268437 /nfs/dbraw/zinc/26/84/37/680268437.db2.gz HZQFTHMPDADGFD-UHFFFAOYSA-N -1 3 369.131 2.119 20 5 FEBDHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841492384 680887070 /nfs/dbraw/zinc/88/70/70/680887070.db2.gz JAWJBDFPKBFVBR-SNVBAGLBSA-N -1 3 370.349 2.299 20 5 FEBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841523890 680891550 /nfs/dbraw/zinc/89/15/50/680891550.db2.gz IIRLIQPRKGMASP-MRVPVSSYSA-N -1 3 368.242 2.132 20 5 FEBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000841529278 680892488 /nfs/dbraw/zinc/89/24/88/680892488.db2.gz GNALFVUJMIKXJN-UHFFFAOYSA-N -1 3 353.803 2.006 20 5 FEBDHM CC[C@H](C)Oc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000849307732 681682599 /nfs/dbraw/zinc/68/25/99/681682599.db2.gz DKSJHQRGNFYPOE-NSHDSACASA-N -1 3 366.399 2.473 20 5 FEBDHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782332194 682030430 /nfs/dbraw/zinc/03/04/30/682030430.db2.gz LWJMELHUOVPKKG-UHFFFAOYSA-N -1 3 364.741 2.427 20 5 FEBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795827863 683095446 /nfs/dbraw/zinc/09/54/46/683095446.db2.gz DGVOZWYLOMSBGK-SECBINFHSA-N -1 3 365.814 2.007 20 5 FEBDHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796104110 683128432 /nfs/dbraw/zinc/12/84/32/683128432.db2.gz NRJZDUMGKLPAFS-BZNIZROVSA-N -1 3 368.386 2.443 20 5 FEBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000910454164 685058469 /nfs/dbraw/zinc/05/84/69/685058469.db2.gz FCDFQQLDVKKTDX-JTQLQIEISA-N -1 3 350.400 2.190 20 5 FEBDHM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000907723643 691546435 /nfs/dbraw/zinc/54/64/35/691546435.db2.gz MSDMQNCUPXKDRP-FDMSEYEVSA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C2CC3(C2)CO[C@@H](C)C3)c(F)cc1[N+](=O)[O-] ZINC000907730385 691548542 /nfs/dbraw/zinc/54/85/42/691548542.db2.gz CGVLJMWQVCOMCE-NLTNOIMHSA-N -1 3 358.391 2.278 20 5 FEBDHM O=C([N-]C1=NCCS1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024802311 539741368 /nfs/dbraw/zinc/74/13/68/539741368.db2.gz MVQGZMMSVGRQLD-HIFRSBDPSA-N -1 3 360.439 2.345 20 5 FEBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[n-]c2ccccc2c1=O ZINC000032713768 539948256 /nfs/dbraw/zinc/94/82/56/539948256.db2.gz HXNHLONZJMLXGH-UHFFFAOYSA-N -1 3 352.350 2.278 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1 ZINC000046034194 540238432 /nfs/dbraw/zinc/23/84/32/540238432.db2.gz RLTBKYXERWNEGS-LBPRGKRZSA-N -1 3 364.379 2.022 20 5 FEBDHM Cc1nn(C)c2ncc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc12 ZINC000046331043 540251983 /nfs/dbraw/zinc/25/19/83/540251983.db2.gz ZBKBCANLUOAKCF-UHFFFAOYSA-N -1 3 351.326 2.314 20 5 FEBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077615995 542402913 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359.423 2.133 20 5 FEBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000124122530 543801836 /nfs/dbraw/zinc/80/18/36/543801836.db2.gz UBSWMDPTSHZLDV-UHFFFAOYSA-N -1 3 356.338 2.403 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](C)N(C3CC3)C2)cc1C ZINC000126218769 543924296 /nfs/dbraw/zinc/92/42/96/543924296.db2.gz MMJSVYZBSVYEHG-STQMWFEESA-N -1 3 353.444 2.115 20 5 FEBDHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129139782 544092780 /nfs/dbraw/zinc/09/27/80/544092780.db2.gz XMNNIVFNYARRPB-ZETCQYMHSA-N -1 3 369.262 2.387 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000186488186 327964507 /nfs/dbraw/zinc/96/45/07/327964507.db2.gz MBDDULJFQZMJPX-SECBINFHSA-N -1 3 371.440 2.450 20 5 FEBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188228125 328074551 /nfs/dbraw/zinc/07/45/51/328074551.db2.gz BOFLMXSIBVZFSL-VXGBXAGGSA-N -1 3 359.423 2.133 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000190054829 328184993 /nfs/dbraw/zinc/18/49/93/328184993.db2.gz CPDDUCHEDRLGBX-HNNXBMFYSA-N -1 3 364.423 2.266 20 5 FEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000194399574 328422704 /nfs/dbraw/zinc/42/27/04/328422704.db2.gz FUOKUUUGCCQZDD-UHFFFAOYSA-N -1 3 355.397 2.093 20 5 FEBDHM CC1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055591609 324781914 /nfs/dbraw/zinc/78/19/14/324781914.db2.gz GCNRTPDRFZJOJG-UHFFFAOYSA-N -1 3 361.851 2.258 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000088780522 325301684 /nfs/dbraw/zinc/30/16/84/325301684.db2.gz AJFLDFLWXIRXFV-UHFFFAOYSA-N -1 3 353.400 2.327 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120618924 326273624 /nfs/dbraw/zinc/27/36/24/326273624.db2.gz DOTLQZJJAOQJGU-UHFFFAOYSA-N -1 3 368.353 2.106 20 5 FEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120618924 326273626 /nfs/dbraw/zinc/27/36/26/326273626.db2.gz DOTLQZJJAOQJGU-UHFFFAOYSA-N -1 3 368.353 2.106 20 5 FEBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000121168695 326318591 /nfs/dbraw/zinc/31/85/91/326318591.db2.gz OCWBFYJUHUUTBQ-LBPRGKRZSA-N -1 3 371.397 2.046 20 5 FEBDHM CN1CCc2nc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000122200750 326387716 /nfs/dbraw/zinc/38/77/16/326387716.db2.gz GEFAGCLFAPJIHV-UHFFFAOYSA-N -1 3 358.383 2.168 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC000162637105 327030694 /nfs/dbraw/zinc/03/06/94/327030694.db2.gz KQICVRDGSZSZKK-DZGCQCFKSA-N -1 3 354.428 2.448 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000162781600 327034655 /nfs/dbraw/zinc/03/46/55/327034655.db2.gz YZZZDPCPWPWTTL-KWQFWETISA-N -1 3 368.333 2.053 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000163387649 327050411 /nfs/dbraw/zinc/05/04/11/327050411.db2.gz KGSCAYSHWLDYEW-DTWKUNHWSA-N -1 3 368.333 2.317 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167305468 327084682 /nfs/dbraw/zinc/08/46/82/327084682.db2.gz FUMNHCKVWFOHDK-DFBGVHRSSA-N -1 3 352.412 2.221 20 5 FEBDHM COC(=O)c1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc([N+](=O)[O-])c1 ZINC000265589311 329141200 /nfs/dbraw/zinc/14/12/00/329141200.db2.gz KDPDPLDDICJQNZ-UHFFFAOYSA-N -1 3 374.353 2.065 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000268969760 329473556 /nfs/dbraw/zinc/47/35/56/329473556.db2.gz LFKFXQABKWQHNR-LBPRGKRZSA-N -1 3 370.427 2.374 20 5 FEBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000272416348 329779133 /nfs/dbraw/zinc/77/91/33/329779133.db2.gz MOANCNRIOMJGGI-LBPRGKRZSA-N -1 3 370.383 2.253 20 5 FEBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)no1 ZINC000272464968 329783480 /nfs/dbraw/zinc/78/34/80/329783480.db2.gz MFDVEVJZMMULPG-UHFFFAOYSA-N -1 3 374.806 2.462 20 5 FEBDHM O=C(NCC1CCN(c2ccncc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272536382 329789381 /nfs/dbraw/zinc/78/93/81/329789381.db2.gz JYAMOFCGKZTCNJ-UHFFFAOYSA-N -1 3 356.382 2.342 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000275075206 330007755 /nfs/dbraw/zinc/00/77/55/330007755.db2.gz LVAOAVFGULXBKO-VIFPVBQESA-N -1 3 364.395 2.224 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCSCC2)cc1[N+](=O)[O-] ZINC000275117284 330012517 /nfs/dbraw/zinc/01/25/17/330012517.db2.gz XSJDBRCSSXQMSJ-UHFFFAOYSA-N -1 3 364.420 2.164 20 5 FEBDHM CCOc1cc(NC([O-])=NOC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC ZINC000276341126 330142886 /nfs/dbraw/zinc/14/28/86/330142886.db2.gz HBCHLJSDZKHMOQ-NSHDSACASA-N -1 3 369.374 2.482 20 5 FEBDHM CCOc1cc(NC(=O)[N-]OC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC ZINC000276341126 330142887 /nfs/dbraw/zinc/14/28/87/330142887.db2.gz HBCHLJSDZKHMOQ-NSHDSACASA-N -1 3 369.374 2.482 20 5 FEBDHM C[C@@H]1CCNC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840959 330276327 /nfs/dbraw/zinc/27/63/27/330276327.db2.gz CGQDLTAJVRDALB-GMSGAONNSA-N -1 3 368.242 2.178 20 5 FEBDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000805120646 674320137 /nfs/dbraw/zinc/32/01/37/674320137.db2.gz BQPKLSIHJGKFIF-CYBMUJFWSA-N -1 3 373.431 2.377 20 5 FEBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155831607 545574066 /nfs/dbraw/zinc/57/40/66/545574066.db2.gz NFUSKKJYRPJLMS-UHFFFAOYSA-N -1 3 353.400 2.327 20 5 FEBDHM Cc1oc(C(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N(C)C ZINC000176499788 546454321 /nfs/dbraw/zinc/45/43/21/546454321.db2.gz XNZDUAMCEHBRHX-UHFFFAOYSA-N -1 3 367.383 2.307 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C ZINC000481512796 561234763 /nfs/dbraw/zinc/23/47/63/561234763.db2.gz SXPVIZBFZCRZIM-LLVKDONJSA-N -1 3 360.432 2.069 20 5 FEBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000178945296 546877614 /nfs/dbraw/zinc/87/76/14/546877614.db2.gz LFKUIUVBCGSMED-YOEHRIQHSA-N -1 3 361.423 2.319 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCc2cnn(C)c2)c1 ZINC000183635559 547693641 /nfs/dbraw/zinc/69/36/41/547693641.db2.gz OYSHXXUNQKLNSC-UHFFFAOYSA-N -1 3 372.834 2.201 20 5 FEBDHM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186572877 548153630 /nfs/dbraw/zinc/15/36/30/548153630.db2.gz IMJHKLGXHZFMJW-GUYCJALGSA-N -1 3 370.409 2.336 20 5 FEBDHM CN(Cc1ccccc1)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000194031659 548425161 /nfs/dbraw/zinc/42/51/61/548425161.db2.gz FSBCBUVNZVENDS-QGZVFWFLSA-N -1 3 370.409 2.336 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000198859322 548664061 /nfs/dbraw/zinc/66/40/61/548664061.db2.gz SLAUUBPYCOJHCJ-UHFFFAOYSA-N -1 3 366.395 2.351 20 5 FEBDHM C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000248471055 549446252 /nfs/dbraw/zinc/44/62/52/549446252.db2.gz IMJHKLGXHZFMJW-SUMWQHHRSA-N -1 3 370.409 2.336 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000491586238 561446708 /nfs/dbraw/zinc/44/67/08/561446708.db2.gz LHSTVLZLTCHARG-LBPRGKRZSA-N -1 3 364.395 2.082 20 5 FEBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000269795899 550226067 /nfs/dbraw/zinc/22/60/67/550226067.db2.gz RNBWGQPGPHGHGM-ZDUSSCGKSA-N -1 3 354.384 2.125 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000273548904 550502580 /nfs/dbraw/zinc/50/25/80/550502580.db2.gz MCGQLQJWHLDWMV-VXGBXAGGSA-N -1 3 358.416 2.087 20 5 FEBDHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274867932 550561149 /nfs/dbraw/zinc/56/11/49/550561149.db2.gz CSSHAFCETWHXPU-UHFFFAOYSA-N -1 3 358.354 2.093 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)c1[N+](=O)[O-] ZINC000285403192 551750752 /nfs/dbraw/zinc/75/07/52/551750752.db2.gz UIIXHIDISQSGFQ-GFCCVEGCSA-N -1 3 367.431 2.016 20 5 FEBDHM CCC(=O)c1ccc(N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c([N+](=O)[O-])c1 ZINC000286536304 551897311 /nfs/dbraw/zinc/89/73/11/551897311.db2.gz YYKPGCXMKCPDAR-KZULUSFZSA-N -1 3 374.397 2.145 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@H](O)c1ccccc1 ZINC000288454314 552156224 /nfs/dbraw/zinc/15/62/24/552156224.db2.gz RRYWUQMDRXLYHF-BZNIZROVSA-N -1 3 366.395 2.004 20 5 FEBDHM CC(C)(C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000501257725 561593397 /nfs/dbraw/zinc/59/33/97/561593397.db2.gz LMMUIKIQVPGNPF-UHFFFAOYSA-N -1 3 357.292 2.326 20 5 FEBDHM CC(C)(C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000501257725 561593398 /nfs/dbraw/zinc/59/33/98/561593398.db2.gz LMMUIKIQVPGNPF-UHFFFAOYSA-N -1 3 357.292 2.326 20 5 FEBDHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC000501257725 561593399 /nfs/dbraw/zinc/59/33/99/561593399.db2.gz LMMUIKIQVPGNPF-UHFFFAOYSA-N -1 3 357.292 2.326 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000295734814 553051992 /nfs/dbraw/zinc/05/19/92/553051992.db2.gz MZVXJQWJBRBNES-BDAKNGLRSA-N -1 3 368.333 2.053 20 5 FEBDHM Cn1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1Cl ZINC000298175179 553394225 /nfs/dbraw/zinc/39/42/25/553394225.db2.gz ULSGUSCCBDVYSJ-UHFFFAOYSA-N -1 3 352.734 2.395 20 5 FEBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)no1 ZINC000299570389 553582626 /nfs/dbraw/zinc/58/26/26/553582626.db2.gz BCCVDGGYIRILAH-UHFFFAOYSA-N -1 3 354.388 2.117 20 5 FEBDHM COc1cc([N-]c2ncc([N+](=O)[O-])c(N)n2)cc(OC)c1Br ZINC000302004814 553697574 /nfs/dbraw/zinc/69/75/74/553697574.db2.gz KODMHORWXPLSGN-UHFFFAOYSA-N -1 3 370.163 2.490 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000326883940 553784053 /nfs/dbraw/zinc/78/40/53/553784053.db2.gz BFEPWDHBVCBJPH-MISXGVKJSA-N -1 3 370.427 2.484 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000328391178 553794008 /nfs/dbraw/zinc/79/40/08/553794008.db2.gz NSPAKZCYLGSCEU-UHFFFAOYSA-N -1 3 364.379 2.168 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000506224808 561693511 /nfs/dbraw/zinc/69/35/11/561693511.db2.gz RBLQGERZRVGGHF-GFCCVEGCSA-N -1 3 366.395 2.349 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485276 554127744 /nfs/dbraw/zinc/12/77/44/554127744.db2.gz ARYCKTHKMACXOH-OLZOCXBDSA-N -1 3 371.459 2.002 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000330496133 554129369 /nfs/dbraw/zinc/12/93/69/554129369.db2.gz XWHZKFVXGYHFEB-TZMCWYRMSA-N -1 3 355.460 2.302 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000330496131 554129598 /nfs/dbraw/zinc/12/95/98/554129598.db2.gz XWHZKFVXGYHFEB-OCCSQVGLSA-N -1 3 355.460 2.302 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)N1CCC(C)CC1 ZINC000330763544 554168466 /nfs/dbraw/zinc/16/84/66/554168466.db2.gz OXQOQOXFALXOPB-CQSZACIVSA-N -1 3 355.460 2.302 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000330969811 554195466 /nfs/dbraw/zinc/19/54/66/554195466.db2.gz SWVPJYXMXDIYKU-JTNHKYCSSA-N -1 3 370.427 2.484 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000510619204 561840776 /nfs/dbraw/zinc/84/07/76/561840776.db2.gz XTRWPAWOXOFMEO-VIFPVBQESA-N -1 3 355.347 2.177 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)c1C ZINC000511216664 561861708 /nfs/dbraw/zinc/86/17/08/561861708.db2.gz ZGJJKPNCSQWQHL-AWEZNQCLSA-N -1 3 356.444 2.431 20 5 FEBDHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000511271361 561863385 /nfs/dbraw/zinc/86/33/85/561863385.db2.gz LOWINTVKEKBLCW-ZDUSSCGKSA-N -1 3 370.818 2.411 20 5 FEBDHM O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000365231608 555517551 /nfs/dbraw/zinc/51/75/51/555517551.db2.gz XRMDKZSSVXZQLG-HNNXBMFYSA-N -1 3 370.409 2.337 20 5 FEBDHM Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367389769 556035310 /nfs/dbraw/zinc/03/53/10/556035310.db2.gz WTJKHKXCJBUYHM-CQSZACIVSA-N -1 3 361.329 2.357 20 5 FEBDHM O=C(Nc1cnn(CCN2CCCCC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000368608817 556360822 /nfs/dbraw/zinc/36/08/22/556360822.db2.gz SBZSISYPWJMYKM-UHFFFAOYSA-N -1 3 359.386 2.235 20 5 FEBDHM Cc1cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000368743081 556403793 /nfs/dbraw/zinc/40/37/93/556403793.db2.gz UVSVHZUJLKAXON-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM Cc1cc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000368743081 556403795 /nfs/dbraw/zinc/40/37/95/556403795.db2.gz UVSVHZUJLKAXON-UHFFFAOYSA-N -1 3 354.326 2.101 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC(F)(F)F)c(Cl)c1 ZINC000515729073 562020503 /nfs/dbraw/zinc/02/05/03/562020503.db2.gz WSXBYPJSQRGWFP-UHFFFAOYSA-N -1 3 362.713 2.105 20 5 FEBDHM O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371550664 557219569 /nfs/dbraw/zinc/21/95/69/557219569.db2.gz CMUMODVDSNYWRK-HNNXBMFYSA-N -1 3 370.409 2.337 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2 ZINC000375105364 557979026 /nfs/dbraw/zinc/97/90/26/557979026.db2.gz LRUSACFABMYLFP-UHFFFAOYSA-N -1 3 370.818 2.260 20 5 FEBDHM CCCc1[nH]nc(C(=O)N=c2cc(-c3cncc(C)c3)o[n-]2)c1[N+](=O)[O-] ZINC000377586463 558371136 /nfs/dbraw/zinc/37/11/36/558371136.db2.gz ZGMBZIVDIPDEDD-UHFFFAOYSA-N -1 3 356.342 2.881 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC1CC1 ZINC000398501938 558626908 /nfs/dbraw/zinc/62/69/08/558626908.db2.gz ZYGCYOGEWSTHGI-SNVBAGLBSA-N -1 3 356.400 2.238 20 5 FEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000525640912 562251347 /nfs/dbraw/zinc/25/13/47/562251347.db2.gz JKBJIBUGSVSTKZ-GFCCVEGCSA-N -1 3 358.416 2.017 20 5 FEBDHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416462276 559314837 /nfs/dbraw/zinc/31/48/37/559314837.db2.gz PFXOBWYEBDRQMX-VIFPVBQESA-N -1 3 356.322 2.053 20 5 FEBDHM C[C@@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC=CCC1 ZINC000416551379 559321260 /nfs/dbraw/zinc/32/12/60/559321260.db2.gz BLIJTGPSOKYEQF-OAHLLOKOSA-N -1 3 354.384 2.143 20 5 FEBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 ZINC000416555353 559321482 /nfs/dbraw/zinc/32/14/82/559321482.db2.gz XCXAOTOTHYJRGP-CYBMUJFWSA-N -1 3 362.407 2.358 20 5 FEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000416570337 559322544 /nfs/dbraw/zinc/32/25/44/559322544.db2.gz ZVDAHGVFGSPDAG-OLZOCXBDSA-N -1 3 360.819 2.484 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)cc1C ZINC000416633135 559326415 /nfs/dbraw/zinc/32/64/15/559326415.db2.gz OKPLAQLJUXSBCG-UHFFFAOYSA-N -1 3 368.440 2.419 20 5 FEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427136199 559748723 /nfs/dbraw/zinc/74/87/23/559748723.db2.gz MBSLCFFUWXAOCY-UHFFFAOYSA-N -1 3 358.232 2.376 20 5 FEBDHM Cn1nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC(F)F ZINC000428124275 559770024 /nfs/dbraw/zinc/77/00/24/559770024.db2.gz ZNVHLHCRBJIIAA-UHFFFAOYSA-N -1 3 352.257 2.058 20 5 FEBDHM COc1cc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)cc([N+](=O)[O-])c1OC ZINC000433082908 559871388 /nfs/dbraw/zinc/87/13/88/559871388.db2.gz LXJZAOUNMWYKGE-UHFFFAOYSA-N -1 3 370.325 2.044 20 5 FEBDHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000436949335 559957364 /nfs/dbraw/zinc/95/73/64/559957364.db2.gz WXAXEUNJVMWPON-UHFFFAOYSA-N -1 3 369.377 2.335 20 5 FEBDHM COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000436965115 559957639 /nfs/dbraw/zinc/95/76/39/559957639.db2.gz IDZLVXMMPFRFGN-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM Cc1nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n(-c2ccccc2)n1 ZINC000440139787 560005622 /nfs/dbraw/zinc/00/56/22/560005622.db2.gz XIZDBFWQAPKLAE-UHFFFAOYSA-N -1 3 363.337 2.034 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c1C ZINC000443272479 560077220 /nfs/dbraw/zinc/07/72/20/560077220.db2.gz ZVMHDTGSQBYLDB-AWEZNQCLSA-N -1 3 368.386 2.363 20 5 FEBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000443749817 560091682 /nfs/dbraw/zinc/09/16/82/560091682.db2.gz BIEIFNJASMOEIU-JTQLQIEISA-N -1 3 371.440 2.378 20 5 FEBDHM Cc1ncc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c(=O)[n-]1 ZINC000445160081 560130061 /nfs/dbraw/zinc/13/00/61/560130061.db2.gz PATPPUZYNWUUMW-UHFFFAOYSA-N -1 3 360.373 2.415 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cccc2)c(Br)c1 ZINC000447018995 560155333 /nfs/dbraw/zinc/15/53/33/560155333.db2.gz VRRNQWAVKQXPFW-UHFFFAOYSA-N -1 3 374.216 2.137 20 5 FEBDHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451589162 560316260 /nfs/dbraw/zinc/31/62/60/560316260.db2.gz UERRPEMTUYVNFA-LBPRGKRZSA-N -1 3 352.416 2.487 20 5 FEBDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000451819685 560330644 /nfs/dbraw/zinc/33/06/44/560330644.db2.gz BIVDWJLBNRXPBY-RISCZKNCSA-N -1 3 360.407 2.463 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451868221 560333515 /nfs/dbraw/zinc/33/35/15/560333515.db2.gz ZQFWCEVVRXRUQZ-CZUORRHYSA-N -1 3 374.459 2.171 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)c1C ZINC000451932672 560338692 /nfs/dbraw/zinc/33/86/92/560338692.db2.gz ASYKHYGPUQSOQA-ZYHUDNBSSA-N -1 3 350.400 2.392 20 5 FEBDHM CN(C)c1nc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc(=O)[n-]1 ZINC000452833759 560375687 /nfs/dbraw/zinc/37/56/87/560375687.db2.gz BGGBVYLSGKJCHE-CYBMUJFWSA-N -1 3 371.397 2.176 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463864095 560827157 /nfs/dbraw/zinc/82/71/57/560827157.db2.gz GOQYQUJQOCIPJW-HUUCEWRRSA-N -1 3 372.443 2.474 20 5 FEBDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC2 ZINC000467044705 560902401 /nfs/dbraw/zinc/90/24/01/560902401.db2.gz JRDFDNTYGSRYSO-NSHDSACASA-N -1 3 370.456 2.326 20 5 FEBDHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616743 560985931 /nfs/dbraw/zinc/98/59/31/560985931.db2.gz DYXGSTZQQZLVDD-FRRDWIJNSA-N -1 3 373.450 2.379 20 5 FEBDHM Cc1ccc(NCCCNC(=O)NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000471922661 561014309 /nfs/dbraw/zinc/01/43/09/561014309.db2.gz GTIZZHXJJKIXJH-UHFFFAOYSA-N -1 3 359.386 2.305 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c1C ZINC000472695550 561033219 /nfs/dbraw/zinc/03/32/19/561033219.db2.gz BWIPRYJVOBITRF-LBPRGKRZSA-N -1 3 356.425 2.285 20 5 FEBDHM C[C@@H](CC(C)(C)C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000477036693 561134772 /nfs/dbraw/zinc/13/47/72/561134772.db2.gz UMAKLODPRLEVLW-LBPRGKRZSA-N -1 3 371.459 2.062 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000533468682 562509948 /nfs/dbraw/zinc/50/99/48/562509948.db2.gz VZDCNHGEAUCANU-UHFFFAOYSA-N -1 3 357.413 2.055 20 5 FEBDHM Cc1ccc([O-])c(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000541533984 562614607 /nfs/dbraw/zinc/61/46/07/562614607.db2.gz NXNAXLCGQRXALE-UHFFFAOYSA-N -1 3 364.745 2.026 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c1 ZINC000738369608 598914810 /nfs/dbraw/zinc/91/48/10/598914810.db2.gz KGBIGJUIBKKITO-UHFFFAOYSA-N -1 3 352.354 2.364 20 5 FEBDHM O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c1 ZINC000738369608 598914811 /nfs/dbraw/zinc/91/48/11/598914811.db2.gz KGBIGJUIBKKITO-UHFFFAOYSA-N -1 3 352.354 2.364 20 5 FEBDHM Cc1ccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822259262 599068872 /nfs/dbraw/zinc/06/88/72/599068872.db2.gz RISSHRQTSGIVJZ-NSHDSACASA-N -1 3 355.358 2.358 20 5 FEBDHM Cc1ccc(O[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822259262 599068874 /nfs/dbraw/zinc/06/88/74/599068874.db2.gz RISSHRQTSGIVJZ-NSHDSACASA-N -1 3 355.358 2.358 20 5 FEBDHM COCCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736987927 599115674 /nfs/dbraw/zinc/11/56/74/599115674.db2.gz HEGZKTHQUGNXAX-UHFFFAOYSA-N -1 3 368.353 2.068 20 5 FEBDHM COCCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736987927 599115675 /nfs/dbraw/zinc/11/56/75/599115675.db2.gz HEGZKTHQUGNXAX-UHFFFAOYSA-N -1 3 368.353 2.068 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737369468 599183723 /nfs/dbraw/zinc/18/37/23/599183723.db2.gz URQMFZUAWQMHIV-UHFFFAOYSA-N -1 3 352.354 2.356 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737369468 599183726 /nfs/dbraw/zinc/18/37/26/599183726.db2.gz URQMFZUAWQMHIV-UHFFFAOYSA-N -1 3 352.354 2.356 20 5 FEBDHM Cc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000822254455 607263159 /nfs/dbraw/zinc/26/31/59/607263159.db2.gz KGNWNBXUJXYZOD-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000822254455 607263160 /nfs/dbraw/zinc/26/31/60/607263160.db2.gz KGNWNBXUJXYZOD-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM COc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821786283 607269374 /nfs/dbraw/zinc/26/93/74/607269374.db2.gz CPPLDUDNGCTTLK-UHFFFAOYSA-N -1 3 368.353 2.273 20 5 FEBDHM COc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821786283 607269375 /nfs/dbraw/zinc/26/93/75/607269375.db2.gz CPPLDUDNGCTTLK-UHFFFAOYSA-N -1 3 368.353 2.273 20 5 FEBDHM COc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737040689 598289545 /nfs/dbraw/zinc/28/95/45/598289545.db2.gz KGCWVTKSTLHLPE-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM COc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000737040689 598289546 /nfs/dbraw/zinc/28/95/46/598289546.db2.gz KGCWVTKSTLHLPE-UHFFFAOYSA-N -1 3 355.310 2.141 20 5 FEBDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1 ZINC000737236461 598299019 /nfs/dbraw/zinc/29/90/19/598299019.db2.gz LLSWKDWBLWSLNN-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1 ZINC000737236461 598299021 /nfs/dbraw/zinc/29/90/21/598299021.db2.gz LLSWKDWBLWSLNN-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2cc(-c3ccccc3)on2)c(-c2nnn[n-]2)c1 ZINC000738374480 598501032 /nfs/dbraw/zinc/50/10/32/598501032.db2.gz PCFPBBGPPUPZJC-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2cc(-c3ccccc3)on2)c(-c2nn[n-]n2)c1 ZINC000738374480 598501034 /nfs/dbraw/zinc/50/10/34/598501034.db2.gz PCFPBBGPPUPZJC-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120312 598578369 /nfs/dbraw/zinc/57/83/69/598578369.db2.gz XFLGPPPYULDEIK-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120312 598578370 /nfs/dbraw/zinc/57/83/70/598578370.db2.gz XFLGPPPYULDEIK-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM CC(C)(C)OC(=O)NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735636078 598755152 /nfs/dbraw/zinc/75/51/52/598755152.db2.gz OHIDDBPTZWOXGE-UHFFFAOYSA-N -1 3 363.378 2.102 20 5 FEBDHM CC(C)(C)OC(=O)NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735636078 598755153 /nfs/dbraw/zinc/75/51/53/598755153.db2.gz OHIDDBPTZWOXGE-UHFFFAOYSA-N -1 3 363.378 2.102 20 5 FEBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC(C)(C)O1 ZINC000820769112 599495600 /nfs/dbraw/zinc/49/56/00/599495600.db2.gz RGIAEAQRQSMRQH-JTQLQIEISA-N -1 3 369.385 2.327 20 5 FEBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC(C)(C)O1 ZINC000820769112 599495603 /nfs/dbraw/zinc/49/56/03/599495603.db2.gz RGIAEAQRQSMRQH-JTQLQIEISA-N -1 3 369.385 2.327 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[C@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645968 599575002 /nfs/dbraw/zinc/57/50/02/599575002.db2.gz YJCOSJGZPZRSJE-PWSUYJOCSA-N -1 3 369.385 2.286 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[C@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645968 599575005 /nfs/dbraw/zinc/57/50/05/599575005.db2.gz YJCOSJGZPZRSJE-PWSUYJOCSA-N -1 3 369.385 2.286 20 5 FEBDHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000739519318 600564795 /nfs/dbraw/zinc/56/47/95/600564795.db2.gz YJPWFGGEMMFNIS-CZUORRHYSA-N -1 3 360.345 2.441 20 5 FEBDHM O=C([O-])N1CCN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000740526273 602649687 /nfs/dbraw/zinc/64/96/87/602649687.db2.gz DARDWRDJLIQTPM-UHFFFAOYSA-N -1 3 374.397 2.240 20 5 FEBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809834816 674514750 /nfs/dbraw/zinc/51/47/50/674514750.db2.gz GKPLSHXIHDZXQR-UHFFFAOYSA-N -1 3 353.803 2.006 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826499007 607739392 /nfs/dbraw/zinc/73/93/92/607739392.db2.gz RMXYABVONZZQLY-KRWDZBQOSA-N -1 3 352.354 2.021 20 5 FEBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826499007 607739393 /nfs/dbraw/zinc/73/93/93/607739393.db2.gz RMXYABVONZZQLY-KRWDZBQOSA-N -1 3 352.354 2.021 20 5 FEBDHM O=C([O-])NC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000834208399 605665063 /nfs/dbraw/zinc/66/50/63/605665063.db2.gz UWXKTBHOASXSLB-AWEZNQCLSA-N -1 3 364.402 2.339 20 5 FEBDHM CN1CCOc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc21 ZINC000821630226 606140479 /nfs/dbraw/zinc/14/04/79/606140479.db2.gz QKFUCDSOPQPGCW-UHFFFAOYSA-N -1 3 353.342 2.347 20 5 FEBDHM CN1CCOc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc21 ZINC000821630226 606140481 /nfs/dbraw/zinc/14/04/81/606140481.db2.gz QKFUCDSOPQPGCW-UHFFFAOYSA-N -1 3 353.342 2.347 20 5 FEBDHM CN1CCOc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc21 ZINC000821630466 606140533 /nfs/dbraw/zinc/14/05/33/606140533.db2.gz YVFVTNOKASUGBN-UHFFFAOYSA-N -1 3 353.342 2.347 20 5 FEBDHM CN1CCOc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc21 ZINC000821630466 606140534 /nfs/dbraw/zinc/14/05/34/606140534.db2.gz YVFVTNOKASUGBN-UHFFFAOYSA-N -1 3 353.342 2.347 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823223544 606353216 /nfs/dbraw/zinc/35/32/16/606353216.db2.gz CKWLOQSCCQLBBU-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823223544 606353217 /nfs/dbraw/zinc/35/32/17/606353217.db2.gz CKWLOQSCCQLBBU-UHFFFAOYSA-N -1 3 371.332 2.278 20 5 FEBDHM CN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821612272 606644966 /nfs/dbraw/zinc/64/49/66/606644966.db2.gz PCWVVTOCFMSOKK-UHFFFAOYSA-N -1 3 354.326 2.140 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3F)c2)c(-c2nnn[n-]2)c1 ZINC000823650889 606733943 /nfs/dbraw/zinc/73/39/43/606733943.db2.gz CRSQQESSGSNPBL-UHFFFAOYSA-N -1 3 367.304 2.238 20 5 FEBDHM O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3F)c2)c(-c2nn[n-]n2)c1 ZINC000823650889 606733944 /nfs/dbraw/zinc/73/39/44/606733944.db2.gz CRSQQESSGSNPBL-UHFFFAOYSA-N -1 3 367.304 2.238 20 5 FEBDHM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081562 606800950 /nfs/dbraw/zinc/80/09/50/606800950.db2.gz LHOQUKYIZANOEA-UHFFFAOYSA-N -1 3 367.369 2.473 20 5 FEBDHM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081562 606800953 /nfs/dbraw/zinc/80/09/53/606800953.db2.gz LHOQUKYIZANOEA-UHFFFAOYSA-N -1 3 367.369 2.473 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821845886 607080808 /nfs/dbraw/zinc/08/08/08/607080808.db2.gz KYUXIUUXNAZNDN-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821845886 607080810 /nfs/dbraw/zinc/08/08/10/607080810.db2.gz KYUXIUUXNAZNDN-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826471496 607833792 /nfs/dbraw/zinc/83/37/92/607833792.db2.gz BNGUIBSXOLIDEV-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826471496 607833793 /nfs/dbraw/zinc/83/37/93/607833793.db2.gz BNGUIBSXOLIDEV-UHFFFAOYSA-N -1 3 350.338 2.368 20 5 FEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000824669948 607850005 /nfs/dbraw/zinc/85/00/05/607850005.db2.gz IYCKVPCKBUPWJX-ZANVPECISA-N -1 3 353.342 2.147 20 5 FEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824669948 607850006 /nfs/dbraw/zinc/85/00/06/607850006.db2.gz IYCKVPCKBUPWJX-ZANVPECISA-N -1 3 353.342 2.147 20 5 FEBDHM Cc1cc(F)ccc1[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826268582 607876424 /nfs/dbraw/zinc/87/64/24/607876424.db2.gz CUTYLVFZSPWCML-CQSZACIVSA-N -1 3 359.317 2.335 20 5 FEBDHM Cc1cc(F)ccc1[C@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826268582 607876425 /nfs/dbraw/zinc/87/64/25/607876425.db2.gz CUTYLVFZSPWCML-CQSZACIVSA-N -1 3 359.317 2.335 20 5 FEBDHM CCO[C@@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825576074 608161446 /nfs/dbraw/zinc/16/14/46/608161446.db2.gz BUFLOMRJLJYTHU-JTQLQIEISA-N -1 3 354.754 2.182 20 5 FEBDHM CCO[C@@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825576074 608161447 /nfs/dbraw/zinc/16/14/47/608161447.db2.gz BUFLOMRJLJYTHU-JTQLQIEISA-N -1 3 354.754 2.182 20 5 FEBDHM Cc1cncc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826319298 608161495 /nfs/dbraw/zinc/16/14/95/608161495.db2.gz XBXUHDTVOYJTGE-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1cncc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826319298 608161496 /nfs/dbraw/zinc/16/14/96/608161496.db2.gz XBXUHDTVOYJTGE-UHFFFAOYSA-N -1 3 359.733 2.384 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1sccc1-c1nnn[n-]1)CC2 ZINC000826272766 608336874 /nfs/dbraw/zinc/33/68/74/608336874.db2.gz ACVAVEXXYWYOTI-UHFFFAOYSA-N -1 3 356.367 2.348 20 5 FEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1sccc1-c1nn[n-]n1)CC2 ZINC000826272766 608336875 /nfs/dbraw/zinc/33/68/75/608336875.db2.gz ACVAVEXXYWYOTI-UHFFFAOYSA-N -1 3 356.367 2.348 20 5 FEBDHM C[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824563844 608563517 /nfs/dbraw/zinc/56/35/17/608563517.db2.gz QQVZSPBVFFGJKC-VIFPVBQESA-N -1 3 373.398 2.126 20 5 FEBDHM C[C@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824563844 608563519 /nfs/dbraw/zinc/56/35/19/608563519.db2.gz QQVZSPBVFFGJKC-VIFPVBQESA-N -1 3 373.398 2.126 20 5 FEBDHM Cc1noc(C2(C)CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000826339872 609315918 /nfs/dbraw/zinc/31/59/18/609315918.db2.gz XXGMFJRGAGOSQP-UHFFFAOYSA-N -1 3 370.373 2.024 20 5 FEBDHM Cc1noc(C2(C)CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000826339872 609315919 /nfs/dbraw/zinc/31/59/19/609315919.db2.gz XXGMFJRGAGOSQP-UHFFFAOYSA-N -1 3 370.373 2.024 20 5 FEBDHM COCC[C@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826154490 609590057 /nfs/dbraw/zinc/59/00/57/609590057.db2.gz QJRANHQRTROXGP-GFCCVEGCSA-N -1 3 358.358 2.428 20 5 FEBDHM COCC[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826154490 609590058 /nfs/dbraw/zinc/59/00/58/609590058.db2.gz QJRANHQRTROXGP-GFCCVEGCSA-N -1 3 358.358 2.428 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815008464 674895159 /nfs/dbraw/zinc/89/51/59/674895159.db2.gz XFRFCUZOXUHZAY-UHFFFAOYSA-N -1 3 365.814 2.150 20 5 FEBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000125517620 672012820 /nfs/dbraw/zinc/01/28/20/672012820.db2.gz XVAIVUOQWOUMBI-UHFFFAOYSA-N -1 3 362.289 2.314 20 5 FEBDHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000584467379 672190901 /nfs/dbraw/zinc/19/09/01/672190901.db2.gz JWGKCVFGRIEAPN-DOMZBBRYSA-N -1 3 372.443 2.035 20 5 FEBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000157987462 672264776 /nfs/dbraw/zinc/26/47/76/672264776.db2.gz LABNFUHJDPBZHX-ZETCQYMHSA-N -1 3 369.262 2.387 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1F ZINC000159117472 672277778 /nfs/dbraw/zinc/27/77/78/672277778.db2.gz YYPOMWCDDUAETC-ZDUSSCGKSA-N -1 3 374.777 2.399 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc([N+](=O)[O-])c1F ZINC000179188598 672399530 /nfs/dbraw/zinc/39/95/30/672399530.db2.gz XCKDWIDDUCEJKY-UHFFFAOYSA-N -1 3 371.321 2.081 20 5 FEBDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593535036 672936163 /nfs/dbraw/zinc/93/61/63/672936163.db2.gz SUCXRPUNIDDFDX-GFCCVEGCSA-N -1 3 351.384 2.044 20 5 FEBDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)s1 ZINC000593553448 672941404 /nfs/dbraw/zinc/94/14/04/672941404.db2.gz RRNMQICZHRTQKT-GFCCVEGCSA-N -1 3 354.413 2.184 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)nc1 ZINC000593573730 672947794 /nfs/dbraw/zinc/94/77/94/672947794.db2.gz SOALRMBNUSSUMA-ZDUSSCGKSA-N -1 3 367.358 2.321 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1OCCc2sccc21 ZINC000593598938 672954767 /nfs/dbraw/zinc/95/47/67/672954767.db2.gz YOZIOANUGSGLIO-XPTSAGLGSA-N -1 3 369.424 2.032 20 5 FEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000594776214 673138711 /nfs/dbraw/zinc/13/87/11/673138711.db2.gz VVERIQIGMGUCAQ-UHFFFAOYSA-N -1 3 357.338 2.467 20 5 FEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CO1 ZINC000594790796 673143234 /nfs/dbraw/zinc/14/32/34/673143234.db2.gz WZGQVXNDAOPYJK-VIFPVBQESA-N -1 3 368.333 2.459 20 5 FEBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540452299 673540067 /nfs/dbraw/zinc/54/00/67/673540067.db2.gz WQXMTZCTXOHOCR-LBPRGKRZSA-N -1 3 364.427 2.337 20 5 FEBDHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000820792089 675388843 /nfs/dbraw/zinc/38/88/43/675388843.db2.gz MKUYZRVFMQLBSE-OAHLLOKOSA-N -1 3 368.386 2.363 20 5 FEBDHM COC(=O)c1ccc(C(=O)OC)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000603465289 675799466 /nfs/dbraw/zinc/79/94/66/675799466.db2.gz APJQEQMXVIISKI-UHFFFAOYSA-N -1 3 364.335 2.482 20 5 FEBDHM CCOC(=O)c1n[n-]c(C2CCN(c3sccc3[N+](=O)[O-])CC2)n1 ZINC000618175521 676322916 /nfs/dbraw/zinc/32/29/16/676322916.db2.gz FZCMNMCEFZJTPO-UHFFFAOYSA-N -1 3 351.388 2.335 20 5 FEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000619751725 676393379 /nfs/dbraw/zinc/39/33/79/676393379.db2.gz QOERFPQBBODAAN-UHFFFAOYSA-N -1 3 356.322 2.470 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000761104426 680711123 /nfs/dbraw/zinc/71/11/23/680711123.db2.gz SUCAVXLQKDBGCV-VIFPVBQESA-N -1 3 368.367 2.322 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000766827762 680889326 /nfs/dbraw/zinc/88/93/26/680889326.db2.gz PTMFFKYUDLAJDR-CQSZACIVSA-N -1 3 372.443 2.035 20 5 FEBDHM CCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000841554446 680896928 /nfs/dbraw/zinc/89/69/28/680896928.db2.gz NVQCMFNSOWVCDW-UHFFFAOYSA-N -1 3 358.807 2.252 20 5 FEBDHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000770512403 681018451 /nfs/dbraw/zinc/01/84/51/681018451.db2.gz LMWKLBGWNDBORS-GXFFZTMASA-N -1 3 358.416 2.163 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000778422699 681610980 /nfs/dbraw/zinc/61/09/80/681610980.db2.gz FJAMUXINYTWFJC-UHFFFAOYSA-N -1 3 354.269 2.225 20 5 FEBDHM CCOC(=O)c1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000778422699 681610981 /nfs/dbraw/zinc/61/09/81/681610981.db2.gz FJAMUXINYTWFJC-UHFFFAOYSA-N -1 3 354.269 2.225 20 5 FEBDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853994891 682500706 /nfs/dbraw/zinc/50/07/06/682500706.db2.gz JDLGEAVATWWJRE-PHIMTYICSA-N -1 3 350.375 2.284 20 5 FEBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c[nH]1 ZINC000788216618 682511859 /nfs/dbraw/zinc/51/18/59/682511859.db2.gz LOWIDVVYIIRHIA-UHFFFAOYSA-N -1 3 359.747 2.164 20 5 FEBDHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000872654346 684996798 /nfs/dbraw/zinc/99/67/98/684996798.db2.gz SBWAPGGCXPJYEJ-AWAWDMARSA-N -1 3 360.819 2.484 20 5 FEBDHM CC(C)CN1C[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1=O ZINC000522122919 539543772 /nfs/dbraw/zinc/54/37/72/539543772.db2.gz SJXBNCWRZMMXGH-CYBMUJFWSA-N -1 3 371.397 2.428 20 5 FEBDHM CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000029167199 539845629 /nfs/dbraw/zinc/84/56/29/539845629.db2.gz RGJDWPHWHSKVOA-INIZCTEOSA-N -1 3 358.398 2.096 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccccc1C ZINC000030495949 539882861 /nfs/dbraw/zinc/88/28/61/539882861.db2.gz UNWNMKJOAQQMCT-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM Cc1ccc(F)c(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000032434401 539938973 /nfs/dbraw/zinc/93/89/73/539938973.db2.gz HZDDOSBTOQMBEU-UHFFFAOYSA-N -1 3 353.375 2.433 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c(Cl)c1 ZINC000047543714 540317536 /nfs/dbraw/zinc/31/75/36/540317536.db2.gz ARLIOYZSSKWQOH-UHFFFAOYSA-N -1 3 359.835 2.153 20 5 FEBDHM Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([O-])c1C ZINC000052615586 540478179 /nfs/dbraw/zinc/47/81/79/540478179.db2.gz ZXCPIVNNNYBTEM-UHFFFAOYSA-N -1 3 356.382 2.275 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000055948947 540689401 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355.460 2.364 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000192724982 328335296 /nfs/dbraw/zinc/33/52/96/328335296.db2.gz UINRMGABFJXMJO-UHFFFAOYSA-N -1 3 369.424 2.190 20 5 FEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)cc1 ZINC000193705402 328390530 /nfs/dbraw/zinc/39/05/30/328390530.db2.gz OGGJXRXOWZHTRK-UHFFFAOYSA-N -1 3 374.378 2.264 20 5 FEBDHM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194035427 328407940 /nfs/dbraw/zinc/40/79/40/328407940.db2.gz HYHPVTNCODZADD-UHFFFAOYSA-N -1 3 354.326 2.258 20 5 FEBDHM COCCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc21 ZINC000092773431 325425173 /nfs/dbraw/zinc/42/51/73/325425173.db2.gz TZKWQKFIMOQANO-UHFFFAOYSA-N -1 3 356.338 2.137 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000121401200 326336031 /nfs/dbraw/zinc/33/60/31/326336031.db2.gz BGUAMYRPSZYGQF-CQSZACIVSA-N -1 3 350.396 2.387 20 5 FEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@@H]1O ZINC000124825900 326460794 /nfs/dbraw/zinc/46/07/94/326460794.db2.gz MQVVXXPOVADEMB-KBPBESRZSA-N -1 3 362.835 2.468 20 5 FEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCN1CCCCCC1 ZINC000131261941 326571322 /nfs/dbraw/zinc/57/13/22/326571322.db2.gz QHLDMSNMYTYUMB-UHFFFAOYSA-N -1 3 361.851 2.403 20 5 FEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC000163387876 327050163 /nfs/dbraw/zinc/05/01/63/327050163.db2.gz KGSCAYSHWLDYEW-IUCAKERBSA-N -1 3 368.333 2.317 20 5 FEBDHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000167692871 327085895 /nfs/dbraw/zinc/08/58/95/327085895.db2.gz IJGMFCCZBVGYLQ-UHFFFAOYSA-N -1 3 355.803 2.473 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000175628677 327403290 /nfs/dbraw/zinc/40/32/90/327403290.db2.gz MLYVNTFDWFRGCK-SECBINFHSA-N -1 3 357.413 2.408 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000175856869 327418188 /nfs/dbraw/zinc/41/81/88/327418188.db2.gz VGUVZMDARWBBAB-UHFFFAOYSA-N -1 3 357.366 2.159 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265512661 329134855 /nfs/dbraw/zinc/13/48/55/329134855.db2.gz KPFWBJBGBWQCFU-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000269802297 329550392 /nfs/dbraw/zinc/55/03/92/329550392.db2.gz SPOHWXOMSSXSTI-INIZCTEOSA-N -1 3 368.411 2.132 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000271711546 329717770 /nfs/dbraw/zinc/71/77/70/329717770.db2.gz RPHXFZHISQIWIA-BXUZGUMPSA-N -1 3 358.416 2.085 20 5 FEBDHM C[C@@H](CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000273147043 329840624 /nfs/dbraw/zinc/84/06/24/329840624.db2.gz YGXORKLSPQYKAG-NSHDSACASA-N -1 3 353.375 2.098 20 5 FEBDHM CC(C)(O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000274771670 329978758 /nfs/dbraw/zinc/97/87/58/329978758.db2.gz WKRIFWHQXHSZBS-UHFFFAOYSA-N -1 3 356.322 2.053 20 5 FEBDHM COc1cccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000276108928 330120233 /nfs/dbraw/zinc/12/02/33/330120233.db2.gz VHWPKYJNSJQIKC-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM CC(=O)c1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000060355992 534850405 /nfs/dbraw/zinc/85/04/05/534850405.db2.gz ZPJJMKNHSILOAZ-UHFFFAOYSA-N -1 3 369.377 2.465 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3nnc(C(F)(F)F)[n-]3)cc2N1 ZINC000480310296 561206961 /nfs/dbraw/zinc/20/69/61/561206961.db2.gz VOKUDNOTTSREEY-UHFFFAOYSA-N -1 3 356.264 2.229 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3n[n-]c(C(F)(F)F)n3)cc2N1 ZINC000480310296 561206962 /nfs/dbraw/zinc/20/69/62/561206962.db2.gz VOKUDNOTTSREEY-UHFFFAOYSA-N -1 3 356.264 2.229 20 5 FEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3nc(C(F)(F)F)n[n-]3)cc2N1 ZINC000480310296 561206963 /nfs/dbraw/zinc/20/69/63/561206963.db2.gz VOKUDNOTTSREEY-UHFFFAOYSA-N -1 3 356.264 2.229 20 5 FEBDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480709686 561214964 /nfs/dbraw/zinc/21/49/64/561214964.db2.gz NCSMZEGHHKVEGV-LBPRGKRZSA-N -1 3 358.416 2.222 20 5 FEBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@H](C)CC ZINC000481067897 561224354 /nfs/dbraw/zinc/22/43/54/561224354.db2.gz GULZPYDFRHMCDZ-ZWNOBZJWSA-N -1 3 372.443 2.468 20 5 FEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1 ZINC000178626742 546823535 /nfs/dbraw/zinc/82/35/35/546823535.db2.gz LOYSFRVVISNNNO-UHFFFAOYSA-N -1 3 374.777 2.358 20 5 FEBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178777318 546848432 /nfs/dbraw/zinc/84/84/32/546848432.db2.gz PEZGNZTZNYLOAA-SNVBAGLBSA-N -1 3 350.824 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c(Cl)c1 ZINC000184276491 547799420 /nfs/dbraw/zinc/79/94/20/547799420.db2.gz UWGVDINPYLLLHQ-NSHDSACASA-N -1 3 360.775 2.243 20 5 FEBDHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184397892 547819496 /nfs/dbraw/zinc/81/94/96/547819496.db2.gz GHDLWZBOQLRCDK-OAHLLOKOSA-N -1 3 350.396 2.402 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1ncc(C)s1 ZINC000186725858 548181072 /nfs/dbraw/zinc/18/10/72/548181072.db2.gz GEHSXMMWTGYYLD-VIFPVBQESA-N -1 3 371.440 2.450 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000186775817 548190364 /nfs/dbraw/zinc/19/03/64/548190364.db2.gz USGQHIJPGCNTHH-CYBMUJFWSA-N -1 3 371.459 2.146 20 5 FEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc3c(s2)CN(C)CC3)c1[N+](=O)[O-] ZINC000269379829 550188221 /nfs/dbraw/zinc/18/82/21/550188221.db2.gz OOIFIWFVISFEFG-UHFFFAOYSA-N -1 3 350.404 2.138 20 5 FEBDHM COc1c(S(=O)(=O)[N-]C(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493636578 561457420 /nfs/dbraw/zinc/45/74/20/561457420.db2.gz RYHMAOBUSJLHTR-UHFFFAOYSA-N -1 3 367.221 2.361 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000493903954 561459219 /nfs/dbraw/zinc/45/92/19/561459219.db2.gz BRAJVWDPEVGDMO-LURJTMIESA-N -1 3 360.285 2.362 20 5 FEBDHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000278725519 550815198 /nfs/dbraw/zinc/81/51/98/550815198.db2.gz LLZPHGSGXIGEGG-MRVPVSSYSA-N -1 3 356.322 2.053 20 5 FEBDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n[nH]1 ZINC000285272462 551730090 /nfs/dbraw/zinc/73/00/90/551730090.db2.gz DUSXLHZVBNPHJL-ZETCQYMHSA-N -1 3 359.795 2.023 20 5 FEBDHM COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000286076381 551845752 /nfs/dbraw/zinc/84/57/52/551845752.db2.gz MNMLJMIVXOJJAI-HNNXBMFYSA-N -1 3 359.382 2.342 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000499282648 561547671 /nfs/dbraw/zinc/54/76/71/561547671.db2.gz KEVILUFFNBGXGZ-UHFFFAOYSA-N -1 3 373.394 2.160 20 5 FEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288245359 552118199 /nfs/dbraw/zinc/11/81/99/552118199.db2.gz BAASOCCPORSHDZ-UHFFFAOYSA-N -1 3 365.411 2.124 20 5 FEBDHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000288249899 552119124 /nfs/dbraw/zinc/11/91/24/552119124.db2.gz OYEGQZVFCVRZJJ-UHFFFAOYSA-N -1 3 367.387 2.176 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288642272 552190993 /nfs/dbraw/zinc/19/09/93/552190993.db2.gz PJCOZNFYTGVUGE-UHFFFAOYSA-N -1 3 351.384 2.249 20 5 FEBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000500106412 561566046 /nfs/dbraw/zinc/56/60/46/561566046.db2.gz PGFKQORRBKMFQG-GRYCIOLGSA-N -1 3 370.427 2.469 20 5 FEBDHM COCc1nc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000290185107 552439762 /nfs/dbraw/zinc/43/97/62/552439762.db2.gz RJPPQHZKQDVRRX-UHFFFAOYSA-N -1 3 371.440 2.293 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000292235212 552707224 /nfs/dbraw/zinc/70/72/24/552707224.db2.gz IQRWOSSQUFCRLH-UHFFFAOYSA-N -1 3 354.306 2.066 20 5 FEBDHM COC(=O)c1sc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)nc1C(C)(C)C ZINC000501515401 561599427 /nfs/dbraw/zinc/59/94/27/561599427.db2.gz 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/nfs/dbraw/zinc/47/09/09/557470909.db2.gz OROVQNRSMXFYNA-BBRMVZONSA-N -1 3 356.382 2.118 20 5 FEBDHM COc1cc(C(=O)[N-]c2ncn(-c3cccnc3)n2)cc([N+](=O)[O-])c1C ZINC000372845707 557574343 /nfs/dbraw/zinc/57/43/43/557574343.db2.gz HGEIEKBNZVZMDV-UHFFFAOYSA-N -1 3 354.326 2.140 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000373087902 557625648 /nfs/dbraw/zinc/62/56/48/557625648.db2.gz NGHQWBDWRDUQTD-UHFFFAOYSA-N -1 3 359.367 2.489 20 5 FEBDHM Cc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1-c1ccncc1 ZINC000373427187 557691652 /nfs/dbraw/zinc/69/16/52/557691652.db2.gz PPSLFPJNFOCWLK-UHFFFAOYSA-N -1 3 368.309 2.849 20 5 FEBDHM O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000374449577 557885603 /nfs/dbraw/zinc/88/56/03/557885603.db2.gz FHSSWCRRTXAVCC-UHFFFAOYSA-N -1 3 369.377 2.335 20 5 FEBDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000522059031 562190531 /nfs/dbraw/zinc/19/05/31/562190531.db2.gz 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ZINC000426015904 559727728 /nfs/dbraw/zinc/72/77/28/559727728.db2.gz IKLRUEHDPSRPEI-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000427608682 559758732 /nfs/dbraw/zinc/75/87/32/559758732.db2.gz ZSRYDOAOPMHZRF-UHFFFAOYSA-N -1 3 356.381 2.321 20 5 FEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429643237 559803029 /nfs/dbraw/zinc/80/30/29/559803029.db2.gz BBQSFKYKYVSTAN-UHFFFAOYSA-N -1 3 355.301 2.594 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c([N+](=O)[O-])c1 ZINC000431300708 559837305 /nfs/dbraw/zinc/83/73/05/559837305.db2.gz HWCWPBQSZAMJOI-UHFFFAOYSA-N -1 3 364.379 2.112 20 5 FEBDHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000433738801 559887119 /nfs/dbraw/zinc/88/71/19/559887119.db2.gz UKHDDJGGIQKBGL-UHFFFAOYSA-N -1 3 358.416 2.222 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000434776075 559909101 /nfs/dbraw/zinc/90/91/01/559909101.db2.gz 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Cc1cc(OCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000437387058 559963997 /nfs/dbraw/zinc/96/39/97/559963997.db2.gz QGFDOIVQWNUVLP-UHFFFAOYSA-N -1 3 353.338 2.706 20 5 FEBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000443143580 560072381 /nfs/dbraw/zinc/07/23/81/560072381.db2.gz JCHGQUDQPXBXGA-UHFFFAOYSA-N -1 3 354.388 2.062 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c(Cl)c1 ZINC000443265127 560076778 /nfs/dbraw/zinc/07/67/78/560076778.db2.gz LYKLBAKMNWAKDT-CYBMUJFWSA-N -1 3 374.777 2.399 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c(F)c1 ZINC000443282652 560077760 /nfs/dbraw/zinc/07/77/60/560077760.db2.gz NRUUXZAXBLSTEJ-UHFFFAOYSA-N -1 3 354.359 2.351 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000443290119 560078246 /nfs/dbraw/zinc/07/82/46/560078246.db2.gz OEMSSTSNFXPSOU-AWEZNQCLSA-N -1 3 372.443 2.213 20 5 FEBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443324376 560079949 /nfs/dbraw/zinc/07/99/49/560079949.db2.gz XUAOEQKJPBGVNC-ONGXEEELSA-N -1 3 350.824 2.324 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000445755715 560134823 /nfs/dbraw/zinc/13/48/23/560134823.db2.gz IUVAXCQBXNTLFI-INIZCTEOSA-N -1 3 372.443 2.213 20 5 FEBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)OC ZINC000451680935 560321693 /nfs/dbraw/zinc/32/16/93/560321693.db2.gz MYALIOFMOAJFLH-NOZJJQNGSA-N -1 3 364.395 2.082 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000451798489 560329079 /nfs/dbraw/zinc/32/90/79/560329079.db2.gz CGRUWYGCXLIAQP-GFCCVEGCSA-N -1 3 370.427 2.231 20 5 FEBDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000451962972 560340899 /nfs/dbraw/zinc/34/08/99/560340899.db2.gz XVURMMQJQMOTJK-UHFFFAOYSA-N -1 3 355.372 2.022 20 5 FEBDHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457115075 560550180 /nfs/dbraw/zinc/55/01/80/560550180.db2.gz BHDVXHPILYNHGF-UHFFFAOYSA-N -1 3 362.773 2.311 20 5 FEBDHM CCc1ncc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000460934976 560756381 /nfs/dbraw/zinc/75/63/81/560756381.db2.gz CBJYHXFGLPTJFI-UHFFFAOYSA-N -1 3 356.429 2.004 20 5 FEBDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461853747 560785393 /nfs/dbraw/zinc/78/53/93/560785393.db2.gz OPLQMQRVXWEUGB-WDEREUQCSA-N -1 3 356.400 2.081 20 5 FEBDHM CO[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(O)cc1 ZINC000463452525 560815427 /nfs/dbraw/zinc/81/54/27/560815427.db2.gz BXXSAOLSBGGELM-QGZVFWFLSA-N -1 3 368.349 3.017 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C ZINC000466912035 560899028 /nfs/dbraw/zinc/89/90/28/560899028.db2.gz CGNZXYWWVSZOGN-UHFFFAOYSA-N -1 3 358.416 2.303 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000467054890 560902518 /nfs/dbraw/zinc/90/25/18/560902518.db2.gz YBRFSLAXUOAHRT-UHFFFAOYSA-N -1 3 366.424 2.362 20 5 FEBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000467261855 560907465 /nfs/dbraw/zinc/90/74/65/560907465.db2.gz YZGPPJSXLTUARA-UHFFFAOYSA-N -1 3 372.424 2.460 20 5 FEBDHM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccc([O-])c(F)c1 ZINC000467516664 560911777 /nfs/dbraw/zinc/91/17/77/560911777.db2.gz NUQGQVNGIPKSBC-UHFFFAOYSA-N -1 3 362.313 2.070 20 5 FEBDHM C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CN1Cc1ccccc1 ZINC000467692584 560915086 /nfs/dbraw/zinc/91/50/86/560915086.db2.gz UFVKASSTOJLVEU-JSGCOSHPSA-N -1 3 356.382 2.088 20 5 FEBDHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000469302951 560952025 /nfs/dbraw/zinc/95/20/25/560952025.db2.gz QJZQHRCYFLPEJY-NSHDSACASA-N -1 3 356.322 2.149 20 5 FEBDHM COc1cc(C(=O)NCc2ncccc2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000473635227 561054658 /nfs/dbraw/zinc/05/46/58/561054658.db2.gz HDZRNWGOARQOSJ-UHFFFAOYSA-N -1 3 369.280 2.235 20 5 FEBDHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476949296 561132711 /nfs/dbraw/zinc/13/27/11/561132711.db2.gz IDFZCZBVCDIYTJ-NWDGAFQWSA-N -1 3 370.427 2.471 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC000531912074 562461134 /nfs/dbraw/zinc/46/11/34/562461134.db2.gz ASRKCMACZOCZCQ-CYBMUJFWSA-N -1 3 364.379 2.324 20 5 FEBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000533174466 562500411 /nfs/dbraw/zinc/50/04/11/562500411.db2.gz KWWVNVGSGALGCP-UHFFFAOYSA-N -1 3 356.791 2.034 20 5 FEBDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535533615 562560694 /nfs/dbraw/zinc/56/06/94/562560694.db2.gz SCQSFYCXOJTKNT-VIFPVBQESA-N -1 3 364.807 2.258 20 5 FEBDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000541311142 562608634 /nfs/dbraw/zinc/60/86/34/562608634.db2.gz BWDHMMRCRNKPPM-ZDUSSCGKSA-N -1 3 368.411 2.422 20 5 FEBDHM COC(=O)c1cncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000541835086 562621070 /nfs/dbraw/zinc/62/10/70/562621070.db2.gz PSNNSQOXFUYAFU-UHFFFAOYSA-N -1 3 373.321 2.190 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000541931756 562623816 /nfs/dbraw/zinc/62/38/16/562623816.db2.gz AAMUKWMFSOYZTB-GOSISDBHSA-N -1 3 369.381 2.273 20 5 FEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cc([N+](=O)[O-])c1C ZINC000568854050 568236756 /nfs/dbraw/zinc/23/67/56/568236756.db2.gz UYWWBRFUJGXVPE-OLZOCXBDSA-N -1 3 374.390 2.249 20 5 FEBDHM Cc1cc(N[C@@H](C)CCN2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569224136 568315598 /nfs/dbraw/zinc/31/55/98/568315598.db2.gz BWOAPMSCWAKLBK-ZDUSSCGKSA-N -1 3 350.419 2.039 20 5 FEBDHM CC(C)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735581085 598828930 /nfs/dbraw/zinc/82/89/30/598828930.db2.gz NPNGKOQRTZBJDV-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM CC(C)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735581085 598828931 /nfs/dbraw/zinc/82/89/31/598828931.db2.gz NPNGKOQRTZBJDV-UHFFFAOYSA-N -1 3 366.381 2.369 20 5 FEBDHM Cc1ccccc1[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000822350312 599036142 /nfs/dbraw/zinc/03/61/42/599036142.db2.gz CAMNYAAVQIXLFH-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1ccccc1[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000822350312 599036144 /nfs/dbraw/zinc/03/61/44/599036144.db2.gz CAMNYAAVQIXLFH-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM CCC1(O)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820967391 599059854 /nfs/dbraw/zinc/05/98/54/599059854.db2.gz NXFZBTMQUNGFCE-UHFFFAOYSA-N -1 3 369.385 2.064 20 5 FEBDHM CCC1(O)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820967391 599059856 /nfs/dbraw/zinc/05/98/56/599059856.db2.gz NXFZBTMQUNGFCE-UHFFFAOYSA-N -1 3 369.385 2.064 20 5 FEBDHM CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821357134 599100017 /nfs/dbraw/zinc/10/00/17/599100017.db2.gz ADMBEXBIWDFGTD-STQMWFEESA-N -1 3 359.390 2.320 20 5 FEBDHM CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821357134 599100020 /nfs/dbraw/zinc/10/00/20/599100020.db2.gz ADMBEXBIWDFGTD-STQMWFEESA-N -1 3 359.390 2.320 20 5 FEBDHM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739364 599187523 /nfs/dbraw/zinc/18/75/23/599187523.db2.gz MGNCNNUUUMYYPG-UHFFFAOYSA-N -1 3 356.317 2.120 20 5 FEBDHM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739364 599187525 /nfs/dbraw/zinc/18/75/25/599187525.db2.gz MGNCNNUUUMYYPG-UHFFFAOYSA-N -1 3 356.317 2.120 20 5 FEBDHM O=[N+]([O-])c1cc(NCCc2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1 ZINC000823634231 607345525 /nfs/dbraw/zinc/34/55/25/607345525.db2.gz FCBNUIKBNQYBLK-UHFFFAOYSA-N -1 3 354.326 2.158 20 5 FEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737855064 598380684 /nfs/dbraw/zinc/38/06/84/598380684.db2.gz YPIIAGLNCYVVAF-UHFFFAOYSA-N -1 3 356.317 2.485 20 5 FEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737855064 598380686 /nfs/dbraw/zinc/38/06/86/598380686.db2.gz YPIIAGLNCYVVAF-UHFFFAOYSA-N -1 3 356.317 2.485 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000738374433 598498510 /nfs/dbraw/zinc/49/85/10/598498510.db2.gz OJZJJQLMLMOBJU-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM O=[N+]([O-])c1cnc(NCc2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000738374433 598498511 /nfs/dbraw/zinc/49/85/11/598498511.db2.gz OJZJJQLMLMOBJU-UHFFFAOYSA-N -1 3 364.325 2.437 20 5 FEBDHM CCN1CCc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc21 ZINC000736569859 598500660 /nfs/dbraw/zinc/50/06/60/598500660.db2.gz UXRLSGUGQYJLQT-UHFFFAOYSA-N -1 3 352.358 2.296 20 5 FEBDHM CCN1CCc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc21 ZINC000736569859 598500661 /nfs/dbraw/zinc/50/06/61/598500661.db2.gz UXRLSGUGQYJLQT-UHFFFAOYSA-N -1 3 352.358 2.296 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737372744 598552304 /nfs/dbraw/zinc/55/23/04/598552304.db2.gz IZNGZRQDPUJTCB-UHFFFAOYSA-N -1 3 372.316 2.240 20 5 FEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737372744 598552307 /nfs/dbraw/zinc/55/23/07/598552307.db2.gz IZNGZRQDPUJTCB-UHFFFAOYSA-N -1 3 372.316 2.240 20 5 FEBDHM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736893632 599322143 /nfs/dbraw/zinc/32/21/43/599322143.db2.gz RXTSQNRJGZYGPM-ZDUSSCGKSA-N -1 3 368.353 2.144 20 5 FEBDHM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736893632 599322145 /nfs/dbraw/zinc/32/21/45/599322145.db2.gz RXTSQNRJGZYGPM-ZDUSSCGKSA-N -1 3 368.353 2.144 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000823651803 599362589 /nfs/dbraw/zinc/36/25/89/599362589.db2.gz RCGKDOOOMBKREX-UHFFFAOYSA-N -1 3 350.342 2.306 20 5 FEBDHM O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000823651803 599362591 /nfs/dbraw/zinc/36/25/91/599362591.db2.gz RCGKDOOOMBKREX-UHFFFAOYSA-N -1 3 350.342 2.306 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COc1cc([N+](=O)[O-])ccc1OC ZINC000821749795 607375970 /nfs/dbraw/zinc/37/59/70/607375970.db2.gz YLEQQORLAUCWHQ-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COc1cc([N+](=O)[O-])ccc1OC ZINC000821749795 607375972 /nfs/dbraw/zinc/37/59/72/607375972.db2.gz YLEQQORLAUCWHQ-UHFFFAOYSA-N -1 3 357.326 2.371 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)Br)ccc1[N+](=O)[O-] ZINC000808572659 674463531 /nfs/dbraw/zinc/46/35/31/674463531.db2.gz CBQNSAZEWJDSCS-UHFFFAOYSA-N -1 3 359.148 2.169 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821845102 599529883 /nfs/dbraw/zinc/52/98/83/599529883.db2.gz ANMMEOVPVUPNQO-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821845102 599529885 /nfs/dbraw/zinc/52/98/85/599529885.db2.gz ANMMEOVPVUPNQO-SNVBAGLBSA-N -1 3 368.353 2.275 20 5 FEBDHM C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820390176 599537369 /nfs/dbraw/zinc/53/73/69/599537369.db2.gz FUVMPIZWRSFLLJ-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820390176 599537371 /nfs/dbraw/zinc/53/73/71/599537371.db2.gz FUVMPIZWRSFLLJ-VIFPVBQESA-N -1 3 356.317 2.405 20 5 FEBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000820994390 599549571 /nfs/dbraw/zinc/54/95/71/599549571.db2.gz HGIYKADHQGABDS-PWSUYJOCSA-N -1 3 369.385 2.327 20 5 FEBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000820994390 599549572 /nfs/dbraw/zinc/54/95/72/599549572.db2.gz HGIYKADHQGABDS-PWSUYJOCSA-N -1 3 369.385 2.327 20 5 FEBDHM O=C1C[C@@H](c2cccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])c2)CN1 ZINC000823521134 607388744 /nfs/dbraw/zinc/38/87/44/607388744.db2.gz QLCXZQWGFHDHOK-GFCCVEGCSA-N -1 3 365.353 2.122 20 5 FEBDHM O=C1C[C@@H](c2cccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])c2)CN1 ZINC000823521134 607388746 /nfs/dbraw/zinc/38/87/46/607388746.db2.gz QLCXZQWGFHDHOK-GFCCVEGCSA-N -1 3 365.353 2.122 20 5 FEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000821745297 607415762 /nfs/dbraw/zinc/41/57/62/607415762.db2.gz OCYCLXHURDHSAM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000821745297 607415763 /nfs/dbraw/zinc/41/57/63/607415763.db2.gz OCYCLXHURDHSAM-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM C[C@H](CN1CCCCC1)Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000827455605 601248255 /nfs/dbraw/zinc/24/82/55/601248255.db2.gz MNKPDIPSDGYPDX-SNVBAGLBSA-N -1 3 352.347 2.488 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1-c1nnn[n-]1 ZINC000826206273 607593967 /nfs/dbraw/zinc/59/39/67/607593967.db2.gz LGCZOJJTGWUEFL-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1-c1nn[n-]n1 ZINC000826206273 607593971 /nfs/dbraw/zinc/59/39/71/607593971.db2.gz LGCZOJJTGWUEFL-UHFFFAOYSA-N -1 3 361.339 2.202 20 5 FEBDHM O=C([O-])NC[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000740614304 603072356 /nfs/dbraw/zinc/07/23/56/603072356.db2.gz PJUNSNUTNWUWNE-NSHDSACASA-N -1 3 358.192 2.493 20 5 FEBDHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000820921092 606588743 /nfs/dbraw/zinc/58/87/43/606588743.db2.gz VUBNCLLDUAJFSZ-CYBMUJFWSA-N -1 3 353.342 2.051 20 5 FEBDHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000820921092 606588745 /nfs/dbraw/zinc/58/87/45/606588745.db2.gz VUBNCLLDUAJFSZ-CYBMUJFWSA-N -1 3 353.342 2.051 20 5 FEBDHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823460613 606669345 /nfs/dbraw/zinc/66/93/45/606669345.db2.gz RGWYTWYDIUZABX-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823460613 606669346 /nfs/dbraw/zinc/66/93/46/606669346.db2.gz RGWYTWYDIUZABX-UHFFFAOYSA-N -1 3 372.291 2.256 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000823646894 606728859 /nfs/dbraw/zinc/72/88/59/606728859.db2.gz CHPNTUVNQYHNMO-LLVKDONJSA-N -1 3 355.333 2.303 20 5 FEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000823646894 606728860 /nfs/dbraw/zinc/72/88/60/606728860.db2.gz CHPNTUVNQYHNMO-LLVKDONJSA-N -1 3 355.333 2.303 20 5 FEBDHM CCc1nnc(NCc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1CC ZINC000821541877 606922555 /nfs/dbraw/zinc/92/25/55/606922555.db2.gz BWZVPPOVAKEBJM-UHFFFAOYSA-N -1 3 354.374 2.302 20 5 FEBDHM CCc1nnc(NCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1CC ZINC000821541877 606922556 /nfs/dbraw/zinc/92/25/56/606922556.db2.gz BWZVPPOVAKEBJM-UHFFFAOYSA-N -1 3 354.374 2.302 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1F ZINC000823414046 607079863 /nfs/dbraw/zinc/07/98/63/607079863.db2.gz QODVRACWNFYUJO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1F ZINC000823414046 607079865 /nfs/dbraw/zinc/07/98/65/607079865.db2.gz QODVRACWNFYUJO-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000823413876 607081284 /nfs/dbraw/zinc/08/12/84/607081284.db2.gz OXBSYRWCTANXKV-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000823413876 607081285 /nfs/dbraw/zinc/08/12/85/607081285.db2.gz OXBSYRWCTANXKV-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823652002 607131653 /nfs/dbraw/zinc/13/16/53/607131653.db2.gz VNPCFVPPDZTXQV-NSHDSACASA-N -1 3 359.390 2.464 20 5 FEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823652002 607131654 /nfs/dbraw/zinc/13/16/54/607131654.db2.gz VNPCFVPPDZTXQV-NSHDSACASA-N -1 3 359.390 2.464 20 5 FEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000823031701 607159049 /nfs/dbraw/zinc/15/90/49/607159049.db2.gz HDZFRATZSKFXDG-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000823031701 607159050 /nfs/dbraw/zinc/15/90/50/607159050.db2.gz HDZFRATZSKFXDG-UHFFFAOYSA-N -1 3 374.744 2.446 20 5 FEBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470122 607948927 /nfs/dbraw/zinc/94/89/27/607948927.db2.gz DBRKBVBFXUCDMO-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470122 607948928 /nfs/dbraw/zinc/94/89/28/607948928.db2.gz DBRKBVBFXUCDMO-UHFFFAOYSA-N -1 3 354.301 2.117 20 5 FEBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824811804 607967331 /nfs/dbraw/zinc/96/73/31/607967331.db2.gz CWJRPCITCOUENT-UHFFFAOYSA-N -1 3 351.370 2.468 20 5 FEBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824811804 607967332 /nfs/dbraw/zinc/96/73/32/607967332.db2.gz CWJRPCITCOUENT-UHFFFAOYSA-N -1 3 351.370 2.468 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1sccc1-c1nnn[n-]1 ZINC000826421406 608000268 /nfs/dbraw/zinc/00/02/68/608000268.db2.gz GUYCHCUSQUZLEB-UHFFFAOYSA-N -1 3 369.366 2.499 20 5 FEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1sccc1-c1nn[n-]n1 ZINC000826421406 608000269 /nfs/dbraw/zinc/00/02/69/608000269.db2.gz GUYCHCUSQUZLEB-UHFFFAOYSA-N -1 3 369.366 2.499 20 5 FEBDHM Cc1nc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826327113 608052509 /nfs/dbraw/zinc/05/25/09/608052509.db2.gz SKEKPSUKYOAVLU-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM Cc1nc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826327113 608052510 /nfs/dbraw/zinc/05/25/10/608052510.db2.gz SKEKPSUKYOAVLU-HNNXBMFYSA-N -1 3 367.369 2.056 20 5 FEBDHM CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180652 608161137 /nfs/dbraw/zinc/16/11/37/608161137.db2.gz AAMXBSFXMMCXBP-GZMMTYOYSA-N -1 3 366.765 2.324 20 5 FEBDHM CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000825180652 608161139 /nfs/dbraw/zinc/16/11/39/608161139.db2.gz AAMXBSFXMMCXBP-GZMMTYOYSA-N -1 3 366.765 2.324 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826499004 608296411 /nfs/dbraw/zinc/29/64/11/608296411.db2.gz RMORXZIUWMQEPN-OLZOCXBDSA-N -1 3 358.402 2.418 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499004 608296412 /nfs/dbraw/zinc/29/64/12/608296412.db2.gz RMORXZIUWMQEPN-OLZOCXBDSA-N -1 3 358.402 2.418 20 5 FEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000826172412 608363772 /nfs/dbraw/zinc/36/37/72/608363772.db2.gz DVFJXAXOCPUCQG-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000826172412 608363774 /nfs/dbraw/zinc/36/37/74/608363774.db2.gz DVFJXAXOCPUCQG-UHFFFAOYSA-N -1 3 373.300 2.280 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826417971 608435543 /nfs/dbraw/zinc/43/55/43/608435543.db2.gz MQPLBBJOBNFXKA-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826417971 608435545 /nfs/dbraw/zinc/43/55/45/608435545.db2.gz MQPLBBJOBNFXKA-UHFFFAOYSA-N -1 3 373.300 2.036 20 5 FEBDHM C[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824563471 608468469 /nfs/dbraw/zinc/46/84/69/608468469.db2.gz PCVKAUWHZVGGTA-SECBINFHSA-N -1 3 373.398 2.126 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@](O)(c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826498719 609169051 /nfs/dbraw/zinc/16/90/51/609169051.db2.gz GXOWLKFOUQDXDQ-QGZVFWFLSA-N -1 3 370.344 2.012 20 5 FEBDHM O=[N+]([O-])c1ccc(N2CC[C@](O)(c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826498719 609169054 /nfs/dbraw/zinc/16/90/54/609169054.db2.gz GXOWLKFOUQDXDQ-QGZVFWFLSA-N -1 3 370.344 2.012 20 5 FEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826263658 609424787 /nfs/dbraw/zinc/42/47/87/609424787.db2.gz LNDQKFFCCKNODS-UHFFFAOYSA-N -1 3 356.342 2.245 20 5 FEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000101572034 670768964 /nfs/dbraw/zinc/76/89/64/670768964.db2.gz SXQKGPQANDSVQK-LLVKDONJSA-N -1 3 361.851 2.258 20 5 FEBDHM COC(=O)CCc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000609872442 675940666 /nfs/dbraw/zinc/94/06/66/675940666.db2.gz KKULUVUYVYHUOT-UHFFFAOYSA-N -1 3 350.356 2.113 20 5 FEBDHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000134494125 672123167 /nfs/dbraw/zinc/12/31/67/672123167.db2.gz GXOPLYYCQGZDJP-CQSZACIVSA-N -1 3 354.359 2.054 20 5 FEBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157176324 672255559 /nfs/dbraw/zinc/25/55/59/672255559.db2.gz GQHCNQHIUJHZRS-UHFFFAOYSA-N -1 3 362.689 2.451 20 5 FEBDHM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000610982968 676008767 /nfs/dbraw/zinc/00/87/67/676008767.db2.gz LFGXSQAMPLHUJB-UHFFFAOYSA-N -1 3 367.383 2.002 20 5 FEBDHM COc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176664074 672375963 /nfs/dbraw/zinc/37/59/63/672375963.db2.gz DVJSHJCQUQZOTF-UHFFFAOYSA-N -1 3 371.802 2.439 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000592099387 672755785 /nfs/dbraw/zinc/75/57/85/672755785.db2.gz HXRRDISSJBNDGH-ZDUSSCGKSA-N -1 3 358.416 2.135 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000592099884 672755878 /nfs/dbraw/zinc/75/58/78/672755878.db2.gz PGOXTRLQGMLJJR-ZDUSSCGKSA-N -1 3 372.443 2.177 20 5 FEBDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593571549 672946640 /nfs/dbraw/zinc/94/66/40/672946640.db2.gz GZCVTLPGMADOAW-MEBBXXQBSA-N -1 3 369.374 2.183 20 5 FEBDHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574381 672948190 /nfs/dbraw/zinc/94/81/90/672948190.db2.gz BDDBSLLCDZACAH-LBPRGKRZSA-N -1 3 373.431 2.026 20 5 FEBDHM CCc1nnc(NC(=O)[C@@H](C)[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596232445 673370398 /nfs/dbraw/zinc/37/03/98/673370398.db2.gz UEHLQTNDQLBHPZ-YUMQZZPRSA-N -1 3 366.403 2.185 20 5 FEBDHM O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000542446472 673582682 /nfs/dbraw/zinc/58/26/82/673582682.db2.gz RAVBMKBFTJFNKG-UHFFFAOYSA-N -1 3 360.717 2.386 20 5 FEBDHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000543253224 673636151 /nfs/dbraw/zinc/63/61/51/673636151.db2.gz HENWXHRHCIWMFQ-IUCAKERBSA-N -1 3 364.807 2.114 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601394076 673854409 /nfs/dbraw/zinc/85/44/09/673854409.db2.gz NIYVWTMIYWCGIR-TZMCWYRMSA-N -1 3 360.457 2.448 20 5 FEBDHM CCOc1cc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000566357136 675207865 /nfs/dbraw/zinc/20/78/65/675207865.db2.gz HVTMIIGIOJFGNL-AWEZNQCLSA-N -1 3 352.387 2.449 20 5 FEBDHM Cc1ncsc1[N-]C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000760955334 680705771 /nfs/dbraw/zinc/70/57/71/680705771.db2.gz ISKDSDWBHYHXTE-UHFFFAOYSA-N -1 3 366.311 2.291 20 5 FEBDHM O=C1OCc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc21 ZINC000763086916 680771881 /nfs/dbraw/zinc/77/18/81/680771881.db2.gz RVBRTFMSXKOFTD-UHFFFAOYSA-N -1 3 352.299 2.205 20 5 FEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206609 680835280 /nfs/dbraw/zinc/83/52/80/680835280.db2.gz BYAXDBFBVAEXDS-SKDRFNHKSA-N -1 3 359.835 2.009 20 5 FEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000758426701 680578619 /nfs/dbraw/zinc/57/86/19/680578619.db2.gz JXQWJRDSOZVVRT-ARJAWSKDSA-N -1 3 358.339 2.439 20 5 FEBDHM CC(C)c1nnc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1C ZINC000758599112 680595814 /nfs/dbraw/zinc/59/58/14/680595814.db2.gz GISLAFPZBXUMME-UHFFFAOYSA-N -1 3 353.329 2.255 20 5 FEBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000771562387 681060032 /nfs/dbraw/zinc/06/00/32/681060032.db2.gz NOCOJVIEJVFPRF-GFCCVEGCSA-N -1 3 361.851 2.399 20 5 FEBDHM CC(C)n1ncnc1C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592528 681586266 /nfs/dbraw/zinc/58/62/66/681586266.db2.gz VZDOHFJUKDXGNR-UHFFFAOYSA-N -1 3 355.301 2.055 20 5 FEBDHM O=C([N-][C@H]1CCN(CC(F)(F)F)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778254209 681589984 /nfs/dbraw/zinc/58/99/84/681589984.db2.gz VEGDKMOILVQSJI-JTQLQIEISA-N -1 3 367.274 2.439 20 5 FEBDHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849412528 681721073 /nfs/dbraw/zinc/72/10/73/681721073.db2.gz QAGCEQUGCHMUGX-LLVKDONJSA-N -1 3 361.851 2.399 20 5 FEBDHM O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000914856546 685510160 /nfs/dbraw/zinc/51/01/60/685510160.db2.gz FQKQKKMBWWKOHK-UHFFFAOYSA-N -1 3 357.351 2.422 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC32CCC2)c(Cl)c1 ZINC000922107587 683660964 /nfs/dbraw/zinc/66/09/64/683660964.db2.gz ZGKCEAKURXZVOQ-LKFCYVNXSA-N -1 3 358.803 2.238 20 5 FEBDHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000872656932 684997686 /nfs/dbraw/zinc/99/76/86/684997686.db2.gz PBSYRTJKUGOFJW-CUMGRINNSA-N -1 3 358.391 2.278 20 5 FEBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc(C(=O)OC)c1 ZINC000015013070 539609028 /nfs/dbraw/zinc/60/90/28/539609028.db2.gz FJLBBTMMIUUHPX-UHFFFAOYSA-N -1 3 364.335 2.482 20 5 FEBDHM Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000016085387 539626758 /nfs/dbraw/zinc/62/67/58/539626758.db2.gz IKNLSXPEVAPSJK-UHFFFAOYSA-N -1 3 363.395 2.129 20 5 FEBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000024485133 539733448 /nfs/dbraw/zinc/73/34/48/539733448.db2.gz QNYYYOGTJXFJCH-LBPRGKRZSA-N -1 3 370.408 2.239 20 5 FEBDHM COCc1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000026971623 539799254 /nfs/dbraw/zinc/79/92/54/539799254.db2.gz WGKWZNQCCKJNRQ-UHFFFAOYSA-N -1 3 366.395 2.228 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000028333043 539831100 /nfs/dbraw/zinc/83/11/00/539831100.db2.gz KUPOIQDRYDRCNV-UHFFFAOYSA-N -1 3 370.358 2.100 20 5 FEBDHM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000800967617 674095104 /nfs/dbraw/zinc/09/51/04/674095104.db2.gz ZAVRPHYBHRSVCZ-OAHLLOKOSA-N -1 3 368.386 2.363 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000045743776 540224441 /nfs/dbraw/zinc/22/44/41/540224441.db2.gz QIDFGEOWDJHONT-AWEZNQCLSA-N -1 3 361.423 2.400 20 5 FEBDHM COC(=O)COc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000046476369 540259146 /nfs/dbraw/zinc/25/91/46/540259146.db2.gz YJKWKAVTXAKXQS-UHFFFAOYSA-N -1 3 370.321 2.275 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000055242983 540639121 /nfs/dbraw/zinc/63/91/21/540639121.db2.gz FHAZFWNEACAIGE-UHFFFAOYSA-N -1 3 354.359 2.264 20 5 FEBDHM COc1cccc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000056068635 540699537 /nfs/dbraw/zinc/69/95/37/540699537.db2.gz IOOJTBGRXQZPGR-UHFFFAOYSA-N -1 3 350.396 2.433 20 5 FEBDHM COCCOc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000863 541277732 /nfs/dbraw/zinc/27/77/32/541277732.db2.gz JLFIPMPWNYYCPN-UHFFFAOYSA-N -1 3 372.424 2.160 20 5 FEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)C1 ZINC000068037561 541541247 /nfs/dbraw/zinc/54/12/47/541541247.db2.gz IHJWSLKPMBGATA-HNNXBMFYSA-N -1 3 361.423 2.148 20 5 FEBDHM Cc1c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000068382034 541584987 /nfs/dbraw/zinc/58/49/87/541584987.db2.gz MCCUXDBYVRTKOL-JTQLQIEISA-N -1 3 369.424 2.270 20 5 FEBDHM CC[C@H]1C[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC(=O)N1 ZINC000543616929 541622076 /nfs/dbraw/zinc/62/20/76/541622076.db2.gz OSLFGIOHHMHAKD-RYUDHWBXSA-N -1 3 357.370 2.228 20 5 FEBDHM CC1CCN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997040 543001685 /nfs/dbraw/zinc/00/16/85/543001685.db2.gz NVKSHCVTYIXBID-UHFFFAOYSA-N -1 3 359.423 2.134 20 5 FEBDHM CCc1nc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000102413242 543069337 /nfs/dbraw/zinc/06/93/37/543069337.db2.gz PVLMCZBAVKGOMU-UHFFFAOYSA-N -1 3 355.441 2.443 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1sc(C)nc1C ZINC000108404891 543288695 /nfs/dbraw/zinc/28/86/95/543288695.db2.gz MCMPELJMDDDQSZ-UHFFFAOYSA-N -1 3 371.440 2.198 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1sc(C)nc1C ZINC000108404650 543289125 /nfs/dbraw/zinc/28/91/25/543289125.db2.gz BOGCVENHVFYING-UHFFFAOYSA-N -1 3 371.440 2.198 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc1[N+](=O)[O-] ZINC000124757641 543841486 /nfs/dbraw/zinc/84/14/86/543841486.db2.gz PZCAJXLNPFOEKS-UHFFFAOYSA-N -1 3 352.344 2.035 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000129237222 544099299 /nfs/dbraw/zinc/09/92/99/544099299.db2.gz GHAXXQJYUXLQFZ-XJKSGUPXSA-N -1 3 364.423 2.174 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000189148351 328131340 /nfs/dbraw/zinc/13/13/40/328131340.db2.gz AZCKUXSTDJINEG-QWHCGFSZSA-N -1 3 371.459 2.002 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000190005044 328181982 /nfs/dbraw/zinc/18/19/82/328181982.db2.gz DDQLFVZMEODLCL-UGFHNGPFSA-N -1 3 354.428 2.303 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)c1[N+](=O)[O-] ZINC000190109273 328188818 /nfs/dbraw/zinc/18/88/18/328188818.db2.gz BHAKBWOCPBETEF-LBPRGKRZSA-N -1 3 356.425 2.285 20 5 FEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000190367292 328203281 /nfs/dbraw/zinc/20/32/81/328203281.db2.gz RPMQZDPHXILLIO-OAHLLOKOSA-N -1 3 360.407 2.344 20 5 FEBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000191043964 328247173 /nfs/dbraw/zinc/24/71/73/328247173.db2.gz JFCILZWQBHNASJ-WCBMZHEXSA-N -1 3 368.333 2.459 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)cc1C ZINC000097271751 325460280 /nfs/dbraw/zinc/46/02/80/325460280.db2.gz JOLVSDAFMNPPEL-DOTOQJQBSA-N -1 3 362.407 2.148 20 5 FEBDHM CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244810 326243367 /nfs/dbraw/zinc/24/33/67/326243367.db2.gz RFUGWALOOLEWHI-ZDUSSCGKSA-N -1 3 373.450 2.380 20 5 FEBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000125334302 326469833 /nfs/dbraw/zinc/46/98/33/326469833.db2.gz YJNQOXRAOIQYKD-CYBMUJFWSA-N -1 3 356.425 2.118 20 5 FEBDHM O=C(c1ccc([O-])cc1)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132684789 326596527 /nfs/dbraw/zinc/59/65/27/326596527.db2.gz GJHBUHMPQUKWEQ-UHFFFAOYSA-N -1 3 371.393 2.057 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155808162 326805840 /nfs/dbraw/zinc/80/58/40/326805840.db2.gz HXLNXVRETVEGPE-DFBGVHRSSA-N -1 3 352.412 2.139 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCc1cccn1C ZINC000173608813 327270567 /nfs/dbraw/zinc/27/05/67/327270567.db2.gz CMSIKTZAFVFWCN-LBPRGKRZSA-N -1 3 367.427 2.242 20 5 FEBDHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000173808666 327285748 /nfs/dbraw/zinc/28/57/48/327285748.db2.gz QLBFWIDYQUNZKI-UHFFFAOYSA-N -1 3 359.404 2.274 20 5 FEBDHM O=C(c1cccc([O-])c1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174669450 327342503 /nfs/dbraw/zinc/34/25/03/327342503.db2.gz JKIQEJVWWYJCQD-UHFFFAOYSA-N -1 3 371.393 2.137 20 5 FEBDHM Cc1ccc(CC(=O)[N-]OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000177580970 327531544 /nfs/dbraw/zinc/53/15/44/327531544.db2.gz HQBOJFCAEZFFAM-UHFFFAOYSA-N -1 3 369.377 2.083 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000269766606 329546931 /nfs/dbraw/zinc/54/69/31/329546931.db2.gz LKNINXHXPXRGHZ-UHFFFAOYSA-N -1 3 366.395 2.220 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](CC(C)C)C1 ZINC000271914442 329736775 /nfs/dbraw/zinc/73/67/75/329736775.db2.gz BEWRWMVVTGEQDX-GXTWGEPZSA-N -1 3 372.443 2.475 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000273604211 329878484 /nfs/dbraw/zinc/87/84/84/329878484.db2.gz GNZHTQJEADAGBN-LBPRGKRZSA-N -1 3 358.416 2.231 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000158104350 545824089 /nfs/dbraw/zinc/82/40/89/545824089.db2.gz GGUGBPHPXSMIFQ-GFCCVEGCSA-N -1 3 373.394 2.215 20 5 FEBDHM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000158554707 545871400 /nfs/dbraw/zinc/87/14/00/545871400.db2.gz FZRTZRHXMXKYFU-NSHDSACASA-N -1 3 354.306 2.071 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000167232902 546158169 /nfs/dbraw/zinc/15/81/69/546158169.db2.gz FMCWNRXIQCZKNC-GLQYFDAESA-N -1 3 370.402 2.360 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000175621965 546322199 /nfs/dbraw/zinc/32/21/99/546322199.db2.gz RYDOWDZJAKQYTI-VIFPVBQESA-N -1 3 357.413 2.408 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C)CCC(OC)CC1 ZINC000480397779 561208465 /nfs/dbraw/zinc/20/84/65/561208465.db2.gz RZZAPAQLQXMMRH-UHFFFAOYSA-N -1 3 372.443 2.477 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C ZINC000480727264 561215369 /nfs/dbraw/zinc/21/53/69/561215369.db2.gz JYMSKCVGPLAWLG-LBPRGKRZSA-N -1 3 358.416 2.302 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOc2ncccc2F)c1[N+](=O)[O-] ZINC000480729159 561215488 /nfs/dbraw/zinc/21/54/88/561215488.db2.gz RMLVEMUMESCVFI-UHFFFAOYSA-N -1 3 369.374 2.103 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@](C)(O)C1CCCCC1 ZINC000480836206 561217796 /nfs/dbraw/zinc/21/77/96/561217796.db2.gz AVQJIRVJLLQSNY-MRXNPFEDSA-N -1 3 372.443 2.213 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC[C@H](C)C2)c1C ZINC000480949969 561221022 /nfs/dbraw/zinc/22/10/22/561221022.db2.gz HGBVLPFSVWDEDD-LBPRGKRZSA-N -1 3 355.460 2.222 20 5 FEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481047317 561223766 /nfs/dbraw/zinc/22/37/66/561223766.db2.gz SEBSRPVRJSUXKB-AWEZNQCLSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1c(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000481482722 561233720 /nfs/dbraw/zinc/23/37/20/561233720.db2.gz QXQIQWOMTOHMBI-UHFFFAOYSA-N -1 3 363.395 2.205 20 5 FEBDHM CSc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000482243774 561251135 /nfs/dbraw/zinc/25/11/35/561251135.db2.gz WLQLCOZQMYAJLM-UHFFFAOYSA-N -1 3 361.305 2.384 20 5 FEBDHM CSc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000482243774 561251136 /nfs/dbraw/zinc/25/11/36/561251136.db2.gz WLQLCOZQMYAJLM-UHFFFAOYSA-N -1 3 361.305 2.384 20 5 FEBDHM CSc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000482243774 561251137 /nfs/dbraw/zinc/25/11/37/561251137.db2.gz WLQLCOZQMYAJLM-UHFFFAOYSA-N -1 3 361.305 2.384 20 5 FEBDHM Cc1ccc(NCCCNC(=O)c2cccc3nn[n-]c32)c([N+](=O)[O-])c1 ZINC000180051750 547043965 /nfs/dbraw/zinc/04/39/65/547043965.db2.gz LIWJYRUVQJENRS-UHFFFAOYSA-N -1 3 354.370 2.407 20 5 FEBDHM Cc1ccc(NCCCNC(=O)c2cccc3[n-]nnc32)c([N+](=O)[O-])c1 ZINC000180051750 547043970 /nfs/dbraw/zinc/04/39/70/547043970.db2.gz LIWJYRUVQJENRS-UHFFFAOYSA-N -1 3 354.370 2.407 20 5 FEBDHM Cc1ccc(NCCCNC(=O)c2cccc3n[n-]nc32)c([N+](=O)[O-])c1 ZINC000180051750 547043974 /nfs/dbraw/zinc/04/39/74/547043974.db2.gz LIWJYRUVQJENRS-UHFFFAOYSA-N -1 3 354.370 2.407 20 5 FEBDHM Cn1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000182330222 547473574 /nfs/dbraw/zinc/47/35/74/547473574.db2.gz WSKNZHZAFPKVGB-UHFFFAOYSA-N -1 3 372.406 2.474 20 5 FEBDHM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000185764287 548032952 /nfs/dbraw/zinc/03/29/52/548032952.db2.gz ZPNCUFUIWBLQAG-AWEZNQCLSA-N -1 3 370.409 2.432 20 5 FEBDHM COc1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000486689151 561354474 /nfs/dbraw/zinc/35/44/74/561354474.db2.gz OJCZMUXJQKWJJB-SECBINFHSA-N -1 3 350.343 2.460 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000487114894 561364124 /nfs/dbraw/zinc/36/41/24/561364124.db2.gz OGHDOPVYGROXLU-LRDDRELGSA-N -1 3 372.443 2.333 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000246057987 549043613 /nfs/dbraw/zinc/04/36/13/549043613.db2.gz QXXWSJSGKVCEHL-IAOVAPTHSA-N -1 3 360.391 2.220 20 5 FEBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000264135228 549983105 /nfs/dbraw/zinc/98/31/05/549983105.db2.gz SWUMSWSARRDLSJ-AWEZNQCLSA-N -1 3 366.395 2.269 20 5 FEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000493985754 561460470 /nfs/dbraw/zinc/46/04/70/561460470.db2.gz OUQAHQKHLDTBOJ-UHFFFAOYSA-N -1 3 368.367 2.070 20 5 FEBDHM CC1CCN(Cc2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)CC1 ZINC000270926568 550322214 /nfs/dbraw/zinc/32/22/14/550322214.db2.gz DNSWIMKOSJZSEV-UHFFFAOYSA-N -1 3 364.431 2.269 20 5 FEBDHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000271135675 550344104 /nfs/dbraw/zinc/34/41/04/550344104.db2.gz QZFYEAAGDJXZAN-JTQLQIEISA-N -1 3 364.431 2.269 20 5 FEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000272035928 550418054 /nfs/dbraw/zinc/41/80/54/550418054.db2.gz KIUUVJUKSNBLNI-JSGCOSHPSA-N -1 3 372.443 2.475 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1 ZINC000273541167 550502116 /nfs/dbraw/zinc/50/21/16/550502116.db2.gz DZEGXEQGWWXGPZ-AWEZNQCLSA-N -1 3 370.427 2.090 20 5 FEBDHM O=[N+]([O-])c1ccc2c(c1NCC[N-]S(=O)(=O)c1cccs1)CCN2 ZINC000278440203 550786377 /nfs/dbraw/zinc/78/63/77/550786377.db2.gz QNCUWRYBGIJFRQ-UHFFFAOYSA-N -1 3 368.440 2.015 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(c3nc[nH]n3)CCC2)c1 ZINC000281207555 551073824 /nfs/dbraw/zinc/07/38/24/551073824.db2.gz PWXHAMNKULYIRE-UHFFFAOYSA-N -1 3 371.806 2.032 20 5 FEBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000292919141 552771285 /nfs/dbraw/zinc/77/12/85/552771285.db2.gz XVIOHMLVLPSWNJ-UHFFFAOYSA-N -1 3 357.363 2.380 20 5 FEBDHM CC(C)O[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000295450467 553008712 /nfs/dbraw/zinc/00/87/12/553008712.db2.gz AWOFNFUHXUERGR-UHFFFAOYSA-N -1 3 350.112 2.269 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1ncccc1C ZINC000296159657 553114575 /nfs/dbraw/zinc/11/45/75/553114575.db2.gz STBFUABVFUEJOG-UHFFFAOYSA-N -1 3 365.411 2.218 20 5 FEBDHM COc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000302667625 553724415 /nfs/dbraw/zinc/72/44/15/553724415.db2.gz QJPJVZMTKVEMQP-UHFFFAOYSA-N -1 3 357.366 2.271 20 5 FEBDHM COC(=O)CCCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000324889822 553774044 /nfs/dbraw/zinc/77/40/44/553774044.db2.gz SAQUUFJCTPANGG-UHFFFAOYSA-N -1 3 358.416 2.223 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507380841 561727217 /nfs/dbraw/zinc/72/72/17/561727217.db2.gz MJOCKQKXRTVHQT-KGLIPLIRSA-N -1 3 355.460 2.444 20 5 FEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436493 554264309 /nfs/dbraw/zinc/26/43/09/554264309.db2.gz CWZZTQNUZDAEMK-JOYOIKCWSA-N -1 3 359.835 2.009 20 5 FEBDHM COc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2[O-])[nH][nH]1 ZINC000609201602 554349011 /nfs/dbraw/zinc/34/90/11/554349011.db2.gz RJZJPEIQJBGWSX-UHFFFAOYSA-N -1 3 355.310 2.346 20 5 FEBDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000510998710 561853528 /nfs/dbraw/zinc/85/35/28/561853528.db2.gz FLYMJUAYXXVGTD-AWEZNQCLSA-N -1 3 355.460 2.364 20 5 FEBDHM Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000511874856 561883779 /nfs/dbraw/zinc/88/37/79/561883779.db2.gz SEIDZLUOZDGCNK-UHFFFAOYSA-N -1 3 374.378 2.435 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCCC2 ZINC000363612840 555147297 /nfs/dbraw/zinc/14/72/97/555147297.db2.gz GRQNJTHUFMFLRI-SECBINFHSA-N -1 3 371.444 2.014 20 5 FEBDHM CN1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365776818 555665626 /nfs/dbraw/zinc/66/56/26/555665626.db2.gz DGCAQHISYMWSSM-DZGCQCFKSA-N -1 3 360.345 2.010 20 5 FEBDHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000369677514 556665611 /nfs/dbraw/zinc/66/56/11/556665611.db2.gz GCRVDMXSTFXNLJ-ZDUSSCGKSA-N -1 3 364.379 2.406 20 5 FEBDHM O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000516783555 562057899 /nfs/dbraw/zinc/05/78/99/562057899.db2.gz HZXLESBYXDCGDO-UHFFFAOYSA-N -1 3 368.271 2.308 20 5 FEBDHM Cc1cc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc([N+](=O)[O-])c1 ZINC000520452575 562156833 /nfs/dbraw/zinc/15/68/33/562156833.db2.gz DWYORSXTVWHRRI-GOSISDBHSA-N -1 3 368.349 2.210 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cccc(O)c1 ZINC000383465140 558604845 /nfs/dbraw/zinc/60/48/45/558604845.db2.gz IJYFSWUDQPGUQO-SNVBAGLBSA-N -1 3 352.368 2.349 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)cc1C ZINC000386283466 558607099 /nfs/dbraw/zinc/60/70/99/558607099.db2.gz RLBWXDYSIHVCIP-CQSZACIVSA-N -1 3 356.444 2.431 20 5 FEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC[C@H](C)CC1 ZINC000392385497 558617405 /nfs/dbraw/zinc/61/74/05/558617405.db2.gz ICRLLMOIFFTHQH-XYPYZODXSA-N -1 3 356.400 2.238 20 5 FEBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000408026505 558639424 /nfs/dbraw/zinc/63/94/24/558639424.db2.gz YMCZHGQAFOMJSZ-QWRGUYRKSA-N -1 3 356.400 2.223 20 5 FEBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416416346 559311420 /nfs/dbraw/zinc/31/14/20/559311420.db2.gz VOGGCWSIGUXDKK-UHFFFAOYSA-N -1 3 370.349 2.301 20 5 FEBDHM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416475390 559315931 /nfs/dbraw/zinc/31/59/31/559315931.db2.gz UIMZUGOBJPDVMP-GHMZBOCLSA-N -1 3 368.333 2.051 20 5 FEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(C)C ZINC000416615143 559325266 /nfs/dbraw/zinc/32/52/66/559325266.db2.gz GSQRVGSYYQVIDE-WCQYABFASA-N -1 3 350.824 2.322 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000416614730 559325322 /nfs/dbraw/zinc/32/53/22/559325322.db2.gz STGZALUXUFRWJK-NSHDSACASA-N -1 3 374.415 2.158 20 5 FEBDHM COc1cc(CNc2ccn(CCC(F)(F)F)n2)c([N+](=O)[O-])cc1[O-] ZINC000424212536 559658099 /nfs/dbraw/zinc/65/80/99/559658099.db2.gz QTRRTQZGHBRJMD-UHFFFAOYSA-N -1 3 360.292 3.070 20 5 FEBDHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000435900661 559932012 /nfs/dbraw/zinc/93/20/12/559932012.db2.gz FRARSYYFRBZEKP-LLVKDONJSA-N -1 3 365.349 2.327 20 5 FEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436871197 559954890 /nfs/dbraw/zinc/95/48/90/559954890.db2.gz JBWBMTAGRFSGRR-UHFFFAOYSA-N -1 3 371.393 2.267 20 5 FEBDHM O=C(NCCNc1nc2ccccc2cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000436995740 559958925 /nfs/dbraw/zinc/95/89/25/559958925.db2.gz CABKJKBQDFSTAG-UHFFFAOYSA-N -1 3 352.350 2.691 20 5 FEBDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442228961 560046332 /nfs/dbraw/zinc/04/63/32/560046332.db2.gz KNTSVHGVXDLZRB-UHFFFAOYSA-N -1 3 365.411 2.336 20 5 FEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443298096 560078496 /nfs/dbraw/zinc/07/84/96/560078496.db2.gz SYFYVSSTDINOKY-TVQRCGJNSA-N -1 3 350.824 2.324 20 5 FEBDHM COc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000443561954 560087614 /nfs/dbraw/zinc/08/76/14/560087614.db2.gz BVFIBRCPOCOBLF-SNVBAGLBSA-N -1 3 359.338 2.066 20 5 FEBDHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000443756844 560091923 /nfs/dbraw/zinc/09/19/23/560091923.db2.gz KQODHOOQERLVRO-CQSZACIVSA-N -1 3 372.443 2.381 20 5 FEBDHM Cc1ncc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(=O)[n-]1 ZINC000444301323 560108619 /nfs/dbraw/zinc/10/86/19/560108619.db2.gz LVBRVBXTPWDXKN-UHFFFAOYSA-N -1 3 360.373 2.415 20 5 FEBDHM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444996372 560126433 /nfs/dbraw/zinc/12/64/33/560126433.db2.gz KLAHAALZSQMNSD-UHFFFAOYSA-N -1 3 360.301 2.214 20 5 FEBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191888 560130551 /nfs/dbraw/zinc/13/05/51/560130551.db2.gz YCEOWBWCAAKWLQ-SWLSCSKDSA-N -1 3 356.382 2.261 20 5 FEBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032666 560155399 /nfs/dbraw/zinc/15/53/99/560155399.db2.gz ZUNNRIVRWUJSCJ-QMMMGPOBSA-N -1 3 356.322 2.317 20 5 FEBDHM Cc1nc(C)n(CCCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)n1 ZINC000449837142 560241967 /nfs/dbraw/zinc/24/19/67/560241967.db2.gz XWNXDRBHJROVBR-UHFFFAOYSA-N -1 3 369.385 2.612 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)c1C ZINC000451853944 560332536 /nfs/dbraw/zinc/33/25/36/560332536.db2.gz MKHVSNIIUIFQOV-HOCLYGCPSA-N -1 3 368.455 2.287 20 5 FEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)cc1C ZINC000451859345 560332997 /nfs/dbraw/zinc/33/29/97/560332997.db2.gz SRSLNEGEHIZUIP-PBHICJAKSA-N -1 3 368.455 2.287 20 5 FEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)O ZINC000451889135 560334893 /nfs/dbraw/zinc/33/48/93/560334893.db2.gz JZVHGDMUTDVHRD-OIBJUYFYSA-N -1 3 356.322 2.051 20 5 FEBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451936621 560339239 /nfs/dbraw/zinc/33/92/39/560339239.db2.gz YNVCXBRVFSDHME-LBPRGKRZSA-N -1 3 352.416 2.468 20 5 FEBDHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451985532 560342629 /nfs/dbraw/zinc/34/26/29/560342629.db2.gz WSGSRWQTUGDIGN-GHMZBOCLSA-N -1 3 370.349 2.441 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000466541087 560889273 /nfs/dbraw/zinc/88/92/73/560889273.db2.gz QLNJQOLGRWQZIA-GFCCVEGCSA-N -1 3 352.343 2.454 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000466753677 560894670 /nfs/dbraw/zinc/89/46/70/560894670.db2.gz LYHBYUCNDPFMBQ-ZDUSSCGKSA-N -1 3 370.452 2.155 20 5 FEBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H](C)CC ZINC000467053496 560902538 /nfs/dbraw/zinc/90/25/38/560902538.db2.gz JMUKSRGAVSADJC-UFBFGSQYSA-N -1 3 364.445 2.221 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000467416093 560909672 /nfs/dbraw/zinc/90/96/72/560909672.db2.gz GTJXILTUJFSRGV-UHFFFAOYSA-N -1 3 356.381 2.172 20 5 FEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000469076481 560946683 /nfs/dbraw/zinc/94/66/83/560946683.db2.gz VCVSMLRJFXYHJQ-UHFFFAOYSA-N -1 3 370.427 2.486 20 5 FEBDHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CCC1 ZINC000469342714 560952830 /nfs/dbraw/zinc/95/28/30/560952830.db2.gz VECOHXAGKOPRBP-UHFFFAOYSA-N -1 3 356.400 2.240 20 5 FEBDHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000472709526 561033570 /nfs/dbraw/zinc/03/35/70/561033570.db2.gz YNWWXKGVLSRLJB-PKRMOACSSA-N -1 3 368.333 2.219 20 5 FEBDHM Cc1cccc(F)c1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1 ZINC000475528550 561099502 /nfs/dbraw/zinc/09/95/02/561099502.db2.gz JYBFHIRDQZPPAR-UHFFFAOYSA-N -1 3 353.375 2.433 20 5 FEBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000530856878 562426402 /nfs/dbraw/zinc/42/64/02/562426402.db2.gz VZSFPYPJTFEUSS-UHFFFAOYSA-N -1 3 374.390 2.278 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1 ZINC000534405065 562533559 /nfs/dbraw/zinc/53/35/59/562533559.db2.gz OALQJRGIHVJIKZ-UHFFFAOYSA-N -1 3 362.411 2.092 20 5 FEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc([S@@](C)=O)cc1 ZINC000534409108 562533650 /nfs/dbraw/zinc/53/36/50/562533650.db2.gz NHLHJJBOEMRFDJ-PVBMHHQDSA-N -1 3 374.465 2.433 20 5 FEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000535512841 562560256 /nfs/dbraw/zinc/56/02/56/562560256.db2.gz ALIZQGVPLXYQNZ-UHFFFAOYSA-N -1 3 372.200 2.283 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000545934350 562631433 /nfs/dbraw/zinc/63/14/33/562631433.db2.gz DMLAHLPJIYTIOD-CYBMUJFWSA-N -1 3 367.452 2.430 20 5 FEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000546092632 562633541 /nfs/dbraw/zinc/63/35/41/562633541.db2.gz ZATWMDVFFMCLBQ-UHFFFAOYSA-N -1 3 372.406 2.400 20 5 FEBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000569601580 568409175 /nfs/dbraw/zinc/40/91/75/568409175.db2.gz YEBSUKKNNREQKT-UHFFFAOYSA-N -1 3 367.358 2.203 20 5 FEBDHM CN(C)CCOc1ccccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000570097514 568450629 /nfs/dbraw/zinc/45/06/29/568450629.db2.gz HGJAWGIMEBVFBK-UHFFFAOYSA-N -1 3 360.370 2.241 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737368576 599190311 /nfs/dbraw/zinc/19/03/11/599190311.db2.gz MRYUHWUIYRQVSR-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737368576 599190313 /nfs/dbraw/zinc/19/03/13/599190313.db2.gz MRYUHWUIYRQVSR-UHFFFAOYSA-N -1 3 356.317 2.152 20 5 FEBDHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823498587 607263223 /nfs/dbraw/zinc/26/32/23/607263223.db2.gz VLIYKWJZRWUOCZ-UHFFFAOYSA-N -1 3 371.744 2.026 20 5 FEBDHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823498587 607263224 /nfs/dbraw/zinc/26/32/24/607263224.db2.gz VLIYKWJZRWUOCZ-UHFFFAOYSA-N -1 3 371.744 2.026 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000738366956 599265709 /nfs/dbraw/zinc/26/57/09/599265709.db2.gz LEYBIWRWIRVMEO-NSHDSACASA-N -1 3 355.358 2.304 20 5 FEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000738366956 599265711 /nfs/dbraw/zinc/26/57/11/599265711.db2.gz LEYBIWRWIRVMEO-NSHDSACASA-N -1 3 355.358 2.304 20 5 FEBDHM C[C@H](Cn1cccn1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736082550 599271687 /nfs/dbraw/zinc/27/16/87/599271687.db2.gz VUFKUEBDKUUASJ-SNVBAGLBSA-N -1 3 365.357 2.020 20 5 FEBDHM C[C@H](Cn1cccn1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736082550 599271690 /nfs/dbraw/zinc/27/16/90/599271690.db2.gz VUFKUEBDKUUASJ-SNVBAGLBSA-N -1 3 365.357 2.020 20 5 FEBDHM C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736157149 598486125 /nfs/dbraw/zinc/48/61/25/598486125.db2.gz ZMEPZXQDLMXWSW-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736157149 598486126 /nfs/dbraw/zinc/48/61/26/598486126.db2.gz ZMEPZXQDLMXWSW-NSHDSACASA-N -1 3 369.337 2.458 20 5 FEBDHM CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000735489026 598497244 /nfs/dbraw/zinc/49/72/44/598497244.db2.gz SNKMEWDDPATHGI-UHFFFAOYSA-N -1 3 354.330 2.180 20 5 FEBDHM CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000735489026 598497245 /nfs/dbraw/zinc/49/72/45/598497245.db2.gz SNKMEWDDPATHGI-UHFFFAOYSA-N -1 3 354.330 2.180 20 5 FEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000736818676 598498358 /nfs/dbraw/zinc/49/83/58/598498358.db2.gz UJZNWFIDWSEYGZ-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000736818676 598498360 /nfs/dbraw/zinc/49/83/60/598498360.db2.gz UJZNWFIDWSEYGZ-UHFFFAOYSA-N -1 3 374.307 2.325 20 5 FEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000737986764 598572259 /nfs/dbraw/zinc/57/22/59/598572259.db2.gz OGKKAJFYWVUNNG-UHFFFAOYSA-N -1 3 363.337 2.368 20 5 FEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-c1nn[n-]n1 ZINC000737986764 598572261 /nfs/dbraw/zinc/57/22/61/598572261.db2.gz OGKKAJFYWVUNNG-UHFFFAOYSA-N -1 3 363.337 2.368 20 5 FEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738236259 598584719 /nfs/dbraw/zinc/58/47/19/598584719.db2.gz GZCBMDYBBQXLRP-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738236259 598584721 /nfs/dbraw/zinc/58/47/21/598584721.db2.gz GZCBMDYBBQXLRP-UHFFFAOYSA-N -1 3 361.264 2.410 20 5 FEBDHM CCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736505980 599311863 /nfs/dbraw/zinc/31/18/63/599311863.db2.gz WBJLENMAOTUAPG-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM CCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736505980 599311866 /nfs/dbraw/zinc/31/18/66/599311866.db2.gz WBJLENMAOTUAPG-UHFFFAOYSA-N -1 3 352.354 2.371 20 5 FEBDHM COc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000821778120 599331865 /nfs/dbraw/zinc/33/18/65/599331865.db2.gz UTOIXBAUWIWXBU-MRVPVSSYSA-N -1 3 359.321 2.491 20 5 FEBDHM COc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000821778120 599331867 /nfs/dbraw/zinc/33/18/67/599331867.db2.gz UTOIXBAUWIWXBU-MRVPVSSYSA-N -1 3 359.321 2.491 20 5 FEBDHM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389847 599507179 /nfs/dbraw/zinc/50/71/79/599507179.db2.gz ABXMFSCOGDRKDJ-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389847 599507182 /nfs/dbraw/zinc/50/71/82/599507182.db2.gz ABXMFSCOGDRKDJ-SECBINFHSA-N -1 3 356.317 2.405 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737801031 599546686 /nfs/dbraw/zinc/54/66/86/599546686.db2.gz RPHUTNQQEVSXOU-HJWRWDBZSA-N -1 3 362.349 2.377 20 5 FEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737801031 599546688 /nfs/dbraw/zinc/54/66/88/599546688.db2.gz RPHUTNQQEVSXOU-HJWRWDBZSA-N -1 3 362.349 2.377 20 5 FEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000826428369 607426388 /nfs/dbraw/zinc/42/63/88/607426388.db2.gz AGGCSKQRGKJVCD-UHFFFAOYSA-N -1 3 356.367 2.256 20 5 FEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000826428369 607426390 /nfs/dbraw/zinc/42/63/90/607426390.db2.gz AGGCSKQRGKJVCD-UHFFFAOYSA-N -1 3 356.367 2.256 20 5 FEBDHM O=C([O-])[C@H](c1ccccc1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833173863 601013218 /nfs/dbraw/zinc/01/32/18/601013218.db2.gz WYOAWSHXLROBAI-ZBEGNZNMSA-N -1 3 360.345 2.441 20 5 FEBDHM Cc1c(NC(=O)CCN2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740048453 601974436 /nfs/dbraw/zinc/97/44/36/601974436.db2.gz HVKAGZOLJVTGCB-ZDUSSCGKSA-N -1 3 364.402 2.306 20 5 FEBDHM Cn1ccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809833689 674514486 /nfs/dbraw/zinc/51/44/86/674514486.db2.gz WIIULVGWGWRILA-UHFFFAOYSA-N -1 3 365.198 2.114 20 5 FEBDHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809835037 674514709 /nfs/dbraw/zinc/51/47/09/674514709.db2.gz HGSPCLKIGHQAMU-UHFFFAOYSA-N -1 3 367.830 2.396 20 5 FEBDHM O=C([O-])/C=C\c1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000833196184 604627673 /nfs/dbraw/zinc/62/76/73/604627673.db2.gz NWMZOJXOYRLLSG-HKLWWIALSA-N -1 3 361.398 2.358 20 5 FEBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000834181892 605328813 /nfs/dbraw/zinc/32/88/13/605328813.db2.gz MQTWBJXKESUGRJ-KCPJHIHWSA-N -1 3 359.386 2.270 20 5 FEBDHM COc1ccc([C@@H](CCO)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821778233 606101527 /nfs/dbraw/zinc/10/15/27/606101527.db2.gz WYGIAHPGVDUMKS-CQSZACIVSA-N -1 3 370.369 2.319 20 5 FEBDHM COc1ccc([C@@H](CCO)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821778233 606101529 /nfs/dbraw/zinc/10/15/29/606101529.db2.gz WYGIAHPGVDUMKS-CQSZACIVSA-N -1 3 370.369 2.319 20 5 FEBDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820995905 606420891 /nfs/dbraw/zinc/42/08/91/606420891.db2.gz ZZAQHYQBHVHXCB-UONOGXRCSA-N -1 3 373.417 2.001 20 5 FEBDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820995905 606420893 /nfs/dbraw/zinc/42/08/93/606420893.db2.gz ZZAQHYQBHVHXCB-UONOGXRCSA-N -1 3 373.417 2.001 20 5 FEBDHM O=[N+]([O-])c1ncccc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823651770 606643146 /nfs/dbraw/zinc/64/31/46/606643146.db2.gz PKNUWEGAOHTCNR-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM O=[N+]([O-])c1ncccc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823651770 606643147 /nfs/dbraw/zinc/64/31/47/606643147.db2.gz PKNUWEGAOHTCNR-UHFFFAOYSA-N -1 3 366.385 2.251 20 5 FEBDHM COc1cccc2c1OC[C@@H](Nc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)C2 ZINC000821877370 606645373 /nfs/dbraw/zinc/64/53/73/606645373.db2.gz HKTVXIBELAYLRD-LBPRGKRZSA-N -1 3 368.353 2.199 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823223543 606673129 /nfs/dbraw/zinc/67/31/29/606673129.db2.gz CJVYEFVFKMHAIU-UHFFFAOYSA-N -1 3 374.307 2.026 20 5 FEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823223543 606673130 /nfs/dbraw/zinc/67/31/30/606673130.db2.gz CJVYEFVFKMHAIU-UHFFFAOYSA-N -1 3 374.307 2.026 20 5 FEBDHM C[C@@]1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820636084 606728806 /nfs/dbraw/zinc/72/88/06/606728806.db2.gz QAWKXEQYDGEXFI-QGZVFWFLSA-N -1 3 351.370 2.338 20 5 FEBDHM C[C@@]1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820636084 606728807 /nfs/dbraw/zinc/72/88/07/606728807.db2.gz QAWKXEQYDGEXFI-QGZVFWFLSA-N -1 3 351.370 2.338 20 5 FEBDHM COC(=O)Cc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821663660 606878143 /nfs/dbraw/zinc/87/81/43/606878143.db2.gz IRBZMBVRDUJIRM-UHFFFAOYSA-N -1 3 354.326 2.234 20 5 FEBDHM COC(=O)Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821663660 606878144 /nfs/dbraw/zinc/87/81/44/606878144.db2.gz IRBZMBVRDUJIRM-UHFFFAOYSA-N -1 3 354.326 2.234 20 5 FEBDHM COC(=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821663559 606878373 /nfs/dbraw/zinc/87/83/73/606878373.db2.gz CNSGBICQXUMGBN-UHFFFAOYSA-N -1 3 354.326 2.234 20 5 FEBDHM COC(=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821663559 606878374 /nfs/dbraw/zinc/87/83/74/606878374.db2.gz CNSGBICQXUMGBN-UHFFFAOYSA-N -1 3 354.326 2.234 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823112091 607002801 /nfs/dbraw/zinc/00/28/01/607002801.db2.gz SRAFVSRFMQBNPJ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823112091 607002803 /nfs/dbraw/zinc/00/28/03/607002803.db2.gz SRAFVSRFMQBNPJ-UHFFFAOYSA-N -1 3 357.301 2.200 20 5 FEBDHM NC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000822885434 607125276 /nfs/dbraw/zinc/12/52/76/607125276.db2.gz PFSAYICDWNJMRW-UHFFFAOYSA-N -1 3 373.760 2.139 20 5 FEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823451010 607245139 /nfs/dbraw/zinc/24/51/39/607245139.db2.gz SFJCTSGBLLNWEP-UHFFFAOYSA-N -1 3 365.227 2.411 20 5 FEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823451010 607245140 /nfs/dbraw/zinc/24/51/40/607245140.db2.gz SFJCTSGBLLNWEP-UHFFFAOYSA-N -1 3 365.227 2.411 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826211996 607790305 /nfs/dbraw/zinc/79/03/05/607790305.db2.gz CREHVHMQYVREQD-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826211996 607790306 /nfs/dbraw/zinc/79/03/06/607790306.db2.gz CREHVHMQYVREQD-UHFFFAOYSA-N -1 3 354.326 2.060 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccc(F)c(F)c1 ZINC000826499522 607876794 /nfs/dbraw/zinc/87/67/94/607876794.db2.gz MAIOTDRXQUAMDS-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccc(F)c(F)c1 ZINC000826499522 607876795 /nfs/dbraw/zinc/87/67/95/607876795.db2.gz MAIOTDRXQUAMDS-ZDUSSCGKSA-N -1 3 363.280 2.166 20 5 FEBDHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824677087 607967977 /nfs/dbraw/zinc/96/79/77/607967977.db2.gz BBPQCTLITUIPMT-MRXNPFEDSA-N -1 3 358.333 2.234 20 5 FEBDHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824677087 607967978 /nfs/dbraw/zinc/96/79/78/607967978.db2.gz BBPQCTLITUIPMT-MRXNPFEDSA-N -1 3 358.333 2.234 20 5 FEBDHM Cc1nn(C)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1[N+](=O)[O-] ZINC000826334198 608442120 /nfs/dbraw/zinc/44/21/20/608442120.db2.gz LEEKOVVZGFQPIG-UHFFFAOYSA-N -1 3 366.385 2.111 20 5 FEBDHM Cc1nn(C)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000826334198 608442121 /nfs/dbraw/zinc/44/21/21/608442121.db2.gz LEEKOVVZGFQPIG-UHFFFAOYSA-N -1 3 366.385 2.111 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCCF)c1 ZINC000812515475 674681400 /nfs/dbraw/zinc/68/14/00/674681400.db2.gz HDDQUJVTOKFNRM-UHFFFAOYSA-N -1 3 355.185 2.385 20 5 FEBDHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010723 674895151 /nfs/dbraw/zinc/89/51/51/674895151.db2.gz XEPSYVYGMAFLMO-VIFPVBQESA-N -1 3 367.830 2.396 20 5 FEBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113301004 670883601 /nfs/dbraw/zinc/88/36/01/670883601.db2.gz XTXHQXMAXUMPIO-LBPRGKRZSA-N -1 3 359.423 2.277 20 5 FEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000158074129 672265819 /nfs/dbraw/zinc/26/58/19/672265819.db2.gz KACMZHNUNYBFBY-UHFFFAOYSA-N -1 3 361.173 2.429 20 5 FEBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1O ZINC000588098270 672449417 /nfs/dbraw/zinc/44/94/17/672449417.db2.gz LETWLCRFUSMCSQ-UHFFFAOYSA-N -1 3 367.701 2.093 20 5 FEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589922767 672547884 /nfs/dbraw/zinc/54/78/84/672547884.db2.gz NUDABNPNFOZVJC-SKDRFNHKSA-N -1 3 368.333 2.027 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c(F)c1 ZINC000612173465 676071935 /nfs/dbraw/zinc/07/19/35/676071935.db2.gz UMIUSERGENRJCN-LLVKDONJSA-N -1 3 374.296 2.424 20 5 FEBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000593596695 672954446 /nfs/dbraw/zinc/95/44/46/672954446.db2.gz SVZHHAWEMNPZMS-CYBMUJFWSA-N -1 3 371.440 2.089 20 5 FEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCN1CCCCCC1 ZINC000725821729 673092748 /nfs/dbraw/zinc/09/27/48/673092748.db2.gz KOCCAPKGBSWRDI-UHFFFAOYSA-N -1 3 361.851 2.403 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000594802121 673148130 /nfs/dbraw/zinc/14/81/30/673148130.db2.gz UYZKTLBEMVYDPS-LLVKDONJSA-N -1 3 368.333 2.053 20 5 FEBDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595353998 673231240 /nfs/dbraw/zinc/23/12/40/673231240.db2.gz OOGBFIZOHOTXNG-HOTGVXAUSA-N -1 3 365.411 2.026 20 5 FEBDHM CC(=O)N(c1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])s1)C1CC1 ZINC000596067693 673355597 /nfs/dbraw/zinc/35/55/97/673355597.db2.gz QIBBKPWOXLGPJA-UHFFFAOYSA-N -1 3 353.385 2.213 20 5 FEBDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000542238194 673568780 /nfs/dbraw/zinc/56/87/80/673568780.db2.gz NUYDDAULGPNCJY-LLVKDONJSA-N -1 3 372.374 2.253 20 5 FEBDHM CCCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1=O ZINC000742028079 673704199 /nfs/dbraw/zinc/70/41/99/673704199.db2.gz PSVJLHKIUQIONF-UHFFFAOYSA-N -1 3 369.374 2.415 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356977 673847585 /nfs/dbraw/zinc/84/75/85/673847585.db2.gz KBOCEUZYJRIFQM-WCQGTBRESA-N -1 3 360.457 2.447 20 5 FEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c(F)c1 ZINC000618180053 676323320 /nfs/dbraw/zinc/32/33/20/676323320.db2.gz JLIRBTLQQQSATM-LBPRGKRZSA-N -1 3 366.370 2.275 20 5 FEBDHM CN(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840952568 680856598 /nfs/dbraw/zinc/85/65/98/680856598.db2.gz PBRDPLTUANMAGO-QWRGUYRKSA-N -1 3 365.814 2.148 20 5 FEBDHM Cc1cc(F)cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1[N+](=O)[O-] ZINC000752553242 680248698 /nfs/dbraw/zinc/24/86/98/680248698.db2.gz JYHWIKKNSFXWFV-UHFFFAOYSA-N -1 3 366.326 2.217 20 5 FEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)c(C)n2)cc1[N+](=O)[O-] ZINC000767843597 680929447 /nfs/dbraw/zinc/92/94/47/680929447.db2.gz HMZLXFYDOLSVFY-VIFPVBQESA-N -1 3 371.440 2.200 20 5 FEBDHM CN(C)c1nc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)cs1 ZINC000848588012 681584147 /nfs/dbraw/zinc/58/41/47/681584147.db2.gz OFKRGRALLSLROM-UHFFFAOYSA-N -1 3 372.353 2.405 20 5 FEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821668 682148357 /nfs/dbraw/zinc/14/83/57/682148357.db2.gz WVFJGLLWNXFNJQ-VIFPVBQESA-N -1 3 365.814 2.150 20 5 FEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000920924891 683378942 /nfs/dbraw/zinc/37/89/42/683378942.db2.gz RMDBVDGOIXQLNR-VXNVDRBHSA-N -1 3 374.362 2.353 20 5 FEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000921618136 683522501 /nfs/dbraw/zinc/52/25/01/683522501.db2.gz TWKNZBQZJWCYCR-POYBYMJQSA-N -1 3 372.296 2.219 20 5 FEBDHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000800051591 683525347 /nfs/dbraw/zinc/52/53/47/683525347.db2.gz OPAJAAQZFJTYFF-UHFFFAOYSA-N -1 3 367.358 2.203 20 5 FEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921862386 683598824 /nfs/dbraw/zinc/59/88/24/683598824.db2.gz QTJMFIVSRGORRQ-SKDRFNHKSA-N -1 3 368.333 2.149 20 5 FEBDHM COc1c([O-])ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1[N+](=O)[O-] ZINC000894404565 689525399 /nfs/dbraw/zinc/52/53/99/689525399.db2.gz FUUHOSJJPSRXDR-LDYMZIIASA-N -1 3 350.293 2.461 20 5 FEBDHM